Atomistry » Chlorine » PDB 4fv3-4g7y » 4g3v
Atomistry »
  Chlorine »
    PDB 4fv3-4g7y »
      4g3v »

Chlorine in PDB 4g3v: Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State

Protein crystallography data

The structure of Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State, PDB code: 4g3v was solved by J.D.Batchelor, P.Lee, A.Wang, M.Doucleff, D.E.Wemmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.16 / 1.70
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 65.450, 65.450, 128.590, 90.00, 90.00, 120.00
R / Rfree (%) 16.3 / 20.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State (pdb code 4g3v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State, PDB code: 4g3v:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4g3v

Go back to Chlorine Binding Sites List in 4g3v
Chlorine binding site 1 out of 4 in the Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:37.5
occ:1.00
HE A:ARG84 2.4 39.2 1.0
HH21 A:ARG84 2.5 41.9 1.0
HE3 A:LYS80 3.1 53.4 1.0
O A:HOH357 3.1 50.0 1.0
NE A:ARG84 3.2 32.6 1.0
NH2 A:ARG84 3.3 34.9 1.0
HG2 A:LYS80 3.4 42.7 1.0
HD3 A:LYS80 3.7 48.3 1.0
CZ A:ARG84 3.7 33.2 1.0
CE A:LYS80 3.9 44.5 1.0
HH22 A:ARG84 4.0 41.9 1.0
CD A:LYS80 4.1 40.3 1.0
CG A:LYS80 4.2 35.6 1.0
HD2 A:ARG84 4.3 37.8 1.0
HB3 A:LYS80 4.3 38.5 1.0
CD A:ARG84 4.3 31.5 1.0
HE2 A:LYS80 4.4 53.4 1.0
HG3 A:ARG84 4.6 39.3 1.0
O A:HOH354 4.7 61.7 1.0
HE22 A:GLN83 4.8 47.5 1.0
CB A:LYS80 4.8 32.1 1.0
HG3 A:LYS80 5.0 42.7 1.0
HZ2 A:LYS80 5.0 58.5 1.0

Chlorine binding site 2 out of 4 in 4g3v

Go back to Chlorine Binding Sites List in 4g3v
Chlorine binding site 2 out of 4 in the Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:79.4
occ:1.00
NE2 A:HIS113 2.8 44.0 1.0
HB2 A:GLU43 2.8 60.8 1.0
OE1 A:GLU43 3.0 71.8 1.0
HD2 A:HIS44 3.1 52.0 1.0
O A:HOH342 3.2 50.7 1.0
CD A:GLU43 3.3 65.6 1.0
HE1 A:HIS113 3.5 54.3 1.0
O A:HOH366 3.5 54.1 1.0
CE1 A:HIS113 3.6 45.3 1.0
CB A:GLU43 3.6 50.6 1.0
CD2 A:HIS44 3.6 43.3 1.0
OE2 A:GLU43 3.7 66.4 1.0
NE2 A:HIS44 3.7 45.5 1.0
HB3 A:GLU43 3.8 60.8 1.0
CD2 A:HIS113 3.9 44.0 1.0
CG A:GLU43 4.0 56.9 1.0
HD2 A:HIS113 4.1 52.8 1.0
HG3 A:GLU135 4.1 61.0 1.0
H A:GLU43 4.4 47.6 1.0
O A:HOH370 4.5 63.9 1.0
HG3 A:GLU43 4.6 68.2 1.0
HA A:LYS134 4.6 42.7 1.0
HG2 A:GLU43 4.7 68.2 1.0
ND1 A:HIS113 4.8 45.2 1.0
CA A:GLU43 4.8 43.3 1.0
H A:GLU135 4.8 48.3 1.0
CG A:HIS44 4.9 39.5 1.0
CG A:HIS113 5.0 43.9 1.0
CE1 A:HIS44 5.0 44.9 1.0

Chlorine binding site 3 out of 4 in 4g3v

Go back to Chlorine Binding Sites List in 4g3v
Chlorine binding site 3 out of 4 in the Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:49.1
occ:1.00
H A:ILE77 2.3 40.2 1.0
H A:ALA100 2.5 64.7 1.0
HD1 A:PHE99 3.0 58.5 1.0
N A:ILE77 3.1 33.5 1.0
HB A:ILE77 3.1 40.9 1.0
O A:HOH314 3.1 51.2 1.0
HB3 A:ALA100 3.1 68.7 1.0
HA3 A:GLY76 3.2 47.6 1.0
N A:ALA100 3.3 53.9 1.0
H A:THR78 3.4 35.9 1.0
HA A:PHE99 3.4 58.2 1.0
HD12 A:ILE77 3.5 47.8 1.0
HG13 A:ILE77 3.6 45.0 1.0
H A:ASN101 3.7 74.5 1.0
CD1 A:PHE99 3.7 48.7 1.0
CB A:ILE77 3.8 34.1 1.0
CA A:GLY76 3.8 39.7 1.0
HE1 A:PHE99 3.8 59.9 1.0
CB A:ALA100 3.9 57.2 1.0
HA2 A:GLY76 3.9 47.6 1.0
C A:GLY76 3.9 37.0 1.0
CA A:ILE77 3.9 34.2 1.0
HB2 A:ALA100 4.0 68.7 1.0
HE2 A:PHE71 4.0 66.9 1.0
CG1 A:ILE77 4.0 37.5 1.0
CA A:ALA100 4.1 57.0 1.0
N A:THR78 4.1 29.9 1.0
CE1 A:PHE99 4.1 49.9 1.0
CD1 A:ILE77 4.2 39.8 1.0
N A:ASN101 4.2 62.1 1.0
CA A:PHE99 4.2 48.5 1.0
C A:PHE99 4.3 51.5 1.0
HD11 A:LEU115 4.3 46.6 1.0
O A:ALA98 4.4 49.2 1.0
HD13 A:LEU115 4.5 46.6 1.0
H A:LYS102 4.5 89.9 1.0
C A:ALA100 4.6 61.7 1.0
C A:ILE77 4.6 30.5 1.0
HB1 A:ALA100 4.7 68.7 1.0
HD11 A:ILE77 4.7 47.8 1.0
HB A:THR78 4.7 37.3 1.0
HA A:ILE77 4.7 41.0 1.0
O A:HOH326 4.8 44.5 1.0
CG A:PHE99 4.8 48.6 1.0
CD1 A:LEU115 4.8 38.8 1.0
HD13 A:ILE77 4.8 47.8 1.0
CE2 A:PHE71 4.8 55.7 1.0
HD12 A:LEU115 4.9 46.6 1.0
HG12 A:ILE77 5.0 45.0 1.0
HA A:ALA100 5.0 68.4 1.0

Chlorine binding site 4 out of 4 in 4g3v

Go back to Chlorine Binding Sites List in 4g3v
Chlorine binding site 4 out of 4 in the Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A. Aeolicus NLH2 Gaf Domain in An Inactive State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:42.4
occ:1.00
HH B:TYR23 2.7 38.9 1.0
HE2 B:LYS17 3.0 44.3 1.0
O B:HOH317 3.0 37.2 1.0
OH B:TYR23 3.1 32.4 1.0
HE2 B:TYR23 3.2 36.7 1.0
HG2 B:LYS17 3.3 33.6 1.0
CE2 B:TYR23 3.8 30.6 1.0
CZ B:TYR23 3.9 31.0 1.0
CE B:LYS17 3.9 36.9 1.0
CG B:LYS17 4.1 28.0 1.0
HA B:ILE18 4.2 32.3 1.0
HE3 B:LYS17 4.4 44.3 1.0
HD3 B:LYS17 4.4 37.9 1.0
CD B:LYS17 4.4 31.6 1.0
HG3 B:LYS17 4.6 33.6 1.0
O B:LYS17 4.6 27.8 1.0
HZ3 B:LYS17 4.8 43.9 1.0
O B:HOH318 4.8 42.6 1.0
HG12 B:ILE18 4.8 31.9 1.0
NZ B:LYS17 4.8 36.6 1.0
HZ1 B:LYS17 4.9 43.9 1.0
C B:LYS17 4.9 26.1 1.0
HG13 B:ILE18 5.0 31.9 1.0

Reference:

J.D.Batchelor, P.S.Lee, A.C.Wang, M.Doucleff, D.E.Wemmer. Structural Mechanism of Gaf-Regulated Delta(54) Activators From Aquifex Aeolicus J.Mol.Biol. V. 425 156 2013.
ISSN: ISSN 0022-2836
PubMed: 23123379
DOI: 10.1016/J.JMB.2012.10.017
Page generated: Fri Jul 11 15:30:08 2025

Last articles

Cl in 4TVK
Cl in 4TV8
Cl in 4TTT
Cl in 4TUV
Cl in 4TUK
Cl in 4TTG
Cl in 4TU4
Cl in 4TT4
Cl in 4TTE
Cl in 4TT6
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy