Fluorine in PDB 3ruw: Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis

The structure of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis, PDB code: 3ruw was solved by J.H.Pereira, C.Y.Ralston, N.R.Douglas, R.Kumar, R.P.Mcandrew, K.M.Knee, J.A.King, J.Frydman, P.D.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.97 / 2.70
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	162.552, 184.464, 185.495, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 22.7

The structure of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Aluminium	(Al)	4 atoms

Pages:

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

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis (pdb code 3ruw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis, PDB code: 3ruw:
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 Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ A:F546 b:44.5 occ:1.00 F1 A:AF3546 0.0 44.5 1.0 AL A:AF3546 1.7 45.6 1.0 MG A:MG544 2.5 39.7 1.0 OD1 A:ASP91 2.6 48.9 1.0 O1B A:ADP545 2.7 32.0 1.0 O3B A:ADP545 2.9 34.4 1.0 O2A A:ADP545 2.9 36.1 1.0 F3 A:AF3546 3.0 55.2 1.0 F2 A:AF3546 3.0 58.2 1.0 O A:HOH580 3.0 62.2 1.0 O A:HOH549 3.1 52.5 1.0 PB A:ADP545 3.2 26.6 1.0 OD2 A:ASP386 3.4 57.8 1.0 NZ A:LYS161 3.8 66.1 1.0 O3A A:ADP545 3.8 42.5 1.0 CG A:ASP91 3.9 46.8 1.0 PA A:ADP545 3.9 30.4 1.0 N A:GLY92 4.0 32.3 1.0 CG A:ASP386 4.1 58.3 1.0 O A:HOH553 4.4 51.2 1.0 OD1 A:ASP60 4.4 50.9 1.0 O A:HOH551 4.4 37.0 1.0 O A:HOH550 4.5 35.0 1.0 OD2 A:ASP91 4.6 48.9 1.0 O2B A:ADP545 4.6 39.8 1.0 O1A A:ADP545 4.6 29.4 1.0 OD1 A:ASP386 4.7 64.6 1.0 CA A:ASP91 4.7 36.5 1.0 CA A:GLY92 4.8 25.4 1.0 C A:ASP91 4.9 32.5 1.0 N A:THR93 4.9 32.5 1.0 CB A:ASP91 4.9 42.6 1.0 CB A:ASP386 4.9 49.5 1.0 CG A:LYS161 5.0 58.5 1.0

Fluorine binding site 2 out of 12 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ A:F546 b:58.2 occ:1.00 F2 A:AF3546 0.0 58.2 1.0 AL A:AF3546 1.7 45.6 1.0 OG1 A:THR93 2.3 38.2 1.0 N A:THR93 2.6 32.5 1.0 O1B A:ADP545 2.6 32.0 1.0 F3 A:AF3546 2.9 55.2 1.0 CB A:THR93 3.0 35.8 1.0 F1 A:AF3546 3.0 44.5 1.0 CG2 A:THR93 3.0 27.8 1.0 CA A:THR93 3.2 34.7 1.0 N A:GLY92 3.3 32.3 1.0 O A:HOH550 3.4 35.0 1.0 C A:GLY92 3.6 28.9 1.0 N A:THR94 3.7 30.5 1.0 PB A:ADP545 3.8 26.6 1.0 CA A:GLY92 3.9 25.4 1.0 C A:ASP91 4.0 32.5 1.0 C A:THR93 4.0 31.6 1.0 OD1 A:ASP91 4.0 48.9 1.0 O3B A:ADP545 4.0 34.4 1.0 OD1 A:ASP60 4.1 50.9 1.0 CA A:ASP91 4.2 36.5 1.0 N A:GLY61 4.3 32.7 1.0 O2B A:ADP545 4.5 39.8 1.0 OG1 A:THR94 4.7 29.5 1.0 CA A:GLY61 4.7 33.4 1.0 O A:GLY92 4.7 28.0 1.0 CG A:ASP60 4.8 51.3 1.0 O A:ASP91 4.8 25.2 1.0 N A:VAL62 4.9 37.5 1.0 CA A:THR94 4.9 28.4 1.0

Fluorine binding site 3 out of 12 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ A:F546 b:55.2 occ:1.00 F3 A:AF3546 0.0 55.2 1.0 AL A:AF3546 1.7 45.6 1.0 N A:GLY61 2.4 32.7 1.0 O1B A:ADP545 2.6 32.0 1.0 O A:HOH580 2.9 62.2 1.0 F2 A:AF3546 2.9 58.2 1.0 O A:HOH551 2.9 37.0 1.0 F1 A:AF3546 3.0 44.5 1.0 CA A:ASP60 3.2 40.0 1.0 C A:ASP60 3.3 35.2 1.0 OG1 A:THR94 3.3 29.5 1.0 O A:ASN59 3.3 31.7 1.0 CA A:GLY61 3.4 33.4 1.0 OG1 A:THR93 3.5 38.2 1.0 OD1 A:ASP60 3.8 50.9 1.0 NZ A:LYS161 3.8 66.1 1.0 PB A:ADP545 4.0 26.6 1.0 C A:ASN59 4.1 36.6 1.0 N A:ASP60 4.1 38.5 1.0 CG A:ASP60 4.1 51.3 1.0 CB A:THR94 4.2 25.3 1.0 CB A:ASP60 4.3 44.3 1.0 O3A A:ADP545 4.4 42.5 1.0 N A:THR94 4.4 30.5 1.0 O A:ASP60 4.5 31.5 1.0 C A:GLY61 4.6 37.2 1.0 O3B A:ADP545 4.8 34.4 1.0 O2A A:ADP545 4.8 36.1 1.0 N A:VAL62 4.8 37.5 1.0 CB A:THR93 4.8 35.8 1.0 O A:HOH550 4.9 35.0 1.0 CA A:THR94 4.9 28.4 1.0 PA A:ADP545 4.9 30.4 1.0 O1A A:ADP545 4.9 29.4 1.0 OD1 A:ASN59 4.9 38.6 1.0 OD2 A:ASP60 5.0 62.5 1.0 N A:THR93 5.0 32.5 1.0 O2B A:ADP545 5.0 39.8 1.0

Fluorine binding site 4 out of 12 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ B:F546 b:42.6 occ:1.00 F1 B:AF3546 0.0 42.6 1.0 AL B:AF3546 1.7 46.6 1.0 MG B:MG544 2.1 39.8 1.0 O1B B:ADP545 2.4 40.6 1.0 O2A B:ADP545 2.6 29.8 1.0 O B:HOH550 2.6 63.3 1.0 OD1 B:ASP91 2.9 51.2 1.0 F2 B:AF3546 3.0 71.5 1.0 F3 B:AF3546 3.0 63.9 1.0 O B:HOH549 3.0 39.7 1.0 O3B B:ADP545 3.1 39.3 1.0 PB B:ADP545 3.2 33.6 1.0 NZ B:LYS161 3.4 64.0 1.0 PA B:ADP545 3.6 40.1 1.0 O3A B:ADP545 3.6 49.0 1.0 OD2 B:ASP386 3.8 61.3 1.0 O B:HOH568 4.0 48.8 1.0 CG B:ASP91 4.1 48.7 1.0 O1A B:ADP545 4.2 29.8 1.0 N B:GLY92 4.4 42.5 1.0 CG B:ASP386 4.5 67.5 1.0 OD1 B:ASP60 4.5 61.5 1.0 O B:HOH563 4.6 49.2 1.0 O2B B:ADP545 4.6 39.6 1.0 O B:HOH551 4.6 50.8 1.0 CG B:LYS161 4.7 58.2 1.0 OD2 B:ASP91 4.8 46.3 1.0 OD1 B:ASP386 4.8 78.7 1.0 CE B:LYS161 4.8 64.5 1.0 O5' B:ADP545 5.0 38.6 1.0

Fluorine binding site 5 out of 12 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ B:F546 b:71.5 occ:1.00 F2 B:AF3546 0.0 71.5 1.0 AL B:AF3546 1.7 46.6 1.0 O B:HOH563 2.4 49.2 1.0 O1B B:ADP545 2.9 40.6 1.0 OG1 B:THR93 2.9 38.7 1.0 F3 B:AF3546 2.9 63.9 1.0 F1 B:AF3546 3.0 42.6 1.0 N B:THR93 3.1 31.1 1.0 N B:GLY92 3.3 42.5 1.0 CG2 B:THR93 3.4 28.6 1.0 OD1 B:ASP91 3.5 51.2 1.0 CB B:THR93 3.6 39.4 1.0 OD1 B:ASP60 3.6 61.5 1.0 CA B:ASP91 3.7 41.1 1.0 C B:ASP91 3.8 42.5 1.0 CA B:THR93 3.9 37.8 1.0 PB B:ADP545 4.1 33.6 1.0 C B:GLY92 4.1 35.6 1.0 CA B:GLY92 4.2 35.8 1.0 OD1 B:ASP386 4.2 78.7 1.0 O3B B:ADP545 4.3 39.3 1.0 MG B:MG544 4.4 39.8 1.0 N B:THR94 4.5 34.7 1.0 CG B:ASP91 4.5 48.7 1.0 O B:GLY90 4.6 55.4 1.0 CG B:ASP60 4.6 57.2 1.0 N B:ASP91 4.6 43.5 1.0 OD2 B:ASP386 4.6 61.3 1.0 CG B:ASP386 4.7 67.5 1.0 NZ B:LYS161 4.7 64.0 1.0 CB B:ASP91 4.7 43.8 1.0 C B:THR93 4.7 41.4 1.0 N B:GLY61 4.7 34.5 1.0 O B:ASP91 4.8 39.3 1.0 O2B B:ADP545 4.9 39.6 1.0 O B:HOH565 4.9 43.9 1.0 C B:GLY90 4.9 51.2 1.0

Fluorine binding site 6 out of 12 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ B:F546 b:63.9 occ:1.00 F3 B:AF3546 0.0 63.9 1.0 AL B:AF3546 1.7 46.6 1.0 O1B B:ADP545 2.4 40.6 1.0 N B:GLY61 2.5 34.5 1.0 F2 B:AF3546 2.9 71.5 1.0 F1 B:AF3546 3.0 42.6 1.0 OG1 B:THR94 3.1 32.8 1.0 OG1 B:THR93 3.2 38.7 1.0 O B:HOH551 3.2 50.8 1.0 CA B:GLY61 3.4 33.1 1.0 O B:HOH549 3.4 39.7 1.0 C B:ASP60 3.4 44.1 1.0 CA B:ASP60 3.5 47.4 1.0 O B:ASN59 3.6 33.8 1.0 OD1 B:ASP60 3.7 61.5 1.0 PB B:ADP545 3.9 33.6 1.0 N B:THR94 4.0 34.7 1.0 CB B:THR94 4.1 32.9 1.0 NZ B:LYS161 4.2 64.0 1.0 CG B:ASP60 4.3 57.2 1.0 O3A B:ADP545 4.3 49.0 1.0 C B:ASN59 4.4 35.9 1.0 N B:ASP60 4.4 42.8 1.0 CB B:ASP60 4.5 53.1 1.0 CB B:THR93 4.5 39.4 1.0 C B:GLY61 4.5 34.1 1.0 O B:ASP60 4.6 39.6 1.0 N B:VAL62 4.6 31.7 1.0 CA B:THR94 4.6 37.3 1.0 N B:THR93 4.6 31.1 1.0 O B:HOH563 4.6 49.2 1.0 O2B B:ADP545 4.7 39.6 1.0 O2A B:ADP545 4.8 29.8 1.0 C B:THR93 4.8 41.4 1.0 O3B B:ADP545 4.9 39.3 1.0 CA B:THR93 4.9 37.8 1.0 PA B:ADP545 4.9 40.1 1.0 O1A B:ADP545 5.0 29.8 1.0

Fluorine binding site 7 out of 12 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ C:F546 b:38.9 occ:1.00 F1 C:AF3546 0.0 38.9 1.0 AL C:AF3546 1.7 38.1 1.0 MG C:MG544 2.1 33.5 1.0 O2A C:ADP545 2.6 32.2 1.0 O1B C:ADP545 2.7 33.1 1.0 OD1 C:ASP91 2.9 44.4 1.0 F3 C:AF3546 2.9 61.8 1.0 O3B C:ADP545 2.9 34.1 1.0 F2 C:AF3546 3.0 56.9 1.0 O C:HOH549 3.0 41.8 1.0 O C:HOH578 3.1 47.2 1.0 PB C:ADP545 3.2 26.7 1.0 NZ C:LYS161 3.6 66.4 1.0 PA C:ADP545 3.6 32.7 1.0 O3A C:ADP545 3.6 33.5 1.0 OD2 C:ASP386 3.7 59.6 1.0 CG C:ASP91 4.1 38.4 1.0 O C:HOH569 4.3 42.5 1.0 CG C:ASP386 4.3 65.0 1.0 O1A C:ADP545 4.3 31.2 1.0 N C:GLY92 4.4 35.6 1.0 O C:HOH550 4.4 41.1 1.0 O C:HOH579 4.4 49.9 1.0 OD1 C:ASP60 4.6 49.8 1.0 O2B C:ADP545 4.6 48.9 1.0 OD1 C:ASP386 4.6 76.4 1.0 OD2 C:ASP91 4.7 35.4 1.0 CG C:LYS161 4.8 65.9 1.0 O5' C:ADP545 4.9 50.2 1.0 CE C:LYS161 5.0 67.2 1.0

Fluorine binding site 8 out of 12 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ C:F546 b:56.9 occ:1.00 F2 C:AF3546 0.0 56.9 1.0 AL C:AF3546 1.7 38.1 1.0 O1B C:ADP545 2.6 33.1 1.0 OG1 C:THR93 2.7 29.7 1.0 O C:HOH579 2.9 49.9 1.0 N C:THR93 2.9 31.4 1.0 F1 C:AF3546 3.0 38.9 1.0 F3 C:AF3546 3.0 61.8 1.0 CB C:THR93 3.4 37.0 1.0 CG2 C:THR93 3.4 37.6 1.0 N C:GLY92 3.6 35.6 1.0 CA C:THR93 3.6 33.6 1.0 OD1 C:ASP60 3.7 49.8 1.0 PB C:ADP545 3.7 26.7 1.0 OD1 C:ASP91 3.7 44.4 1.0 N C:THR94 3.9 29.4 1.0 C C:GLY92 4.0 41.3 1.0 O3B C:ADP545 4.0 34.1 1.0 CA C:GLY92 4.1 37.4 1.0 C C:ASP91 4.2 33.7 1.0 CA C:ASP91 4.3 33.2 1.0 C C:THR93 4.3 37.5 1.0 N C:GLY61 4.4 37.4 1.0 MG C:MG544 4.5 33.5 1.0 O2B C:ADP545 4.6 48.9 1.0 CG C:ASP60 4.6 51.2 1.0 OD1 C:ASP386 4.7 76.4 1.0 NZ C:LYS161 4.8 66.4 1.0 CG C:ASP91 4.8 38.4 1.0 OG1 C:THR94 4.8 30.9 1.0 O3A C:ADP545 4.9 33.5 1.0 CA C:GLY61 5.0 33.5 1.0

Fluorine binding site 9 out of 12 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ C:F546 b:61.8 occ:1.00 F3 C:AF3546 0.0 61.8 1.0 AL C:AF3546 1.7 38.1 1.0 O1B C:ADP545 2.6 33.1 1.0 N C:GLY61 2.7 37.4 1.0 O C:HOH578 2.8 47.2 1.0 F1 C:AF3546 2.9 38.9 1.0 O C:HOH550 2.9 41.1 1.0 F2 C:AF3546 3.0 56.9 1.0 O C:ASN59 3.1 24.2 1.0 OG1 C:THR94 3.3 30.9 1.0 CA C:ASP60 3.3 45.1 1.0 C C:ASP60 3.5 44.2 1.0 CA C:GLY61 3.7 33.5 1.0 OD1 C:ASP60 3.8 49.8 1.0 NZ C:LYS161 3.8 66.4 1.0 C C:ASN59 3.9 34.1 1.0 PB C:ADP545 4.0 26.7 1.0 OG1 C:THR93 4.0 29.7 1.0 N C:ASP60 4.1 36.7 1.0 CB C:THR94 4.2 29.3 1.0 O3A C:ADP545 4.2 33.5 1.0 CG C:ASP60 4.3 51.2 1.0 CB C:ASP60 4.4 51.3 1.0 N C:THR94 4.5 29.4 1.0 O2A C:ADP545 4.6 32.2 1.0 PA C:ADP545 4.7 32.7 1.0 O C:ASP60 4.7 44.4 1.0 O1A C:ADP545 4.7 31.2 1.0 OD1 C:ASN59 4.7 38.7 1.0 O C:HOH579 4.8 49.9 1.0 O3B C:ADP545 4.8 34.1 1.0 OG1 C:THR38 4.9 34.3 1.0 MG C:MG544 4.9 33.5 1.0 CA C:THR94 4.9 31.3 1.0 CE C:LYS161 5.0 67.2 1.0 C C:GLY61 5.0 35.1 1.0

Fluorine binding site 10 out of 12 in the Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Cpn-Rls in Complex with Adp-Alfx From Methanococcus Maripaludis within 5.0Å range: probe atom residue distance (Å) B Occ D:F546 b:40.4 occ:1.00 F1 D:AF3546 0.0 40.4 1.0 AL D:AF3546 1.7 51.4 1.0 MG D:MG544 2.3 56.4 1.0 OD1 D:ASP91 2.6 62.6 1.0 O3B D:ADP545 2.7 43.6 1.0 O2A D:ADP545 2.8 49.3 1.0 O1B D:ADP545 2.9 36.1 1.0 F3 D:AF3546 3.0 50.9 1.0 F2 D:AF3546 3.0 57.7 1.0 O D:HOH549 3.1 37.5 1.0 O D:HOH562 3.1 54.4 1.0 PB D:ADP545 3.1 32.9 1.0 O3A D:ADP545 3.4 0.2 1.0 OD2 D:ASP386 3.6 63.0 1.0 PA D:ADP545 3.6 37.3 1.0 CG D:ASP91 3.8 56.1 1.0 O D:HOH558 3.9 54.9 1.0 NZ D:LYS161 3.9 67.8 1.0 N D:GLY92 4.2 39.5 1.0 CG D:ASP386 4.4 68.9 1.0 O1A D:ADP545 4.4 46.0 1.0 OD2 D:ASP91 4.4 53.1 1.0 OD1 D:ASP60 4.5 62.3 1.0 O2B D:ADP545 4.6 41.0 1.0 CG D:LYS161 4.8 62.2 1.0 CA D:ASP91 4.8 40.2 1.0 OD1 D:ASP386 4.9 81.0 1.0 O D:HOH563 4.9 52.8 1.0 CB D:ASP91 4.9 44.6 1.0 CA D:GLY92 5.0 35.0 1.0 O5' D:ADP545 5.0 69.3 1.0 O D:HOH565 5.0 60.6 1.0

J.H.Pereira, C.Y.Ralston, N.R.Douglas, R.Kumar, T.Lopez, R.P.Mcandrew, K.M.Knee, J.A.King, J.Frydman, P.D.Adams. Mechanism of Nucleotide Sensing in Group II Chaperonins. Embo J. V. 31 731 2012.
ISSN: ISSN 0261-4189
PubMed: 22193720
DOI: 10.1038/EMBOJ.2011.468