Atomistry » Chlorine » PDB 6n5z-6ndu » 6nde
Atomistry »
  Chlorine »
    PDB 6n5z-6ndu »
      6nde »

Chlorine in PDB 6nde: Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Prasedymium

Protein crystallography data

The structure of Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Prasedymium, PDB code: 6nde 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) 48.57 / 3.50
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 132.351, 132.351, 254.244, 90.00, 90.00, 90.00
R / Rfree (%) 29 / 36.9

Other elements in 6nde:

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

Praseodymium (Pr) 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 Prasedymium (pdb code 6nde). 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 Prasedymium, PDB code: 6nde:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6nde

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


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 Prasedymium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:100.0
occ:1.00
 NH2 C:ARG339 2.6 1.0 1.0
CZ C:ARG339 3.7 0.6 1.0
NE C:ARG339 4.0 0.3 1.0
NH2 O:ARG339 4.3 0.7 1.0
NH1 C:ARG339 4.7 0.7 1.0

Chlorine binding site 2 out of 9 in 6nde

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


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 Prasedymium within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl202

b:80.6
occ:1.00
 N E:LYS59 3.3 98.0 1.0
CB E:LYS59 3.8 0.8 1.0
CA E:LEU58 4.0 0.2 1.0
N E:TYR60 4.0 0.1 1.0
CA E:LYS59 4.0 0.4 1.0
C E:LEU58 4.1 99.6 1.0
CD2 E:LEU58 4.2 0.0 1.0
OD1 F:ASP321 4.3 0.7 1.0
CD2 E:TYR60 4.5 0.4 1.0
C E:LYS59 4.6 0.1 1.0
CB E:LEU58 4.6 0.6 1.0
O E:THR57 4.8 0.6 1.0
CG E:LYS59 4.9 0.0 1.0

Chlorine binding site 3 out of 9 in 6nde

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


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 Prasedymium within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl201

b:98.7
occ:1.00
 N G:GLY7 3.5 0.6 1.0
NH2 C:ARG260 3.7 0.6 1.0
CA G:GLY7 3.7 0.3 1.0
NH1 C:ARG260 3.9 0.9 1.0
CZ C:ARG260 4.2 0.5 1.0
C G:GLY7 4.3 0.0 1.0
CE C:LYS261 4.5 0.5 1.0
O G:GLY7 4.5 0.0 1.0
C G:PRO6 4.6 1.0 1.0
O G:TRP8 4.8 0.4 1.0
CA G:PRO6 5.0 0.9 1.0

Chlorine binding site 4 out of 9 in 6nde

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


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 Prasedymium within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl201

b:91.8
occ:1.00
 N H:LYS59 3.4 0.5 1.0
OD2 I:ASP321 3.8 0.7 1.0
N H:TYR60 3.9 0.9 1.0
CB H:LYS59 4.0 0.0 1.0
CA H:LEU58 4.1 0.3 1.0
CA H:LYS59 4.2 0.6 1.0
CD2 H:TYR60 4.2 0.8 1.0
CD2 H:LEU58 4.2 0.6 1.0
C H:LEU58 4.3 0.4 1.0
OG H:SER17 4.3 94.8 1.0
OD1 I:ASP321 4.5 0.2 1.0
C H:LYS59 4.5 0.4 1.0
CB H:LEU58 4.5 1.0 1.0
CG I:ASP321 4.6 0.6 1.0
CB H:TYR60 4.7 0.2 1.0
CA H:TYR60 4.8 0.0 1.0
CG H:TYR60 4.9 0.6 1.0
O H:TYR60 5.0 0.1 1.0

Chlorine binding site 5 out of 9 in 6nde

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


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 Prasedymium within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl202

b:0.3
occ:1.00
 NH1 J:ARG75 3.3 0.5 1.0
NH2 J:ARG73 3.6 0.4 1.0
CD J:ARG75 3.9 0.5 1.0
CZ J:ARG75 3.9 0.6 1.0
NE J:ARG75 4.2 0.7 1.0
NH2 J:ARG75 4.8 0.2 1.0
CZ J:ARG73 4.8 0.1 1.0
CG J:ARG75 4.8 0.1 1.0

Chlorine binding site 6 out of 9 in 6nde

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


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 Prasedymium within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl201

b:0.6
occ:1.00
 NH2 K:ARG14 4.0 0.9 1.0
NH1 K:ARG14 4.8 0.5 1.0
CZ K:ARG14 4.9 0.3 1.0

Chlorine binding site 7 out of 9 in 6nde

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


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 Prasedymium within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl403

b:91.0
occ:1.00
 NH2 L:ARG260 3.7 0.2 1.0
NH1 L:ARG260 4.0 0.6 1.0
CZ L:ARG260 4.3 0.3 1.0
CE L:LYS261 4.5 0.3 1.0

Chlorine binding site 8 out of 9 in 6nde

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


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 Prasedymium within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl201

b:91.9
occ:1.00
 NE2 M:GLN102 2.9 0.7 1.0
NH1 N:ARG91 3.4 0.5 1.0
OE1 M:GLN102 3.6 0.7 1.0
CD M:GLN102 3.7 0.3 1.0
CZ N:ARG91 4.2 0.9 1.0
NH2 N:ARG91 4.3 0.9 1.0
OE1 M:GLU100 4.3 98.6 1.0
OE2 M:GLU100 4.3 81.4 1.0
CD M:GLU100 4.7 85.7 1.0
O M:GLY99 5.0 0.2 1.0

Chlorine binding site 9 out of 9 in 6nde

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


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 Prasedymium within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Cl403

b:89.5
occ:1.00
 NH2 R:ARG339 3.9 0.1 1.0
CZ R:ARG339 4.9 0.8 1.0

Reference:

J.Stetefeld, M.D.Mcdougall, P.C.Loewen. Rhodocetin in Complex with the Integrin ALPHA2-A Domain with Prasedymium Bound To Be Published.
Page generated: Wed Oct 28 13:41:28 2020

Last articles

Xe in 6AYK
Xe in 6QII
Xe in 6ASM
Xe in 5NSW
Xe in 6FY9
Xe in 5O1K
Xe in 5O27
Xe in 5M69
Xe in 5KPU
Xe in 5I63
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy