Calcium in PDB 4uyq: High Resolution Structure of the Third Cohesin Scac in Complex with the Scab Dockerin with A Mutation in the C- Terminal Helix (in to Si) From Acetivibrio Cellulolyticus Displaying A Type I Interaction.

The structure of High Resolution Structure of the Third Cohesin Scac in Complex with the Scab Dockerin with A Mutation in the C- Terminal Helix (in to Si) From Acetivibrio Cellulolyticus Displaying A Type I Interaction., PDB code: 4uyq was solved by K.Cameron, C.M.G.A.Fontes, S.Najmudin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.17 / 1.81
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	68.170, 68.170, 57.140, 90.00, 90.00, 90.00
R / Rfree (%)	14.971 / 19.501

The binding sites of Calcium atom in the High Resolution Structure of the Third Cohesin Scac in Complex with the Scab Dockerin with A Mutation in the C- Terminal Helix (in to Si) From Acetivibrio Cellulolyticus Displaying A Type I Interaction. (pdb code 4uyq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the High Resolution Structure of the Third Cohesin Scac in Complex with the Scab Dockerin with A Mutation in the C- Terminal Helix (in to Si) From Acetivibrio Cellulolyticus Displaying A Type I Interaction., PDB code: 4uyq:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the High Resolution Structure of the Third Cohesin Scac in Complex with the Scab Dockerin with A Mutation in the C- Terminal Helix (in to Si) From Acetivibrio Cellulolyticus Displaying A Type I Interaction.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of High Resolution Structure of the Third Cohesin Scac in Complex with the Scab Dockerin with A Mutation in the C- Terminal Helix (in to Si) From Acetivibrio Cellulolyticus Displaying A Type I Interaction. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca200 b:26.7 occ:1.00 OD1 A:ASN135 2.2 16.4 1.0 O A:ILE6 2.3 17.0 1.0 OD1 A:ASP5 2.3 21.0 1.0 O A:HOH2014 2.4 21.0 1.0 O A:ASP136 2.4 14.2 1.0 O A:ASN135 2.9 14.9 1.0 CG A:ASN135 3.2 17.3 1.0 C A:ASP136 3.3 16.0 1.0 CG A:ASP5 3.4 24.0 1.0 C A:ILE6 3.5 15.9 1.0 C A:ASN135 3.5 14.6 1.0 O A:HOH2011 3.5 22.0 1.0 CB A:ASN135 3.8 15.6 1.0 N A:ILE6 3.9 14.3 1.0 OD2 A:ASP5 4.0 27.4 1.0 N A:ASP136 4.0 14.4 1.0 N A:GLY137 4.1 17.3 1.0 CA A:ASP136 4.2 16.7 1.0 CA A:GLY137 4.2 18.4 1.0 CA A:ILE6 4.2 14.6 1.0 CA A:ASN135 4.3 14.2 1.0 ND2 A:ASN135 4.3 19.5 1.0 N A:GLY7 4.4 15.6 1.0 CB A:ASP5 4.5 20.2 1.0 C A:ASP5 4.5 16.3 1.0 CA A:ASP5 4.5 17.5 1.0 OG A:SER8 4.5 16.0 1.0 O A:HOH2225 4.5 23.0 1.0 CA A:GLY7 4.5 16.5 1.0 O A:HOH2012 4.6 28.3 1.0 CB A:ILE6 4.6 14.3 1.0 C A:GLY7 4.7 17.8 1.0 N A:SER8 4.9 16.3 1.0

