Atomistry » Chlorine » PDB 6n3x-6nde » 6ndc
Atomistry »
  Chlorine »
    PDB 6n3x-6nde »
      6ndc »

Chlorine in PDB 6ndc: Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Chromium Bound

Protein crystallography data

The structure of Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Chromium Bound, PDB code: 6ndc 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) 92.90 / 3.35
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 131.140, 131.140, 251.460, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 27.6

Other elements in 6ndc:

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

Chromium (Cr) 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 with Chromium Bound (pdb code 6ndc). 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 with Chromium Bound, PDB code: 6ndc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6ndc

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


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 with Chromium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:31.8
occ:1.00
 NH2 C:ARG339 3.3 88.5 1.0
NH2 O:ARG339 3.6 0.8 1.0
CZ O:ARG339 4.4 88.8 1.0
NH1 O:ARG339 4.5 93.8 1.0
CZ C:ARG339 4.6 80.0 1.0

Chlorine binding site 2 out of 9 in 6ndc

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


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 with Chromium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl401

b:37.8
occ:1.00
 OD1 F:ASP321 3.3 60.9 1.0
N E:LYS59 3.8 45.4 1.0
CD2 E:TYR60 3.9 47.0 1.0
N E:TYR60 3.9 50.5 1.0
CD2 E:LEU58 4.2 39.4 1.0
CB E:LYS59 4.3 57.7 1.0
CG F:ASP321 4.3 61.0 1.0
CA E:LEU58 4.4 42.0 1.0
CA E:LYS59 4.5 52.4 1.0
CB E:TYR60 4.5 43.5 1.0
OD2 F:ASP321 4.5 55.2 1.0
C E:LEU58 4.6 41.3 1.0
CG E:TYR60 4.7 43.7 1.0
C E:LYS59 4.7 58.2 1.0
CB E:LEU58 4.7 42.9 1.0
CA E:TYR60 4.8 45.0 1.0
CE2 E:TYR60 4.8 50.0 1.0
CB E:SER17 5.0 68.1 1.0
O E:TYR60 5.0 46.1 1.0

Chlorine binding site 3 out of 9 in 6ndc

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


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 with Chromium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl201

b:38.9
occ:1.00
 N G:GLY7 3.4 68.6 1.0
CA G:GLY7 3.7 63.2 1.0
NH1 C:ARG260 3.7 40.5 1.0
NH2 C:ARG260 3.7 44.8 1.0
CZ C:ARG260 4.2 42.9 1.0
CE C:LYS261 4.3 51.1 1.0
C G:GLY7 4.4 59.1 1.0
C G:PRO6 4.6 65.3 1.0
O G:TRP8 4.7 55.4 1.0
O G:GLY7 4.7 55.9 1.0
CA G:PRO6 4.9 57.1 1.0

Chlorine binding site 4 out of 9 in 6ndc

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


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 with Chromium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl401

b:38.0
occ:1.00
 OD2 I:ASP321 3.5 58.2 1.0
N H:LYS59 3.7 49.2 1.0
N H:TYR60 3.9 54.8 1.0
CD2 H:LEU58 4.1 54.8 1.0
CD2 H:TYR60 4.1 36.0 1.0
CA H:LEU58 4.2 47.6 1.0
OG H:SER17 4.2 63.4 1.0
CB H:LYS59 4.3 51.5 1.0
CG I:ASP321 4.3 64.0 1.0
OD1 I:ASP321 4.4 58.4 1.0
C H:LEU58 4.4 45.6 1.0
CA H:LYS59 4.4 52.7 1.0
CB H:LEU58 4.5 54.7 1.0
CB H:TYR60 4.5 38.6 1.0
C H:LYS59 4.7 62.9 1.0
CA H:TYR60 4.7 43.2 1.0
CG H:TYR60 4.8 35.6 1.0
O H:TYR60 4.8 39.5 1.0
CG H:LEU58 4.9 58.5 1.0
CE2 H:TYR60 5.0 38.7 1.0

Chlorine binding site 5 out of 9 in 6ndc

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


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 with Chromium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl202

b:57.5
occ:1.00
 NH2 J:ARG73 3.2 93.7 1.0
CD J:ARG75 3.6 71.2 1.0
NH1 J:ARG75 3.7 69.8 1.0
NE J:ARG75 4.2 71.8 1.0
CZ J:ARG75 4.3 75.0 1.0
CG J:ARG75 4.4 73.6 1.0
CZ J:ARG73 4.5 90.6 1.0
CB J:ARG75 4.6 76.9 1.0

Chlorine binding site 6 out of 9 in 6ndc

Go back to Chlorine Binding Sites List in 6ndc
Chlorine binding site 6 out of 9 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Chromium Bound


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 with Chromium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl201

b:49.0
occ:1.00
 NH2 K:ARG14 3.3 83.7 1.0
NH1 K:ARG14 4.1 73.8 1.0
CZ K:ARG14 4.2 76.7 1.0
ND1 K:HIS4 4.5 0.3 1.0
CE1 K:HIS4 4.8 96.5 1.0

Chlorine binding site 7 out of 9 in 6ndc

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


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 with Chromium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl403

b:38.2
occ:1.00
 NH2 L:ARG260 3.7 38.9 1.0
NH1 L:ARG260 3.9 34.0 1.0
CZ L:ARG260 4.3 35.1 1.0
CE L:LYS261 4.6 44.4 1.0

Chlorine binding site 8 out of 9 in 6ndc

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


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 with Chromium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl201

b:48.0
occ:1.00
 NH1 N:ARG91 3.1 57.1 1.0
NE2 M:GLN102 3.3 49.8 1.0
OE1 M:GLN102 3.9 60.6 1.0
CD M:GLN102 4.1 51.9 1.0
CZ N:ARG91 4.1 55.8 1.0
OE1 M:GLU100 4.4 37.4 1.0
NH2 N:ARG91 4.4 53.8 1.0
CE2 N:TYR94 4.5 45.2 1.0
O N:ASN109 4.6 31.8 1.0
OE2 M:GLU100 4.6 29.8 1.0
CD2 N:TYR94 4.8 44.3 1.0
CD M:GLU100 4.9 36.1 1.0

Chlorine binding site 9 out of 9 in 6ndc

Go back to Chlorine Binding Sites List in 6ndc
Chlorine binding site 9 out of 9 in the Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Chromium Bound


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 with Chromium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Cl403

b:35.4
occ:1.00
 NH2 R:ARG339 3.9 0.9 1.0
CZ R:ARG339 4.9 87.5 1.0
NE R:ARG339 5.0 81.2 1.0

Reference:

J.Stetefeld, M.D.Mcdougall, P.C.Loewen. Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Chromium Bound To Be Published.
Page generated: Sun Jul 28 20:34:46 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy