Fluorine in PDB 8u2m: Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide

The structure of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide, PDB code: 8u2m was solved by M.H.Hansen, M.J.Cryle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.80 / 1.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.674, 95.607, 105.763, 90, 92.71, 90
R / Rfree (%)	19.9 / 22.9

The structure of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide also contains other interesting chemical elements:

Iron	(Fe)	3 atoms
Sodium	(Na)	5 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide (pdb code 8u2m). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide, PDB code: 8u2m:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide within 5.0Å range: probe atom residue distance (Å) B Occ B:F406 b:51.8 occ:1.00 F1 B:TFA406 0.0 51.8 1.0 C2 B:TFA406 1.4 64.1 1.0 F3 B:TFA406 2.2 58.2 1.0 F2 B:TFA406 2.2 56.4 1.0 C1 B:TFA406 2.4 59.6 1.0 HB3 B:HIS254 2.4 31.9 1.0 HD13 B:LEU257 2.5 32.3 1.0 HG B:LEU257 2.5 28.1 1.0 HB2 B:HIS254 2.7 31.9 1.0 O B:TFA406 2.7 32.4 1.0 HD21 B:LEU257 2.8 30.4 1.0 CB B:HIS254 2.9 26.5 1.0 CG B:LEU257 3.1 23.4 1.0 CD1 B:LEU257 3.1 26.9 1.0 CG B:HIS254 3.2 27.9 1.0 HD11 B:LEU257 3.4 32.3 1.0 CD2 B:LEU257 3.4 25.3 1.0 OXT B:TFA406 3.4 46.3 1.0 ND1 B:HIS254 3.7 31.5 1.0 HD23 B:LEU257 3.8 30.4 1.0 CD2 B:HIS254 3.9 31.4 1.0 HD12 B:LEU257 4.0 32.3 1.0 HG2 B:ARG250 4.0 23.1 1.0 HD2 B:HIS254 4.1 37.6 1.0 HB2 C:PRO178 4.2 42.2 1.0 HD22 B:LEU257 4.2 30.4 1.0 HD3 B:ARG250 4.2 28.9 1.0 HG2 B:GLU256 4.2 40.9 1.0 HB3 C:ALA179 4.2 41.2 1.0 HA C:ALA179 4.3 37.4 1.0 O B:HIS254 4.3 28.8 1.0 CA B:HIS254 4.3 26.2 1.0 OE2 B:GLU256 4.3 39.0 1.0 HB2 C:ALA179 4.5 41.2 1.0 HG3 B:ARG250 4.5 23.1 1.0 CE1 B:HIS254 4.5 36.2 1.0 CB B:LEU257 4.5 26.1 1.0 NE2 B:HIS254 4.6 40.1 1.0 HG23 B:VAL325 4.6 36.6 1.0 HG22 B:VAL325 4.6 36.6 1.0 CG B:ARG250 4.6 19.2 1.0 HH11 B:ARG250 4.7 29.8 1.0 H B:LEU257 4.7 30.8 1.0 HB B:VAL325 4.7 27.8 1.0 CB C:ALA179 4.7 34.4 1.0 HA B:HIS254 4.7 31.5 1.0 HB2 B:LEU257 4.7 31.3 1.0 H C:ALA179 4.7 41.2 1.0 N C:ALA179 4.8 34.3 1.0 CD B:GLU256 4.8 33.1 1.0 CA C:ALA179 4.8 31.2 1.0 C B:HIS254 4.8 26.8 1.0 CD B:ARG250 4.9 24.1 1.0 CG B:GLU256 4.9 34.0 1.0

Fluorine binding site 2 out of 12 in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide within 5.0Å range: probe atom residue distance (Å) B Occ B:F406 b:56.4 occ:1.00 F2 B:TFA406 0.0 56.4 1.0 C2 B:TFA406 1.4 64.1 1.0 F1 B:TFA406 2.2 51.8 1.0 F3 B:TFA406 2.3 58.2 1.0 C1 B:TFA406 2.3 59.6 1.0 HB2 C:ALA179 2.6 41.2 1.0 ND1 B:HIS254 2.8 31.5 1.0 O B:TFA406 2.9 32.4 1.0 HB3 C:ALA179 3.0 41.2 1.0 CG B:HIS254 3.1 27.9 1.0 CB C:ALA179 3.1 34.4 1.0 CE1 B:HIS254 3.1 36.2 1.0 HA C:ALA179 3.2 37.4 1.0 OXT B:TFA406 3.2 46.3 1.0 HB3 B:HIS254 3.4 31.9 1.0 HE1 B:HIS254 3.5 43.5 1.0 CD2 B:HIS254 3.6 31.4 1.0 NE2 B:HIS254 3.6 40.1 1.0 CA C:ALA179 3.7 31.2 1.0 CB B:HIS254 3.7 26.5 1.0 HB2 B:HIS254 4.0 31.9 1.0 HB1 C:ALA179 4.0 41.2 1.0 HE2 B:HIS254 4.1 48.2 1.0 HD2 B:HIS254 4.2 37.6 1.0 OE2 B:GLU256 4.2 39.0 1.0 N C:ALA179 4.3 34.3 1.0 H C:ALA179 4.3 41.2 1.0 HD13 B:LEU257 4.6 32.3 1.0 HD21 B:LEU257 4.7 30.4 1.0 HG B:LEU257 4.7 28.1 1.0 HH11 B:ARG250 4.9 29.8 1.0 O B:HOH598 4.9 33.6 1.0 C C:ALA179 5.0 36.9 1.0

Fluorine binding site 3 out of 12 in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide within 5.0Å range: probe atom residue distance (Å) B Occ B:F406 b:58.2 occ:1.00 F3 B:TFA406 0.0 58.2 1.0 C2 B:TFA406 1.4 64.1 1.0 F1 B:TFA406 2.2 51.8 1.0 F2 B:TFA406 2.3 56.4 1.0 HB3 C:ALA179 2.3 41.2 1.0 C1 B:TFA406 2.4 59.6 1.0 H C:ALA179 2.6 41.2 1.0 OXT B:TFA406 2.6 46.3 1.0 N C:ALA179 2.7 34.3 1.0 HA C:ALA179 2.8 37.4 1.0 CB C:ALA179 2.9 34.4 1.0 CA C:ALA179 2.9 31.2 1.0 HB2 C:ALA179 3.1 41.2 1.0 HD21 B:LEU257 3.1 30.4 1.0 HB2 C:PRO178 3.1 42.2 1.0 O B:HOH598 3.3 33.6 1.0 O B:TFA406 3.5 32.4 1.0 C C:PRO178 3.5 39.5 1.0 HB B:VAL325 3.8 27.8 1.0 HB1 C:ALA179 3.8 41.2 1.0 HD23 B:LEU257 3.8 30.4 1.0 CD2 B:LEU257 3.8 25.3 1.0 HG B:LEU257 3.8 28.1 1.0 CB C:PRO178 4.0 35.2 1.0 HB3 B:HIS254 4.1 31.9 1.0 HD2 C:PRO178 4.1 37.8 1.0 CA C:PRO178 4.2 38.8 1.0 HD13 B:LEU257 4.2 32.3 1.0 O C:PRO178 4.2 35.4 1.0 CG B:LEU257 4.3 23.4 1.0 C C:ALA179 4.5 36.9 1.0 N C:PRO178 4.5 35.2 1.0 H B:VAL325 4.5 35.5 1.0 HG22 B:VAL325 4.6 36.6 1.0 HG2 B:GLU256 4.6 40.9 1.0 HB3 C:PRO178 4.6 42.2 1.0 HD22 B:LEU257 4.6 30.4 1.0 OE2 B:GLU256 4.6 39.0 1.0 CD C:PRO178 4.6 31.5 1.0 ND1 B:HIS254 4.7 31.5 1.0 CB B:VAL325 4.7 23.2 1.0 CB B:HIS254 4.7 26.5 1.0 CG B:HIS254 4.8 27.9 1.0 HG2 C:PRO178 4.8 38.5 1.0 CG C:PRO178 4.8 32.1 1.0 CD1 B:LEU257 4.8 26.9 1.0 HB2 B:HIS254 4.8 31.9 1.0 HG23 B:VAL325 4.8 36.6 1.0 HG3 B:GLU256 4.9 40.9 1.0 CG2 B:VAL325 4.9 30.5 1.0

Fluorine binding site 4 out of 12 in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide within 5.0Å range: probe atom residue distance (Å) B Occ B:F407 b:47.8 occ:1.00 F1 B:TFA407 0.0 47.8 1.0 C2 B:TFA407 1.4 62.1 1.0 F2 B:TFA407 2.2 56.2 1.0 F3 B:TFA407 2.2 54.7 1.0 C1 B:TFA407 2.3 68.8 1.0 HD12 B:LEU258 2.8 38.9 1.0 O B:TFA407 2.9 62.9 1.0 HD13 B:LEU258 3.0 38.9 1.0 OXT B:TFA407 3.2 42.9 1.0 HD13 B:LEU361 3.2 30.3 1.0 CD1 B:LEU258 3.3 32.4 1.0 HD21 B:LEU361 3.3 39.6 1.0 HB3 B:LEU251 3.3 22.5 1.0 HD11 B:LEU258 3.7 38.9 1.0 HB3 B:LEU361 3.7 21.2 1.0 CD1 B:LEU361 4.1 25.2 1.0 HA B:VAL252 4.1 26.4 1.0 HD11 B:LEU368 4.1 42.3 1.0 HB2 B:LEU251 4.1 22.5 1.0 CB B:LEU251 4.1 18.7 1.0 CD2 B:LEU361 4.2 33.0 1.0 HB3 B:PRO255 4.2 35.9 1.0 O B:LEU251 4.2 22.5 1.0 HD13 B:LEU251 4.2 23.8 1.0 HB2 B:LEU368 4.3 36.6 1.0 HA B:PRO255 4.4 37.8 1.0 C B:LEU251 4.4 22.0 1.0 HD23 B:LEU361 4.4 39.6 1.0 HG13 B:VAL252 4.4 33.1 1.0 CG B:LEU361 4.5 23.0 1.0 HD11 B:LEU361 4.5 30.3 1.0 CB B:LEU361 4.5 17.6 1.0 HG11 B:VAL252 4.5 33.1 1.0 H B:LEU368 4.6 35.8 1.0 CG B:LEU258 4.6 33.5 1.0 HG B:LEU258 4.7 40.2 1.0 HD12 B:LEU361 4.7 30.3 1.0 N B:VAL252 4.7 19.4 1.0 HH11 B:ARG367 4.8 39.8 1.0 HG B:LEU368 4.8 36.2 1.0 CA B:VAL252 4.9 22.0 1.0 HD22 B:LEU361 4.9 39.6 1.0 HB2 B:LEU361 4.9 21.2 1.0 CA B:LEU251 4.9 21.1 1.0 CG1 B:VAL252 4.9 27.6 1.0 CD1 B:LEU251 5.0 19.8 1.0 CB B:PRO255 5.0 29.9 1.0

Fluorine binding site 5 out of 12 in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide within 5.0Å range: probe atom residue distance (Å) B Occ B:F407 b:56.2 occ:1.00 F2 B:TFA407 0.0 56.2 1.0 C2 B:TFA407 1.4 62.1 1.0 F1 B:TFA407 2.2 47.8 1.0 F3 B:TFA407 2.2 54.7 1.0 C1 B:TFA407 2.4 68.8 1.0 OXT B:TFA407 2.6 42.9 1.0 HD11 B:LEU368 2.6 42.3 1.0 HG B:LEU368 2.7 36.2 1.0 HD21 B:LEU361 2.7 39.6 1.0 HB2 B:LEU368 2.9 36.6 1.0 H B:LEU368 3.0 35.8 1.0 CG B:LEU368 3.2 30.2 1.0 CD1 B:LEU368 3.3 35.2 1.0 O B:TFA407 3.5 62.9 1.0 CB B:LEU368 3.5 30.5 1.0 HD13 B:LEU368 3.6 42.3 1.0 CD2 B:LEU361 3.6 33.0 1.0 O B:LEU366 3.7 39.1 1.0 N B:LEU368 3.7 29.8 1.0 HD23 B:LEU361 3.9 39.6 1.0 HB3 B:LEU361 4.0 21.2 1.0 HD22 B:LEU361 4.0 39.6 1.0 HD12 B:LEU368 4.1 42.3 1.0 HG13 B:VAL252 4.1 33.1 1.0 HA B:ARG367 4.2 38.0 1.0 HD13 B:LEU361 4.2 30.3 1.0 CA B:LEU368 4.2 29.6 1.0 HB3 B:LEU368 4.3 36.6 1.0 O B:HOH542 4.4 26.8 1.0 HH11 B:ARG367 4.4 39.8 1.0 CG B:LEU361 4.6 23.0 1.0 HD12 B:LEU258 4.6 38.9 1.0 CD2 B:LEU368 4.7 34.8 1.0 C B:ARG367 4.7 36.0 1.0 C B:LEU366 4.7 36.7 1.0 HD13 B:LEU258 4.8 38.9 1.0 CB B:LEU361 4.8 17.6 1.0 HA B:VAL252 4.8 26.4 1.0 HD2 B:ARG367 4.8 57.8 1.0 CA B:ARG367 4.8 31.6 1.0 CD1 B:LEU361 4.9 25.2 1.0 HD11 B:LEU122 4.9 33.9 1.0 O B:LEU368 4.9 36.5 1.0 HD22 B:LEU368 4.9 41.8 1.0 HG11 B:VAL252 4.9 33.1 1.0 HD21 B:LEU368 4.9 41.8 1.0 CG1 B:VAL252 5.0 27.6 1.0 HB2 B:LEU366 5.0 35.3 1.0 HA B:LEU368 5.0 35.5 1.0

Fluorine binding site 6 out of 12 in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide within 5.0Å range: probe atom residue distance (Å) B Occ B:F407 b:54.7 occ:1.00 F3 B:TFA407 0.0 54.7 1.0 C2 B:TFA407 1.4 62.1 1.0 F2 B:TFA407 2.2 56.2 1.0 F1 B:TFA407 2.2 47.8 1.0 C1 B:TFA407 2.4 68.8 1.0 HB3 B:LEU361 2.5 21.2 1.0 HD21 B:LEU361 2.7 39.6 1.0 O B:TFA407 2.8 62.9 1.0 HD11 B:LEU258 3.0 38.9 1.0 HD13 B:LEU258 3.2 38.9 1.0 HD12 B:LEU258 3.2 38.9 1.0 CD1 B:LEU258 3.3 32.4 1.0 OXT B:TFA407 3.4 42.9 1.0 CB B:LEU361 3.4 17.6 1.0 CD2 B:LEU361 3.6 33.0 1.0 HD13 B:LEU361 3.7 30.3 1.0 O B:LEU361 3.7 26.8 1.0 O B:HOH542 3.8 26.8 1.0 O B:LEU366 3.9 39.1 1.0 CG B:LEU361 4.0 23.0 1.0 HD22 B:LEU361 4.0 39.6 1.0 HA B:LEU361 4.0 22.9 1.0 C B:LEU361 4.0 22.7 1.0 HB2 B:LEU361 4.0 21.2 1.0 CA B:LEU361 4.1 19.1 1.0 HD23 B:LEU361 4.3 39.6 1.0 CD1 B:LEU361 4.3 25.2 1.0 HD11 B:LEU368 4.6 42.3 1.0 HG B:LEU368 4.6 36.2 1.0 H B:LEU368 4.6 35.8 1.0 CG B:LEU258 4.8 33.5 1.0 HA B:ARG367 4.8 38.0 1.0 N B:ARG362 4.9 24.1 1.0 HG B:LEU361 4.9 27.6 1.0 HD12 B:LEU361 4.9 30.3 1.0 HA B:ARG362 4.9 35.1 1.0 HD11 B:LEU361 5.0 30.3 1.0

Fluorine binding site 7 out of 12 in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide within 5.0Å range: probe atom residue distance (Å) B Occ C:F402 b:55.7 occ:1.00 F1 C:TFA402 0.0 55.7 1.0 C2 C:TFA402 1.4 67.1 1.0 F3 C:TFA402 2.2 54.8 1.0 F2 C:TFA402 2.2 48.1 1.0 C1 C:TFA402 2.3 54.6 1.0 ND1 C:HIS254 2.5 42.6 1.0 HD1 C:HIS254 2.7 51.1 1.0 CG C:HIS254 2.8 37.3 1.0 CE1 C:HIS254 2.9 49.7 1.0 O C:TFA402 3.0 33.5 1.0 HB3 C:HIS254 3.1 41.4 1.0 OXT C:TFA402 3.2 29.5 1.0 CD2 C:HIS254 3.3 46.8 1.0 HE1 C:HIS254 3.3 59.6 1.0 NE2 C:HIS254 3.4 46.8 1.0 CB C:HIS254 3.5 34.5 1.0 HB2 C:HIS254 3.7 41.4 1.0 HD2 C:HIS254 4.0 56.1 1.0 OE2 C:GLU256 4.0 51.0 1.0 HG C:LEU257 4.3 48.4 1.0 HD22 C:LEU257 4.5 41.1 1.0 HD12 C:LEU257 4.6 43.1 1.0 HH11 C:ARG250 4.7 32.9 1.0 O C:HOH554 4.8 24.4 1.0 CA C:HIS254 4.9 35.0 1.0 HD13 C:LEU257 4.9 43.1 1.0 CD C:GLU256 4.9 45.7 1.0 HA C:HIS254 4.9 42.0 1.0 HG2 C:GLU256 4.9 57.9 1.0 O C:HOH504 5.0 37.9 1.0 CG C:LEU257 5.0 40.3 1.0

Fluorine binding site 8 out of 12 in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide within 5.0Å range: probe atom residue distance (Å) B Occ C:F402 b:48.1 occ:1.00 F2 C:TFA402 0.0 48.1 1.0 C2 C:TFA402 1.4 67.1 1.0 F3 C:TFA402 2.2 54.8 1.0 F1 C:TFA402 2.2 55.7 1.0 C1 C:TFA402 2.4 54.6 1.0 OXT C:TFA402 2.7 29.5 1.0 HD22 C:LEU257 2.9 41.1 1.0 O C:HOH554 3.3 24.4 1.0 HG C:LEU257 3.5 48.4 1.0 O C:TFA402 3.5 33.5 1.0 HB C:VAL325 3.6 25.5 1.0 CD2 C:LEU257 3.6 34.3 1.0 HD21 C:LEU257 3.6 41.1 1.0 HB3 C:HIS254 3.9 41.4 1.0 HG22 C:VAL325 4.0 35.4 1.0 CG C:LEU257 4.0 40.3 1.0 HD12 C:LEU257 4.1 43.1 1.0 H C:VAL325 4.3 29.4 1.0 HG2 C:GLU256 4.3 57.9 1.0 HD1 C:HIS254 4.4 51.1 1.0 HD23 C:LEU257 4.4 41.1 1.0 CB C:VAL325 4.5 21.2 1.0 ND1 C:HIS254 4.5 42.6 1.0 CD1 C:LEU257 4.5 36.0 1.0 CB C:HIS254 4.5 34.5 1.0 CG C:HIS254 4.6 37.3 1.0 OE2 C:GLU256 4.6 51.0 1.0 HG3 C:GLU256 4.6 57.9 1.0 HB2 C:HIS254 4.6 41.4 1.0 CG2 C:VAL325 4.6 29.5 1.0 HD13 C:LEU257 4.8 43.1 1.0 CG C:GLU256 4.9 48.3 1.0 HG21 C:VAL325 5.0 35.4 1.0

Fluorine binding site 9 out of 12 in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide within 5.0Å range: probe atom residue distance (Å) B Occ C:F402 b:54.8 occ:1.00 F3 C:TFA402 0.0 54.8 1.0 C2 C:TFA402 1.4 67.1 1.0 F2 C:TFA402 2.2 48.1 1.0 F1 C:TFA402 2.2 55.7 1.0 C1 C:TFA402 2.3 54.6 1.0 HD12 C:LEU257 2.4 43.1 1.0 HG C:LEU257 2.6 48.4 1.0 HD22 C:LEU257 2.7 41.1 1.0 O C:TFA402 2.7 33.5 1.0 HB3 C:HIS254 2.8 41.4 1.0 HB2 C:HIS254 2.8 41.4 1.0 HD13 C:LEU257 2.9 43.1 1.0 CD1 C:LEU257 2.9 36.0 1.0 CG C:LEU257 3.0 40.3 1.0 CB C:HIS254 3.1 34.5 1.0 CD2 C:LEU257 3.3 34.3 1.0 CG C:HIS254 3.3 37.3 1.0 OXT C:TFA402 3.4 29.5 1.0 HG22 C:VAL325 3.5 35.4 1.0 HG2 C:ARG250 3.5 34.1 1.0 HD3 C:ARG250 3.6 25.0 1.0 CD2 C:HIS254 3.8 46.8 1.0 HD21 C:LEU257 3.8 41.1 1.0 HD11 C:LEU257 3.8 43.1 1.0 ND1 C:HIS254 3.9 42.6 1.0 HD2 C:HIS254 4.0 56.1 1.0 HG3 C:ARG250 4.0 34.1 1.0 HD23 C:LEU257 4.0 41.1 1.0 CG C:ARG250 4.1 28.5 1.0 HD1 C:HIS254 4.1 51.1 1.0 HH11 C:ARG250 4.1 32.9 1.0 CD C:ARG250 4.3 20.9 1.0 HB C:VAL325 4.3 25.5 1.0 CG2 C:VAL325 4.4 29.5 1.0 CB C:LEU257 4.5 37.4 1.0 NE2 C:HIS254 4.5 46.8 1.0 CE1 C:HIS254 4.5 49.7 1.0 O C:HIS254 4.6 35.7 1.0 CA C:HIS254 4.6 35.0 1.0 HG2 C:GLU256 4.6 57.9 1.0 HD2 C:ARG250 4.7 25.0 1.0 HB2 C:LEU257 4.7 44.9 1.0 HG21 C:VAL325 4.8 35.4 1.0 OE2 C:GLU256 4.9 51.0 1.0 H C:LEU257 4.9 44.6 1.0 CB C:VAL325 4.9 21.2 1.0 O C:ARG250 5.0 32.0 1.0 NH1 C:ARG250 5.0 27.4 1.0 H C:VAL325 5.0 29.4 1.0 HB3 C:LEU257 5.0 44.9 1.0

Fluorine binding site 10 out of 12 in the Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide within 5.0Å range: probe atom residue distance (Å) B Occ C:F403 b:96.9 occ:1.00 F1 C:TFA403 0.0 96.9 1.0 C2 C:TFA403 1.4 104.2 1.0 F3 C:TFA403 2.2 81.8 1.0 F2 C:TFA403 2.3 88.5 1.0 C1 C:TFA403 2.3 99.4 1.0 HE C:ARG230 2.4 57.5 1.0 O C:TFA403 2.6 88.6 1.0 HA C:ALA231 2.7 45.7 1.0 HG2 C:ARG230 2.9 56.1 1.0 HB3 C:ARG230 3.0 43.7 1.0 NE C:ARG230 3.1 47.9 1.0 N C:ALA231 3.2 34.0 1.0 CA C:ALA231 3.3 38.1 1.0 C C:ARG230 3.4 33.5 1.0 HH22 C:ARG230 3.4 66.5 1.0 HB2 C:ALA231 3.4 39.7 1.0 H C:ALA231 3.4 40.8 1.0 OXT C:TFA403 3.5 88.5 1.0 CG C:ARG230 3.5 46.8 1.0 O C:ARG230 3.6 34.2 1.0 CB C:ARG230 3.6 36.4 1.0 HE22 C:GLN84 3.7 53.4 1.0 CD C:ARG230 3.9 54.6 1.0 CB C:ALA231 3.9 33.1 1.0 HB3 C:HIS234 3.9 40.2 1.0 NH2 C:ARG230 4.0 55.4 1.0 CZ C:ARG230 4.0 52.2 1.0 O C:ASN227 4.1 29.7 1.0 HD2 C:ARG230 4.1 65.5 1.0 CA C:ARG230 4.1 37.0 1.0 NE2 C:GLN84 4.3 44.5 1.0 HB1 C:ALA231 4.4 39.7 1.0 HB2 C:HIS234 4.4 40.2 1.0 HG3 C:ARG230 4.4 56.1 1.0 HE21 C:GLN84 4.4 53.4 1.0 HB2 C:ARG230 4.5 43.7 1.0 CB C:HIS234 4.6 33.5 1.0 HB3 C:ALA231 4.6 39.7 1.0 C C:ALA231 4.7 32.9 1.0 HG2 C:ARG188 4.7 58.3 1.0 HD3 C:ARG230 4.7 65.5 1.0 HH21 C:ARG230 4.7 66.5 1.0 HA C:ARG230 4.8 44.4 1.0 H C:HIS234 4.9 35.0 1.0

M.H.Hansen, A.Keto, M.Treisman, V.M.Sasi, L.Coe, Y.Zhao, L.Padva, C.Hess, V.Leichthammer, D.L.Machell, R.B.Schittenhelm, C.J.Jackson, J.Tailhades, M.Crusemann, J.J.De Voss, E.H.Krenske, M.J.Cryle. Structural Insights Into A Side Chain Cross-Linking Biarylitide P450 From Ripp Biosynthesis Acs Catalysis 812 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.3C05417