Calcium in PDB 4u3s: Crystal Structure of COH3SCAB-XDOC_M1SCAA Complex: A N-Terminal Interface Mutant of Type II Cohesin-X-Dockerin Complex From Acetivibrio Cellulolyticus

The structure of Crystal Structure of COH3SCAB-XDOC_M1SCAA Complex: A N-Terminal Interface Mutant of Type II Cohesin-X-Dockerin Complex From Acetivibrio Cellulolyticus, PDB code: 4u3s was solved by V.D.Alves, K.Cameron, S.H.Najmudin, C.M.G.A.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.63 / 1.64
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	72.320, 72.320, 231.490, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 20.6

The binding sites of Calcium atom in the Crystal Structure of COH3SCAB-XDOC_M1SCAA Complex: A N-Terminal Interface Mutant of Type II Cohesin-X-Dockerin Complex From Acetivibrio Cellulolyticus (pdb code 4u3s). 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 COH3SCAB-XDOC_M1SCAA Complex: A N-Terminal Interface Mutant of Type II Cohesin-X-Dockerin Complex From Acetivibrio Cellulolyticus, PDB code: 4u3s:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of COH3SCAB-XDOC_M1SCAA Complex: A N-Terminal Interface Mutant of Type II Cohesin-X-Dockerin Complex From Acetivibrio Cellulolyticus


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 COH3SCAB-XDOC_M1SCAA Complex: A N-Terminal Interface Mutant of Type II Cohesin-X-Dockerin Complex From Acetivibrio Cellulolyticus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:16.2 occ:1.00 O B:ALA131 2.3 19.6 1.0 OD1 B:ASP121 2.3 17.9 1.0 OD1 B:ASP129 2.4 19.0 1.0 O B:HOH338 2.4 18.0 1.0 O B:HOH335 2.4 17.6 1.0 OD2 B:ASP136 2.5 17.2 1.0 OD1 B:ASP136 2.5 18.6 1.0 CG B:ASP136 2.8 19.1 1.0 CG B:ASP129 3.3 20.0 1.0 CG B:ASP121 3.5 18.4 1.0 C B:ALA131 3.5 17.6 1.0 OD2 B:ASP129 3.8 21.9 1.0 CA B:ASP121 3.9 17.8 1.0 N B:MET122 4.0 16.2 1.0 N B:ALA131 4.1 18.9 1.0 CB B:ASP121 4.2 17.1 1.0 N B:ASP129 4.2 18.1 1.0 C B:ASP121 4.3 17.2 1.0 CB B:ASP136 4.3 18.0 1.0 OD1 B:ASN133 4.3 18.7 1.0 O B:HOH408 4.3 35.4 1.0 CA B:ALA131 4.4 17.8 1.0 OD2 B:ASP121 4.4 17.9 1.0 CB B:ASP129 4.4 20.9 1.0 O B:MET122 4.5 19.2 1.0 N B:ILE132 4.5 17.0 1.0 ND2 B:ASN133 4.6 20.6 1.0 CA B:ILE132 4.6 17.0 1.0 CG B:ASN133 4.7 18.5 1.0 CA B:ASP129 4.7 19.5 1.0 O B:GLY120 4.7 18.6 1.0 N B:ASN133 4.8 16.9 1.0 N B:GLY130 4.8 19.3 1.0 CB B:ALA131 4.9 20.7 1.0 C B:ASP129 4.9 20.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of COH3SCAB-XDOC_M1SCAA Complex: A N-Terminal Interface Mutant of Type II Cohesin-X-Dockerin Complex From Acetivibrio Cellulolyticus


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 COH3SCAB-XDOC_M1SCAA Complex: A N-Terminal Interface Mutant of Type II Cohesin-X-Dockerin Complex From Acetivibrio Cellulolyticus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:19.7 occ:1.00 O B:ALA164 2.3 19.8 1.0 OD1 B:ASN160 2.3 20.0 1.0 OD1 B:ASP158 2.3 17.9 1.0 O B:HOH336 2.3 20.6 1.0 OD2 B:ASP169 2.4 19.8 1.0 OD1 B:ASP162 2.4 22.9 1.0 OD1 B:ASP169 2.4 19.5 1.0 CG B:ASP169 2.8 20.1 1.0 CG B:ASP162 3.3 24.4 1.0 CG B:ASP158 3.3 20.0 1.0 CG B:ASN160 3.4 20.6 1.0 C B:ALA164 3.4 20.3 1.0 OD2 B:ASP162 3.7 28.3 1.0 ND2 B:ASN160 4.0 23.4 1.0 OD2 B:ASP158 4.1 19.8 1.0 CA B:ASP158 4.1 18.3 1.0 N B:ALA164 4.2 21.4 1.0 CB B:ASP158 4.2 18.3 1.0 N B:ASP162 4.3 20.6 1.0 CB B:ASP169 4.3 18.3 1.0 CA B:ALA164 4.3 22.3 1.0 C B:ASP158 4.3 18.3 1.0 N B:ASN160 4.3 18.1 1.0 N B:ILE165 4.4 20.8 1.0 CA B:ILE165 4.4 19.5 1.0 CB B:ASP162 4.5 23.9 1.0 N B:LEU159 4.5 17.5 1.0 N B:ARG161 4.5 17.4 1.0 CB B:ASN160 4.6 19.7 1.0 OG B:SER166 4.6 20.8 1.0 CB B:ALA164 4.7 23.7 1.0 N B:SER166 4.7 20.1 1.0 CA B:ASN160 4.8 18.2 1.0 CA B:ASP162 4.8 21.8 1.0 O B:ASP158 4.9 18.9 1.0 C B:ASN160 4.9 18.4 1.0 N B:ASP169 4.9 19.6 1.0 N B:GLY163 4.9 24.0 1.0 CA B:ASP169 5.0 19.5 1.0

V.D.Alves, K.Cameron, S.H.Najmudin, C.M.G.A.Fontes. Crystal Structure of COH3SCAB-XDOC_M1SCAA Complex: A N-Terminal Interface Mutant of Type II Cohesin-X-Dockerin Complex From Acetivibrio Cellulolyticus To Be Published.