Fluorine in PDB 7c1o: Crystal Structure of Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4-

The structure of Crystal Structure of Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4-, PDB code: 7c1o was solved by S.Batra, B.Prakash, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.52 / 2.18
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.377, 72.86, 120.91, 90, 90, 90
R / Rfree (%)	20.5 / 23.6

The structure of Crystal Structure of Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4- also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Potassium	(K)	1 atom
Aluminium	(Al)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4- (pdb code 7c1o). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4-, PDB code: 7c1o:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4-


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 Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:37.3 occ:1.00 F1 A:ALF401 0.0 37.3 1.0 AL A:ALF401 1.6 41.0 1.0 F4 A:ALF401 2.3 37.9 1.0 F3 A:ALF401 2.3 35.6 1.0 N A:THR37 2.7 37.1 1.0 K A:K406 2.8 45.6 1.0 O1B A:GDP402 2.8 30.0 1.0 O A:HOH545 2.9 32.8 1.0 CB A:THR37 3.2 39.2 1.0 F2 A:ALF401 3.3 34.1 1.0 N A:THR38 3.3 34.5 1.0 CA A:THR37 3.4 36.0 1.0 O A:HOH551 3.4 32.5 1.0 N A:GLY36 3.5 37.3 1.0 MG A:MG405 3.7 33.5 1.0 C A:GLY36 3.7 39.9 1.0 OG1 A:THR37 3.7 37.4 1.0 C A:THR37 3.8 36.0 1.0 PB A:GDP402 3.9 30.9 1.0 CA A:GLY36 3.9 38.2 1.0 O A:LYS34 4.0 35.5 1.0 O3B A:GDP402 4.0 29.2 1.0 OG1 A:THR38 4.3 35.9 1.0 C A:ALA35 4.3 41.4 1.0 CA A:THR38 4.4 37.5 1.0 CB A:THR38 4.4 33.2 1.0 O1A A:GDP402 4.5 31.8 1.0 CG2 A:THR37 4.5 36.4 1.0 CA A:ALA35 4.5 39.9 1.0 O A:HOH559 4.6 31.9 1.0 O3A A:GDP402 4.8 34.2 1.0 O A:THR38 4.8 38.3 1.0 N A:ASN13 4.8 31.1 1.0 O A:GLY36 4.8 39.5 1.0 OD1 A:ASN13 4.9 34.6 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4-


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 Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:34.1 occ:1.00 F2 A:ALF401 0.0 34.1 1.0 AL A:ALF401 1.6 41.0 1.0 F4 A:ALF401 2.3 37.9 1.0 F3 A:ALF401 2.3 35.6 1.0 NZ A:LYS16 2.7 34.6 1.0 O1B A:GDP402 2.7 30.0 1.0 N A:GLY61 2.8 31.3 1.0 O A:HOH545 2.9 32.8 1.0 CA A:GLY61 3.2 32.2 1.0 F1 A:ALF401 3.3 37.3 1.0 CE A:LYS16 3.4 28.5 1.0 PB A:GDP402 3.4 30.9 1.0 O A:HOH559 3.6 31.9 1.0 CA A:PRO12 3.6 36.2 1.0 O2B A:GDP402 3.7 30.9 1.0 N A:ASN13 3.8 31.1 1.0 O3B A:GDP402 3.9 29.2 1.0 O A:HOH513 4.0 30.4 1.0 C A:PRO60 4.0 34.4 1.0 MG A:MG405 4.1 33.5 1.0 O A:LYS11 4.2 30.9 1.0 C A:PRO12 4.2 37.0 1.0 CB A:PRO12 4.3 32.7 1.0 CA A:PRO60 4.4 33.6 1.0 O A:THR59 4.5 31.7 1.0 C A:GLY61 4.5 34.5 1.0 N A:PRO12 4.6 37.2 1.0 C A:LYS11 4.8 35.5 1.0 CD A:LYS16 4.9 29.0 1.0 CA A:ASN13 4.9 36.5 1.0 O A:GLY61 4.9 33.5 1.0 N A:GLY36 4.9 37.3 1.0 O A:PRO60 5.0 32.0 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4-


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 Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:35.6 occ:1.00 F3 A:ALF401 0.0 35.6 1.0 AL A:ALF401 1.6 41.0 1.0 F1 A:ALF401 2.3 37.3 1.0 F2 A:ALF401 2.3 34.1 1.0 O1B A:GDP402 2.6 30.0 1.0 N A:ASN13 3.0 31.1 1.0 N A:GLY36 3.0 37.3 1.0 O A:HOH545 3.0 32.8 1.0 F4 A:ALF401 3.3 37.9 1.0 CA A:PRO12 3.4 36.2 1.0 CB A:PRO12 3.4 32.7 1.0 O A:HOH559 3.5 31.9 1.0 C A:PRO12 3.6 37.0 1.0 K A:K406 3.7 45.6 1.0 CA A:ALA35 3.7 39.9 1.0 C A:ALA35 3.8 41.4 1.0 CA A:ASN13 3.9 36.5 1.0 CA A:GLY36 3.9 38.2 1.0 PB A:GDP402 4.0 30.9 1.0 N A:THR37 4.1 37.1 1.0 CB A:ALA35 4.3 34.3 1.0 OD1 A:ASN13 4.5 34.6 1.0 C A:GLY36 4.6 39.9 1.0 CB A:ASN13 4.6 34.6 1.0 N A:GLY61 4.6 31.3 1.0 O A:LYS34 4.6 35.5 1.0 NZ A:LYS16 4.6 34.6 1.0 CG A:PRO12 4.6 34.5 1.0 CG A:ASN13 4.7 38.2 1.0 O2B A:GDP402 4.7 30.9 1.0 CA A:GLY61 4.7 32.2 1.0 N A:PRO12 4.7 37.2 1.0 O3B A:GDP402 4.8 29.2 1.0 O A:PRO12 4.8 38.5 1.0 N A:ALA35 4.8 43.3 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4-


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 Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:37.9 occ:1.00 F4 A:ALF401 0.0 37.9 1.0 AL A:ALF401 1.6 41.0 1.0 MG A:MG405 2.1 33.5 1.0 F1 A:ALF401 2.3 37.3 1.0 F2 A:ALF401 2.3 34.1 1.0 O A:HOH545 2.8 32.8 1.0 O3B A:GDP402 2.9 29.2 1.0 O1B A:GDP402 2.9 30.0 1.0 O A:HOH513 2.9 30.4 1.0 OG1 A:THR38 3.0 35.9 1.0 CB A:THR38 3.1 33.2 1.0 O A:HOH551 3.2 32.5 1.0 F3 A:ALF401 3.3 35.6 1.0 PB A:GDP402 3.3 30.9 1.0 N A:THR38 3.4 34.5 1.0 CA A:THR38 3.8 37.5 1.0 N A:GLY61 4.2 31.3 1.0 NZ A:LYS16 4.2 34.6 1.0 O2B A:GDP402 4.3 30.9 1.0 OG A:SER17 4.3 34.4 1.0 CG2 A:THR38 4.4 32.4 1.0 O A:THR59 4.4 31.7 1.0 O A:THR38 4.4 38.3 1.0 CE A:LYS16 4.5 28.5 1.0 N A:THR37 4.5 37.1 1.0 K A:K406 4.5 45.6 1.0 CA A:PRO60 4.5 33.6 1.0 C A:THR37 4.6 36.0 1.0 C A:THR38 4.6 38.3 1.0 O3A A:GDP402 4.7 34.2 1.0 O A:HOH559 4.8 31.9 1.0 CB A:THR37 4.8 39.2 1.0 CA A:THR37 4.9 36.0 1.0 C A:PRO60 4.9 34.4 1.0 O1A A:GDP402 5.0 31.8 1.0

S.Batra, B.Prakash. Crystal Structure of Aquifex Aeolicus Era Y63A Bound to Gdp.ALF4- To Be Published.