Calcium binding site 2 out of 3 in the High Resolution Structure of the Third Cohesin Scac in Complex with the Scab Dockerin with A Mutation in the C- Terminal Helix (in to Si) From Acetivibrio Cellulolyticus Displaying A Type I Interaction.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of High Resolution Structure of the Third Cohesin Scac in Complex with the Scab Dockerin with A Mutation in the C- Terminal Helix (in to Si) From Acetivibrio Cellulolyticus Displaying A Type I Interaction. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:15.1 occ:1.00 O B:SER12 2.3 14.9 1.0 O A:HOH2206 2.4 13.4 1.0 OD1 B:ASN10 2.4 18.7 1.0 OD1 B:ASP6 2.4 15.1 1.0 OD1 B:ASP8 2.4 18.6 1.0 OD2 B:ASP17 2.4 13.8 1.0 OD1 B:ASP17 2.6 15.3 1.0 CG B:ASP17 2.9 14.7 1.0 CG B:ASN10 3.4 20.3 1.0 CG B:ASP8 3.4 21.3 1.0 CG B:ASP6 3.4 16.0 1.0 C B:SER12 3.6 15.4 1.0 OD2 B:ASP8 3.9 21.2 1.0 ND2 B:ASN10 4.1 24.1 1.0 CA B:ASP6 4.1 14.5 1.0 CB B:ASP6 4.1 15.5 1.0 N B:SER12 4.2 18.2 1.0 N B:ASN10 4.3 19.9 1.0 OD2 B:ASP6 4.3 17.6 1.0 CB B:ASP17 4.4 13.4 1.0 CB B:ASN10 4.4 21.0 1.0 N B:ASP8 4.4 16.6 1.0 N B:ARG14 4.5 13.6 1.0 CA B:SER12 4.5 20.5 1.0 N B:VAL13 4.5 14.0 1.0 CA B:VAL13 4.5 13.9 1.0 C B:ASP6 4.5 15.8 1.0 OD1 B:ASN16 4.6 14.1 1.0 CB B:ASP8 4.6 20.1 1.0 N B:GLY9 4.6 19.0 1.0 N B:VAL7 4.7 15.6 1.0 CA B:ASN10 4.7 20.1 1.0 CB B:SER12 4.8 20.6 1.0 CG B:ARG14 4.8 15.9 1.0 CA B:ASP8 4.8 17.5 1.0 N B:GLY11 4.8 19.4 1.0 CB B:ARG14 4.9 15.0 1.0 C B:VAL13 4.9 14.2 1.0 C B:ASP8 5.0 18.7 1.0

Calcium binding site 3 out of 3 in the High Resolution Structure of the Third Cohesin Scac in Complex with the Scab Dockerin with A Mutation in the C- Terminal Helix (in to Si) From Acetivibrio Cellulolyticus Displaying A Type I Interaction.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of High Resolution Structure of the Third Cohesin Scac in Complex with the Scab Dockerin with A Mutation in the C- Terminal Helix (in to Si) From Acetivibrio Cellulolyticus Displaying A Type I Interaction. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:34.2 occ:1.00 OD1 B:ASP42 2.3 20.7 1.0 O B:SER48 2.3 23.3 1.0 OD1 B:ASP44 2.3 23.9 1.0 OD2 B:ASP53 2.4 19.6 1.0 O B:HOH2058 2.6 33.5 1.0 OD1 B:ASP53 2.6 17.5 1.0 O B:HOH2059 2.7 41.4 1.0 CG B:ASP53 2.8 17.7 1.0 CG B:ASP42 3.3 21.2 1.0 CG B:ASP44 3.3 24.6 1.0 C B:SER48 3.5 25.2 1.0 CA B:ASP42 3.9 17.1 1.0 OD2 B:ASP44 3.9 29.7 1.0 CB B:ASP42 4.0 19.0 1.0 N B:ASP44 4.0 18.7 1.0 OD2 B:ASP42 4.2 24.1 1.0 CA B:ILE49 4.2 20.8 1.0 N B:SER48 4.2 28.9 1.0 C B:ASP42 4.3 16.0 1.0 N B:ILE49 4.3 21.6 1.0 O B:HOH2061 4.3 35.7 1.0 CB B:ASP44 4.3 23.7 1.0 N B:GLY45 4.3 23.0 1.0 N B:ASN46 4.3 27.2 1.0 CB B:ASP53 4.4 15.5 1.0 N B:LYS50 4.4 21.2 1.0 N B:VAL43 4.4 14.2 1.0 CA B:ASP44 4.5 22.3 1.0 CA B:SER48 4.5 25.7 1.0 C B:ASP44 4.8 23.3 1.0 C B:ILE49 4.8 22.0 1.0 N B:GLY47 4.8 28.6 1.0 OG B:SER48 4.8 33.5 1.0 CB B:ASN46 4.9 32.5 1.0 CA B:ASN46 5.0 30.2 1.0 O B:ALA41 5.0 16.1 1.0 O B:ASP42 5.0 17.6 1.0

K.Cameron, S.Najmudin, V.D.Alves, E.A.Bayer, S.P.Smith, P.Bule, H.Waller, L.M.A.Ferreira, H.J.Gilbert, C.M.G.A.Fontes. Cell-Surface Attachment of Bacterial Multi-Enzyme Complexes Involves Highly Dynamic Protein-Protein Anchors. J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X
PubMed: 25855788
DOI: 10.1074/JBC.M114.633339