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Calcium in PDB 5g5d: Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum

Protein crystallography data

The structure of Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum, PDB code: 5g5d was solved by A.L.Carvalho, J.L.A Bras, S.H.Najmudin, B.A.Pinheiro, C.M.G.A.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 90.56 / 3.00
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 52.360, 125.805, 130.467, 90.00, 90.00, 90.00
R / Rfree (%) 25.6 / 30.3

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum (pdb code 5g5d). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum, PDB code: 5g5d:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 5g5d

Go back to Calcium Binding Sites List in 5g5d
Calcium binding site 1 out of 2 in the Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1164

b:64.4
occ:1.00
O B:ALA141 2.1 78.7 1.0
OD1 B:ASN139 2.4 83.4 1.0
OD1 B:ASP135 2.4 77.5 1.0
OD1 B:ASN137 2.5 81.2 1.0
OD1 B:ASP146 2.7 79.0 1.0
OD2 B:ASP146 2.9 78.0 1.0
CG B:ASP146 3.2 77.7 1.0
C B:ALA141 3.3 78.9 1.0
CG B:ASN137 3.3 81.5 1.0
ND2 B:ASN137 3.4 82.2 1.0
CG B:ASN139 3.4 85.6 1.0
CG B:ASP135 3.6 77.3 1.0
N B:ALA141 3.9 82.6 1.0
ND2 B:ASN139 4.0 86.8 1.0
CA B:ALA141 4.2 81.3 1.0
N B:ILE142 4.2 77.4 1.0
OD1 B:ASN143 4.2 81.7 1.0
N B:ASN139 4.2 83.5 1.0
OD2 B:ASP135 4.3 79.2 1.0
CA B:ILE142 4.3 75.7 1.0
N B:GLY140 4.5 84.6 1.0
CB B:ASN139 4.6 87.5 1.0
CG B:ASN143 4.6 82.0 1.0
ND2 B:ASN143 4.6 84.6 1.0
CB B:ASP135 4.6 74.8 1.0
CA B:ASP135 4.6 72.6 1.0
N B:ASN143 4.6 76.5 1.0
CB B:ASP146 4.7 75.6 1.0
CA B:ASN139 4.7 86.6 1.0
N B:ARG138 4.7 79.0 1.0
CB B:ASN137 4.8 81.4 1.0
C B:ASN139 4.8 87.0 1.0
CB B:ALA141 4.8 83.2 1.0
N B:ASN137 4.8 76.4 1.0
C B:ASP135 4.9 72.9 1.0
N B:ILE136 4.9 72.2 1.0
C B:ILE142 5.0 76.0 1.0

Calcium binding site 2 out of 2 in 5g5d

Go back to Calcium Binding Sites List in 5g5d
Calcium binding site 2 out of 2 in the Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the COHSCAC2-Xdoccipa Type II Complex From Clostridium Thermocellum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1165

b:62.3
occ:1.00
O B:VAL104 2.3 68.5 1.0
O B:SER108 2.3 68.9 1.0
OD2 B:ASP113 2.5 64.3 1.0
OD1 B:ASP106 2.7 71.5 1.0
OD1 B:ASP113 2.9 63.3 1.0
CG B:ASP113 3.1 63.5 1.0
CG B:ASP106 3.2 71.5 1.0
OD2 B:ASP106 3.3 70.8 1.0
C B:VAL104 3.5 68.1 1.0
C B:SER108 3.5 70.5 1.0
CG B:LYS102 3.6 72.5 1.0
OD1 B:ASN110 4.0 66.8 1.0
CB B:VAL104 4.0 67.6 1.0
N B:ASP106 4.0 70.9 1.0
CA B:VAL104 4.2 67.5 1.0
CA B:LYS102 4.2 70.8 1.0
N B:SER108 4.2 72.6 1.0
ND2 B:ASN110 4.3 69.0 1.0
N B:VAL104 4.3 67.5 1.0
CG B:ASN110 4.4 68.0 1.0
CA B:SER108 4.4 72.4 1.0
CB B:LYS102 4.4 71.7 1.0
N B:ILE109 4.4 70.7 1.0
CB B:ASP106 4.5 72.5 1.0
CA B:ILE109 4.5 69.7 1.0
CG1 B:VAL104 4.6 68.3 1.0
CB B:ASP113 4.6 63.5 1.0
N B:LYS105 4.6 68.6 1.0
CA B:ASP106 4.7 72.3 1.0
N B:ASN110 4.7 68.4 1.0
CB B:SER108 4.8 73.1 1.0
O B:GLY101 4.8 71.9 1.0
CA B:LYS105 4.8 69.6 1.0
C B:LYS105 4.8 70.4 1.0
CD B:LYS102 4.8 74.1 1.0
N B:ILE103 4.8 69.1 1.0
C B:LYS102 4.9 69.8 1.0

Reference:

J.L.Bras, B.A.Pinheiro, K.Cameron, F.Cuskin, A.Viegas, S.Najmudin, P.Bule, V.M.Pires, M.J.Romao, E.A.Bayer, H.L.Spencer, S.Smith, H.J.Gilbert, V.D.Alves, A.L.Carvalho, C.M.Fontes. Diverse Specificity of Cellulosome Attachment to the Bacterial Cell Surface. Sci Rep V. 6 38292 2016.
ISSN: ESSN 2045-2322
PubMed: 27924829
DOI: 10.1038/SREP38292
Page generated: Sat Dec 12 05:26:13 2020

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