Atomistry » Chlorine » PDB 6ndf-6nkr » 6ndh
Atomistry »
  Chlorine »
    PDB 6ndf-6nkr »
      6ndh »

Chlorine in PDB 6ndh: Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc

Protein crystallography data

The structure of Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc, PDB code: 6ndh was solved by J.Stetefeld, M.D.Mcdougall, P.C.Loewen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.00 / 2.90
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 131.399, 131.399, 251.358, 90.00, 90.00, 90.00
R / Rfree (%) 22.8 / 28.5

Other elements in 6ndh:

The structure of Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc also contains other interesting chemical elements:

Zinc (Zn) 6 atoms
Sodium (Na) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc (pdb code 6ndh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc, PDB code: 6ndh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6ndh

Go back to Chlorine Binding Sites List in 6ndh
Chlorine binding site 1 out of 9 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:79.1
occ:1.00
 N G:GLY7 3.4 90.8 1.0
NH2 C:ARG260 3.5 65.2 1.0
CA G:GLY7 3.6 83.7 1.0
NH1 C:ARG260 3.9 67.9 1.0
CZ C:ARG260 4.2 67.1 1.0
CE C:LYS261 4.2 55.1 1.0
C G:GLY7 4.2 78.3 1.0
O G:TRP8 4.4 55.8 1.0
C G:PRO6 4.6 80.3 1.0
O G:GLY7 4.6 84.5 1.0
N G:TRP8 4.7 62.2 1.0
NZ C:LYS261 4.8 61.5 1.0
CA G:PRO6 5.0 77.0 1.0
CD C:LYS261 5.0 47.7 1.0

Chlorine binding site 2 out of 9 in 6ndh

Go back to Chlorine Binding Sites List in 6ndh
Chlorine binding site 2 out of 9 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:64.6
occ:1.00
 NH2 C:ARG339 2.8 0.1 1.0
NH2 O:ARG339 3.6 98.3 1.0
CZ C:ARG339 4.1 92.3 1.0
CZ O:ARG339 4.5 0.1 1.0
NH1 O:ARG339 4.6 0.9 1.0
NE C:ARG339 4.8 80.9 1.0

Chlorine binding site 3 out of 9 in 6ndh

Go back to Chlorine Binding Sites List in 6ndh
Chlorine binding site 3 out of 9 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl202

b:53.7
occ:1.00
 N E:LYS59 3.3 52.9 1.0
N E:TYR60 3.6 53.8 1.0
CD2 E:LEU58 3.9 56.0 1.0
OD1 F:ASP321 3.9 72.2 1.0
CA E:LEU58 3.9 54.7 1.0
CB E:LYS59 4.0 63.0 1.0
CA E:LYS59 4.1 62.6 1.0
C E:LEU58 4.1 50.6 1.0
CD2 E:TYR60 4.2 49.5 1.0
CB E:LEU58 4.3 61.9 1.0
C E:LYS59 4.4 64.5 1.0
CB E:TYR60 4.5 46.0 1.0
CA E:TYR60 4.6 48.8 1.0
O E:TYR60 4.7 44.5 1.0
CG E:LEU58 4.8 59.0 1.0
CB E:SER17 4.8 62.1 1.0
CG E:TYR60 4.8 45.4 1.0
C E:TYR60 5.0 40.9 1.0
CG F:ASP321 5.0 79.8 1.0

Chlorine binding site 4 out of 9 in 6ndh

Go back to Chlorine Binding Sites List in 6ndh
Chlorine binding site 4 out of 9 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl201

b:58.5
occ:1.00
 N H:LYS59 3.3 56.1 1.0
N H:TYR60 3.6 52.8 1.0
OD2 I:ASP321 3.7 73.3 1.0
CD2 H:LEU58 3.9 53.7 1.0
CB H:LYS59 3.9 62.9 1.0
CA H:LEU58 3.9 51.3 1.0
CA H:LYS59 4.0 61.9 1.0
CD2 H:TYR60 4.1 45.1 1.0
C H:LEU58 4.1 49.3 1.0
C H:LYS59 4.3 62.9 1.0
CB H:LEU58 4.3 57.8 1.0
CB H:TYR60 4.4 44.7 1.0
CA H:TYR60 4.5 46.6 1.0
OG H:SER17 4.6 57.2 1.0
CG H:TYR60 4.7 44.9 1.0
CG H:LEU58 4.8 55.7 1.0
O H:TYR60 4.8 40.6 1.0
CG I:ASP321 4.8 77.2 1.0
C H:TYR60 4.9 37.4 1.0
CG H:LYS59 5.0 63.8 1.0

Chlorine binding site 5 out of 9 in 6ndh

Go back to Chlorine Binding Sites List in 6ndh
Chlorine binding site 5 out of 9 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl202

b:86.3
occ:1.00
 NH2 J:ARG73 3.4 95.0 1.0
CD J:ARG75 3.8 80.0 1.0
NH1 J:ARG75 4.1 0.7 1.0
NE J:ARG75 4.4 82.6 1.0
CG J:ARG75 4.5 75.6 1.0
CZ J:ARG75 4.5 0.6 1.0
CZ J:ARG73 4.7 0.4 1.0
CB J:ARG75 4.8 67.6 1.0

Chlorine binding site 6 out of 9 in 6ndh

Go back to Chlorine Binding Sites List in 6ndh
Chlorine binding site 6 out of 9 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl201

b:60.1
occ:1.00
 NH2 K:ARG14 3.0 82.5 1.0
CZ K:ARG14 3.9 68.5 1.0
NH1 K:ARG14 3.9 64.2 1.0
ND1 K:HIS4 4.6 0.5 1.0
CE1 K:HIS4 4.9 0.9 1.0

Chlorine binding site 7 out of 9 in 6ndh

Go back to Chlorine Binding Sites List in 6ndh
Chlorine binding site 7 out of 9 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl403

b:78.8
occ:1.00
 NH2 L:ARG260 3.6 63.4 1.0
NH1 L:ARG260 4.0 60.6 1.0
CZ L:ARG260 4.3 63.5 1.0
CE L:LYS261 4.5 63.8 1.0

Chlorine binding site 8 out of 9 in 6ndh

Go back to Chlorine Binding Sites List in 6ndh
Chlorine binding site 8 out of 9 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl201

b:63.6
occ:1.00
 NH1 N:ARG91 3.0 62.2 1.0
NE2 M:GLN102 3.1 40.1 1.0
OE1 M:GLN102 3.7 50.5 1.0
CD M:GLN102 3.8 48.7 1.0
CZ N:ARG91 3.9 61.0 1.0
NH2 N:ARG91 4.1 61.3 1.0
OE2 M:GLU100 4.6 43.9 1.0
OE1 M:GLU100 4.6 42.6 1.0
CE2 N:TYR94 4.7 49.1 1.0

Chlorine binding site 9 out of 9 in 6ndh

Go back to Chlorine Binding Sites List in 6ndh
Chlorine binding site 9 out of 9 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Rhodocetin in Complex with the Integrin ALPHA2-A Domain and Zinc within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Cl403

b:64.1
occ:1.00
 NH2 R:ARG339 3.7 0.9 1.0
CZ R:ARG339 4.7 0.2 1.0
NE R:ARG339 5.0 0.8 1.0

Reference:

J.Stetefeld, M.D.Mcdougall, P.C.Loewen. Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Zinc Bound To Be Published.
Page generated: Mon Jul 29 11:55:38 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy