Calcium in PDB 4dh2: Crystal Structure of Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405

The structure of Crystal Structure of Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405, PDB code: 4dh2 was solved by V.D.Alves, A.L.Carvalho, S.H.Najmudin, J.Bras, J.A.M.Prates, C.M.G.A.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.30 / 1.75
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.760, 90.760, 135.070, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 21.5

The binding sites of Calcium atom in the Crystal Structure of Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405 (pdb code 4dh2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405, PDB code: 4dh2:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405


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 Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:20.1 occ:1.00 O B:VAL15 2.3 24.2 1.0 OD1 B:ASN11 2.3 22.9 1.0 OD1 B:ASP9 2.4 22.5 1.0 OD2 B:ASP20 2.4 19.5 1.0 O B:HOH201 2.4 22.4 1.0 OD1 B:ASP13 2.4 18.8 1.0 OD1 B:ASP20 2.5 19.1 1.0 CG B:ASP20 2.8 18.5 1.0 CG B:ASP13 3.3 28.0 1.0 CG B:ASN11 3.4 22.0 1.0 HA B:ASP9 3.4 23.9 1.0 H B:ASP13 3.4 35.6 1.0 CG B:ASP9 3.4 28.8 1.0 HG11 B:VAL15 3.5 34.9 1.0 C B:VAL15 3.5 22.4 1.0 H B:ASN11 3.5 26.0 1.0 H B:VAL15 3.5 31.4 1.0 HD22 B:ASN11 3.5 31.6 1.0 HA B:VAL16 3.6 29.0 1.0 OD2 B:ASP13 3.7 28.6 1.0 ND2 B:ASN11 3.8 26.4 1.0 H B:ASN17 4.0 21.5 1.0 CA B:ASP9 4.1 19.9 1.0 CB B:ASP9 4.2 23.5 1.0 N B:ASP13 4.2 29.6 1.0 N B:VAL15 4.2 26.2 1.0 CB B:ASP20 4.3 20.6 1.0 OD2 B:ASP9 4.3 31.2 1.0 N B:ASN11 4.3 21.6 1.0 H B:VAL10 4.3 27.3 1.0 HB2 B:ASP9 4.3 28.2 1.0 H B:ALA12 4.3 30.3 1.0 CG1 B:VAL15 4.4 29.1 1.0 N B:VAL16 4.4 24.7 1.0 CA B:VAL16 4.4 24.1 1.0 C B:ASP9 4.4 25.6 1.0 CB B:ASP13 4.4 30.9 1.0 CA B:VAL15 4.5 23.7 1.0 OD1 B:ASN17 4.5 21.4 1.0 H B:ASP20 4.5 20.4 1.0 N B:VAL10 4.5 22.8 1.0 HB3 B:ASP13 4.6 37.1 1.0 HG12 B:VAL15 4.6 34.9 1.0 CB B:ASN11 4.6 21.8 1.0 H B:GLY14 4.6 39.5 1.0 N B:ALA12 4.6 25.2 1.0 HB2 B:ASP20 4.7 24.7 1.0 N B:ASN17 4.7 17.9 1.0 HD21 B:ASN11 4.7 31.6 1.0 HB3 B:ASP20 4.7 24.7 1.0 CA B:ASP13 4.7 31.8 1.0 HB2 B:SER19 4.7 23.1 1.0 CA B:ASN11 4.8 21.6 1.0 C B:ASN11 4.9 27.0 1.0 N B:ASP20 4.9 17.0 1.0 N B:GLY14 4.9 32.9 1.0 HA B:ASP20 4.9 24.2 1.0 HG13 B:VAL15 5.0 34.9 1.0 C B:ASP13 5.0 38.0 1.0 HG22 B:VAL16 5.0 25.9 1.0 CA B:ASP20 5.0 20.2 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405


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 Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca102 b:21.2 occ:1.00 O B:HOH202 2.3 23.6 1.0 O B:VAL51 2.3 21.3 1.0 OD1 B:ASN47 2.3 23.0 1.0 OD1 B:ASP45 2.4 23.6 1.0 OD1 B:ASP49 2.4 23.1 1.0 OD1 B:ASP56 2.5 21.4 1.0 OD2 B:ASP56 2.5 20.9 1.0 CG B:ASP56 2.8 24.2 1.0 HA B:ASP45 3.2 29.5 1.0 CG B:ASP49 3.3 26.9 1.0 CG B:ASP45 3.4 27.9 1.0 H B:VAL51 3.4 26.2 1.0 C B:VAL51 3.4 19.7 1.0 CG B:ASN47 3.4 28.4 1.0 H B:ASP49 3.5 30.1 1.0 H B:ASN47 3.5 28.2 1.0 OD2 B:ASP49 3.6 23.9 1.0 HA B:ILE52 3.7 23.2 1.0 HD22 B:ASN47 3.7 35.5 1.0 HB B:VAL51 3.8 25.7 1.0 CA B:ASP45 3.9 24.6 1.0 ND2 B:ASN47 4.0 29.6 1.0 H B:GLY48 4.0 39.0 1.0 H B:VAL46 4.0 28.8 1.0 CB B:ASP45 4.0 25.5 1.0 HB2 B:ASP45 4.1 30.6 1.0 N B:VAL51 4.1 21.8 1.0 H B:ASN53 4.2 22.2 1.0 CA B:VAL51 4.3 15.6 1.0 N B:ASP49 4.3 25.0 1.0 CB B:ASP56 4.3 18.0 1.0 C B:ASP45 4.3 26.8 1.0 N B:ASN47 4.4 23.5 1.0 N B:VAL46 4.4 24.0 1.0 OD2 B:ASP45 4.4 27.5 1.0 N B:ILE52 4.4 17.7 1.0 CA B:ILE52 4.4 19.3 1.0 H B:ASP56 4.5 22.4 1.0 CB B:VAL51 4.5 21.4 1.0 HB B:ILE55 4.5 34.0 1.0 N B:GLY48 4.5 32.5 1.0 CB B:ASP49 4.6 33.2 1.0 OD1 B:ASN53 4.6 20.2 1.0 CB B:ASN47 4.6 25.6 1.0 H B:ASN50 4.7 31.9 1.0 HB2 B:ASP56 4.7 21.6 1.0 HG12 B:VAL51 4.8 28.3 1.0 HB3 B:ASP56 4.8 21.6 1.0 HA B:ASP56 4.8 24.5 1.0 N B:ASN53 4.8 18.5 1.0 N B:ASP56 4.8 18.7 1.0 CA B:ASP49 4.9 30.3 1.0 CA B:ASN47 4.9 27.1 1.0 HD21 B:ASN47 4.9 35.5 1.0 HB3 B:ASN47 4.9 30.7 1.0 N B:ASN50 4.9 26.6 1.0 HG22 B:ILE55 4.9 26.6 1.0 CA B:ASP56 4.9 20.4 1.0 HB3 B:ASP49 4.9 39.8 1.0 HB3 B:ASP45 5.0 30.6 1.0 C B:ASN47 5.0 34.3 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca101 b:29.5 occ:1.00 O D:VAL15 2.2 32.2 1.0 OD1 D:ASN11 2.4 36.9 1.0 OD2 D:ASP20 2.4 24.2 1.0 OD1 D:ASP9 2.4 36.3 1.0 OD1 D:ASP20 2.5 30.2 1.0 O D:HOH201 2.5 33.4 1.0 OD1 D:ASP13 2.5 32.7 1.0 CG D:ASP20 2.8 26.1 1.0 CG D:ASP13 3.3 36.6 1.0 CG D:ASN11 3.3 30.1 1.0 HA D:ASP9 3.3 43.0 1.0 HD22 D:ASN11 3.4 43.3 1.0 C D:VAL15 3.4 28.5 1.0 CG D:ASP9 3.4 40.6 1.0 H D:ASP13 3.4 55.7 1.0 HG21 D:VAL15 3.5 43.3 1.0 H D:VAL15 3.5 47.7 1.0 H D:ASN11 3.5 40.9 1.0 HA D:VAL16 3.6 38.9 1.0 OD2 D:ASP13 3.6 41.5 1.0 ND2 D:ASN11 3.7 36.1 1.0 H D:ASN17 3.9 30.5 1.0 CA D:ASP9 4.1 35.9 1.0 CB D:ASP9 4.1 38.3 1.0 N D:VAL15 4.2 39.7 1.0 HB2 D:ASP9 4.2 45.9 1.0 N D:ASP13 4.2 46.4 1.0 CB D:ASP20 4.3 23.5 1.0 OD2 D:ASP9 4.3 44.4 1.0 H D:VAL10 4.3 33.1 1.0 N D:VAL16 4.3 30.1 1.0 CA D:VAL15 4.3 37.5 1.0 N D:ASN11 4.4 34.1 1.0 CA D:VAL16 4.4 32.4 1.0 OD1 D:ASN17 4.4 27.2 1.0 CG2 D:VAL15 4.4 36.0 1.0 CB D:ASP13 4.4 44.4 1.0 C D:ASP9 4.5 39.1 1.0 H D:ALA12 4.5 53.2 1.0 H D:ASP20 4.5 28.9 1.0 HD21 D:ASN11 4.5 43.3 1.0 N D:VAL10 4.6 27.6 1.0 HB3 D:ASP13 4.6 53.3 1.0 N D:ASN17 4.6 25.4 1.0 H D:GLY14 4.6 46.8 1.0 CB D:ASN11 4.6 35.9 1.0 HB2 D:ASP20 4.7 28.2 1.0 HG22 D:VAL15 4.7 43.3 1.0 N D:ALA12 4.7 44.3 1.0 HB3 D:ASP20 4.7 28.2 1.0 HB2 D:SER19 4.7 34.3 1.0 CA D:ASP13 4.7 41.7 1.0 CA D:ASN11 4.8 38.3 1.0 N D:GLY14 4.9 39.0 1.0 C D:ASN11 4.9 45.0 1.0 C D:ASP13 4.9 40.5 1.0 CG D:ASN17 4.9 32.8 1.0 N D:ASP20 4.9 24.1 1.0 HA D:ASP20 5.0 31.1 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Coh-Olpc(CTHE_0452)-DOC435(CTHE_0435) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca102 b:27.1 occ:1.00 OD1 D:ASN47 2.2 32.5 1.0 OD1 D:ASP45 2.3 26.8 1.0 O D:VAL51 2.3 26.2 1.0 O D:HOH202 2.4 26.2 1.0 OD1 D:ASP49 2.4 30.5 1.0 OD1 D:ASP56 2.4 25.9 1.0 OD2 D:ASP56 2.4 25.6 1.0 CG D:ASP56 2.8 20.3 1.0 HA D:ASP45 3.2 32.6 1.0 CG D:ASP49 3.4 30.9 1.0 CG D:ASP45 3.4 31.4 1.0 CG D:ASN47 3.4 30.3 1.0 H D:VAL51 3.5 32.0 1.0 C D:VAL51 3.5 27.2 1.0 H D:ASP49 3.5 45.3 1.0 H D:ASN47 3.5 30.5 1.0 HA D:ILE52 3.7 33.1 1.0 OD2 D:ASP49 3.7 29.5 1.0 HB D:VAL51 3.7 32.8 1.0 HD22 D:ASN47 3.8 35.8 1.0 CA D:ASP45 3.9 27.1 1.0 H D:VAL46 3.9 38.6 1.0 HB2 D:ASP45 4.0 33.5 1.0 CB D:ASP45 4.0 27.9 1.0 ND2 D:ASN47 4.0 29.8 1.0 H D:GLY48 4.0 44.6 1.0 N D:VAL51 4.1 26.7 1.0 H D:ASN53 4.2 30.7 1.0 CB D:ASP56 4.3 23.7 1.0 CA D:VAL51 4.3 27.1 1.0 N D:VAL46 4.3 32.2 1.0 C D:ASP45 4.3 30.6 1.0 N D:ASN47 4.3 25.4 1.0 N D:ASP49 4.3 37.8 1.0 OD2 D:ASP45 4.4 33.9 1.0 HB D:ILE55 4.4 29.0 1.0 N D:ILE52 4.4 24.4 1.0 CA D:ILE52 4.4 27.6 1.0 CB D:VAL51 4.5 27.3 1.0 H D:ASP56 4.5 27.8 1.0 N D:GLY48 4.6 37.2 1.0 CB D:ASN47 4.6 31.4 1.0 CB D:ASP49 4.7 38.8 1.0 H D:ASN50 4.7 36.0 1.0 HB2 D:ASP56 4.7 28.5 1.0 HB3 D:ASP56 4.7 28.5 1.0 HA D:ASP56 4.8 28.2 1.0 HG12 D:VAL51 4.8 33.8 1.0 OD1 D:ASN53 4.8 26.1 1.0 N D:ASP56 4.8 23.2 1.0 HB3 D:ASN47 4.8 37.7 1.0 N D:ASN53 4.8 25.6 1.0 CA D:ASN47 4.9 31.0 1.0 HD21 D:ASN47 4.9 35.8 1.0 CA D:ASP49 4.9 36.1 1.0 CA D:ASP56 4.9 23.5 1.0 N D:ASN50 4.9 30.0 1.0 HG22 D:ILE55 4.9 28.8 1.0 HB3 D:ASP45 4.9 33.5 1.0

J.L.Bras, V.D.Alves, A.L.Carvalho, S.Najmudin, J.A.Prates, L.M.Ferreira, D.N.Bolam, M.J.Romao, H.J.Gilbert, C.M.Fontes. Novel Clostridium Thermocellum Type I Cohesin-Dockerin Complexes Reveal A Single Binding Mode. J.Biol.Chem. V. 287 44394 2012.
ISSN: ISSN 0021-9258
PubMed: 23118225
DOI: 10.1074/JBC.M112.407700