Calcium in PDB 3ul4: Crystal Structure of Coh-Olpa(CTHE_3080)-DOC918(CTHE_0918) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405

The structure of Crystal Structure of Coh-Olpa(CTHE_3080)-DOC918(CTHE_0918) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405, PDB code: 3ul4 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)	32.79 / 1.95
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	130.050, 130.050, 70.190, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.6

The binding sites of Calcium atom in the Crystal Structure of Coh-Olpa(CTHE_3080)-DOC918(CTHE_0918) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405 (pdb code 3ul4). 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 Coh-Olpa(CTHE_3080)-DOC918(CTHE_0918) Complex: A Novel Type I Cohesin-Dockerin Complex From Clostridium Thermocellum Attc 27405, PDB code: 3ul4:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Coh-Olpa(CTHE_3080)-DOC918(CTHE_0918) 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-Olpa(CTHE_3080)-DOC918(CTHE_0918) 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:Ca66 b:18.6 occ:1.00 OD1 B:ASN42 2.3 20.7 1.0 O B:HOH73 2.3 18.8 1.0 OD1 B:ASP40 2.3 23.3 1.0 O B:LYS46 2.4 19.8 1.0 OD1 B:ASP51 2.5 18.7 1.0 OD1 B:ASP44 2.5 20.5 1.0 OD2 B:ASP51 2.5 19.5 1.0 CG B:ASP51 2.8 19.8 1.0 HA B:ASP40 3.3 25.6 1.0 H B:ASP44 3.3 28.6 1.0 CG B:ASP44 3.3 20.3 1.0 CG B:ASN42 3.4 23.5 1.0 H B:LYS46 3.4 27.0 1.0 CG B:ASP40 3.5 26.2 1.0 C B:LYS46 3.5 20.8 1.0 H B:ASN42 3.6 22.2 1.0 HA B:VAL47 3.7 22.6 1.0 OD2 B:ASP44 3.7 21.3 1.0 HB2 B:LYS46 3.8 26.4 1.0 HD22 B:ASN42 3.8 26.8 1.0 CA B:ASP40 4.0 21.4 1.0 H B:LYS43 4.0 27.4 1.0 ND2 B:ASN42 4.0 22.4 1.0 H B:ASN48 4.1 21.6 1.0 N B:LYS46 4.1 22.5 1.0 N B:ASP44 4.1 23.8 1.0 CB B:ASP40 4.2 24.2 1.0 H B:VAL41 4.2 23.4 1.0 C B:ASP40 4.3 22.1 1.0 CA B:LYS46 4.3 22.0 1.0 N B:ASN42 4.3 18.5 1.0 CB B:ASP51 4.3 20.1 1.0 OD2 B:ASP40 4.3 23.3 1.0 N B:VAL47 4.4 20.6 1.0 N B:LYS43 4.4 22.8 1.0 N B:VAL41 4.4 19.5 1.0 CA B:VAL47 4.4 18.8 1.0 H B:GLY45 4.5 33.5 1.0 CB B:ASP44 4.5 24.1 1.0 HB2 B:ASP40 4.5 29.1 1.0 CB B:ASN42 4.5 23.5 1.0 CB B:LYS46 4.5 22.0 1.0 H B:ASP51 4.6 23.7 1.0 OD1 B:ASN48 4.6 20.2 1.0 HB3 B:ASN42 4.6 28.2 1.0 HB3 B:ASP44 4.7 28.9 1.0 CA B:ASP44 4.7 26.6 1.0 HB2 B:ASP51 4.7 24.1 1.0 HB3 B:ASP51 4.7 24.1 1.0 CA B:ASN42 4.7 23.4 1.0 HB B:THR50 4.8 22.5 1.0 N B:ASN48 4.8 18.0 1.0 C B:ASN42 4.8 28.6 1.0 N B:GLY45 4.8 27.9 1.0 HA B:ASP51 4.8 20.3 1.0 O B:ASP40 4.9 23.8 1.0 HD21 B:ASN42 4.9 26.8 1.0 N B:ASP51 4.9 19.7 1.0 HB3 B:LYS46 4.9 26.4 1.0 C B:ASP44 4.9 29.7 1.0 CA B:ASP51 5.0 16.9 1.0 HG22 B:VAL47 5.0 27.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Coh-Olpa(CTHE_3080)-DOC918(CTHE_0918) 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-Olpa(CTHE_3080)-DOC918(CTHE_0918) 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:Ca67 b:21.3 occ:1.00 O B:ILE13 2.3 26.3 1.0 OD1 B:ASP7 2.4 25.5 1.0 OD1 B:ASN9 2.4 23.4 1.0 OD1 B:ASN11 2.4 26.0 1.0 OD2 B:ASP18 2.5 19.5 1.0 OD1 B:ASP18 2.5 22.9 1.0 O B:HOH74 2.5 26.9 1.0 CG B:ASP18 2.8 21.8 1.0 H B:ASN11 3.3 34.9 1.0 CG B:ASN9 3.4 24.1 1.0 CG B:ASN11 3.4 32.5 1.0 CG B:ASP7 3.4 25.8 1.0 HA B:ASP7 3.5 27.1 1.0 C B:ILE13 3.5 21.6 1.0 H B:ASN9 3.6 29.1 1.0 HD22 B:ASN9 3.6 38.1 1.0 HA B:VAL14 3.6 23.0 1.0 H B:ILE13 3.7 31.8 1.0 HD22 B:ASN11 3.8 35.3 1.0 HG23 B:ILE13 3.8 38.8 1.0 ND2 B:ASN9 3.9 31.7 1.0 ND2 B:ASN11 4.0 29.4 1.0 HG22 B:ILE13 4.1 38.8 1.0 N B:ASN11 4.2 29.1 1.0 CA B:ASP7 4.2 22.6 1.0 H B:ASN15 4.2 20.9 1.0 OD2 B:ASP7 4.2 27.1 1.0 CB B:ASP7 4.3 27.3 1.0 N B:ASN9 4.3 24.2 1.0 N B:ILE13 4.3 26.5 1.0 CB B:ASP18 4.3 17.6 1.0 H B:ARG10 4.4 24.2 1.0 N B:VAL14 4.4 23.1 1.0 CG2 B:ILE13 4.4 32.3 1.0 CA B:VAL14 4.4 19.1 1.0 C B:ASP7 4.4 23.9 1.0 CA B:ILE13 4.5 25.6 1.0 HB2 B:ASP7 4.5 32.8 1.0 CB B:ASN11 4.5 27.4 1.0 H B:LEU8 4.6 23.6 1.0 OD1 B:ASN15 4.6 19.9 1.0 N B:ARG10 4.6 20.2 1.0 CB B:ASN9 4.6 27.9 1.0 N B:LEU8 4.7 19.7 1.0 H B:GLY12 4.7 37.5 1.0 HB3 B:ASN11 4.7 32.9 1.0 H B:ASP18 4.7 22.3 1.0 O1 B:SO468 4.7 42.1 1.0 HD21 B:ASN9 4.7 38.1 1.0 HB2 B:ASP18 4.7 21.1 1.0 CA B:ASN11 4.8 29.2 1.0 C B:ASN9 4.8 23.3 1.0 CA B:ASN9 4.8 23.6 1.0 HB3 B:ASP18 4.8 21.1 1.0 HD21 B:ASN11 4.8 35.3 1.0 N B:ASN15 4.8 17.4 1.0 HB3 B:GLU17 4.9 31.4 1.0 O B:ASP7 4.9 24.3 1.0 N B:GLY12 5.0 31.2 1.0 HA B:ASP18 5.0 27.2 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