Calcium in PDB 6x6q: Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain

The structure of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain, PDB code: 6x6q was solved by S.Guo, P.L.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.46 / 2.17
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.165, 60.717, 63.658, 66.61, 72.54, 68.58
R / Rfree (%)	17.3 / 20.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Calcium atom in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain (pdb code 6x6q). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 16 binding sites of Calcium where determined in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain, PDB code: 6x6q:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 16 in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2601 b:32.5 occ:1.00 O A:HOH3031 2.3 32.0 1.0 O A:GLU79 2.3 28.0 1.0 OD1 A:ASP77 2.3 29.3 1.0 O A:HOH2832 2.5 27.0 1.0 O A:HOH3077 2.5 37.4 1.0 OD2 A:ASP77 2.5 24.8 1.0 O A:HOH3067 2.6 31.0 1.0 CG A:ASP77 2.7 25.3 1.0 C A:GLU79 3.5 23.7 1.0 HA A:PHE80 3.7 31.2 1.0 HB3 A:PHE80 3.7 30.8 1.0 H A:GLU79 3.8 33.9 1.0 CB A:ASP77 4.2 25.3 1.0 CA A:PHE80 4.3 26.0 1.0 HB3 A:GLU79 4.3 40.2 1.0 N A:PHE80 4.4 23.3 1.0 O A:HOH2761 4.4 40.7 1.0 CB A:PHE80 4.4 25.6 1.0 N A:GLU79 4.4 28.3 1.0 CA A:GLU79 4.5 30.4 1.0 H A:ASN50 4.5 32.6 1.0 O A:HOH2973 4.6 26.9 1.0 HG2 A:GLU79 4.6 52.9 1.0 HB2 A:ASP77 4.6 30.4 1.0 HB3 A:ASP77 4.7 30.4 1.0 HB2 A:PHE80 4.7 30.8 1.0 HA A:ASP77 4.8 32.4 1.0 O A:THR48 4.8 27.3 1.0 HA A:ILE49 4.8 30.9 1.0 CB A:GLU79 4.8 33.5 1.0 O A:HOH3184 4.8 46.3 1.0 CA A:ASP77 5.0 27.0 1.0

Calcium binding site 2 out of 16 in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2602 b:28.1 occ:1.00 O A:THR101 2.3 28.3 1.0 O A:HOH2917 2.3 30.8 1.0 O A:HOH3082 2.4 22.9 1.0 O A:HOH3002 2.4 19.8 1.0 OD2 A:ASP17 2.5 30.1 1.0 O A:HOH2773 2.5 23.3 1.0 OD1 A:ASP17 2.6 24.8 1.0 CG A:ASP17 2.9 25.0 1.0 H A:THR101 3.5 29.4 1.0 C A:THR101 3.5 27.0 1.0 HA A:ALA12 3.6 27.9 1.0 HA A:HIS102 3.9 33.7 1.0 HG12 A:ILE13 3.9 28.5 1.0 HG1 A:THR101 4.0 43.4 1.0 H A:ILE13 4.0 25.9 1.0 HB3 A:HIS102 4.0 27.6 1.0 N A:THR101 4.1 24.5 1.0 O A:HOH2964 4.2 25.4 1.0 HG A:SER100 4.3 27.2 1.0 OG A:SER100 4.3 22.7 1.0 O A:HOH2931 4.3 28.7 1.0 CB A:ASP17 4.4 25.7 1.0 N A:HIS102 4.4 25.6 1.0 CA A:THR101 4.4 26.3 1.0 OG1 A:THR101 4.4 36.1 1.0 CA A:HIS102 4.5 28.1 1.0 CA A:ALA12 4.5 23.3 1.0 HB2 A:ASP17 4.6 30.9 1.0 HA A:SER100 4.6 27.9 1.0 CA A:CA2610 4.6 63.8 1.0 CB A:HIS102 4.7 23.0 1.0 O A:HOH2852 4.7 40.2 1.0 N A:ILE13 4.7 21.6 1.0 HB3 A:ASP17 4.8 30.9 1.0 O A:HOH2967 4.8 47.1 1.0 CG1 A:ILE13 4.8 23.7 1.0 O A:ASN11 4.9 24.0 1.0 HA A:ASP17 5.0 27.7 1.0

Calcium binding site 3 out of 16 in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2603 b:17.0 occ:1.00 OD2 A:ASP492 2.3 16.9 1.0 O A:ARG161 2.3 17.5 1.0 OD1 A:ASP191 2.4 17.8 1.0 OD1 A:ASP426 2.4 18.8 1.0 OE2 A:GLU116 2.6 15.7 1.0 OE1 A:GLU116 2.6 15.9 1.0 OD2 A:ASP426 2.7 18.3 1.0 ND1 A:HIS163 2.7 16.8 1.0 CG A:ASP426 2.9 20.5 1.0 CD A:GLU116 2.9 19.2 1.0 H A:HIS163 3.3 21.1 1.0 CG A:ASP492 3.4 18.8 1.0 HA A:ASP191 3.5 22.5 1.0 CG A:ASP191 3.5 19.8 1.0 CE1 A:HIS163 3.5 19.6 1.0 HE1 A:HIS163 3.5 23.6 1.0 H A:SER192 3.5 24.4 1.0 C A:ARG161 3.6 18.5 1.0 HB2 A:HIS163 3.6 22.8 1.0 H A:ARG161 3.6 23.0 1.0 CG A:HIS163 3.8 20.6 1.0 CA A:CA2604 3.9 18.4 1.0 OD1 A:ASP492 3.9 18.6 1.0 HG A:SER192 4.0 25.7 1.0 N A:HIS163 4.0 17.5 1.0 HG13 A:VAL160 4.0 25.4 1.0 HA A:ASP162 4.1 22.3 1.0 CB A:HIS163 4.1 19.0 1.0 O A:HOH2778 4.2 22.6 1.0 CB A:ASP191 4.2 18.9 1.0 CA A:ASP191 4.2 18.7 1.0 HB2 A:ARG161 4.3 23.4 1.0 N A:ARG161 4.3 19.1 1.0 HB2 A:ASP191 4.3 22.7 1.0 N A:SER192 4.3 20.3 1.0 OD2 A:ASP191 4.4 21.3 1.0 CB A:ASP426 4.4 21.5 1.0 CG A:GLU116 4.4 18.8 1.0 CA A:ARG161 4.4 19.9 1.0 N A:ASP162 4.5 17.5 1.0 CA A:ASP162 4.6 18.6 1.0 HB3 A:ASP492 4.7 22.9 1.0 HB3 A:ASP426 4.7 25.8 1.0 CB A:ASP492 4.7 19.1 1.0 HG2 A:GLU116 4.7 22.6 1.0 NE2 A:HIS163 4.7 18.4 1.0 CA A:HIS163 4.7 23.0 1.0 OG A:SER192 4.8 21.4 1.0 C A:ASP162 4.8 20.5 1.0 HB2 A:ASP426 4.8 25.8 1.0 O A:SER192 4.8 15.8 1.0 CD2 A:HIS163 4.9 17.5 1.0 CB A:ARG161 4.9 19.5 1.0 HG3 A:GLU116 4.9 22.6 1.0 CG1 A:VAL160 4.9 21.1 1.0 C A:ASP191 4.9 21.7 1.0 HA A:ASP426 4.9 29.3 1.0 HG12 A:VAL160 4.9 25.4 1.0 HB3 A:HIS163 5.0 22.8 1.0 HB3 A:GLU116 5.0 21.5 1.0

Calcium binding site 4 out of 16 in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2604 b:18.4 occ:1.00 O A:SER192 2.3 15.8 1.0 OD1 A:ASP492 2.3 18.6 1.0 OD2 A:ASP426 2.3 18.3 1.0 OG A:SER494 2.3 18.4 1.0 OD2 A:ASP490 2.4 15.6 1.0 OD1 A:ASP191 2.5 17.8 1.0 OD2 A:ASP191 2.5 21.3 1.0 CG A:ASP191 2.8 19.8 1.0 HB2 A:SER494 3.0 18.4 1.0 CG A:ASP490 3.2 17.4 1.0 OD1 A:ASP490 3.2 16.7 1.0 CB A:SER494 3.2 15.3 1.0 CG A:ASP492 3.3 18.8 1.0 H A:SER494 3.5 21.7 1.0 CG A:ASP426 3.5 20.5 1.0 C A:SER192 3.5 17.5 1.0 OD2 A:ASP492 3.5 16.9 1.0 HA A:ALA193 3.7 25.8 1.0 H A:SER192 3.7 24.4 1.0 HB3 A:SER494 3.8 18.4 1.0 CA A:CA2603 3.9 17.0 1.0 O A:HOH2806 3.9 24.4 1.0 HB2 A:ASP426 3.9 25.8 1.0 H A:ASP492 4.1 26.2 1.0 N A:SER192 4.1 20.3 1.0 N A:SER494 4.2 18.1 1.0 HG A:SER192 4.2 25.7 1.0 CB A:ASP426 4.3 21.5 1.0 CB A:ASP191 4.3 18.9 1.0 CA A:SER494 4.3 17.1 1.0 OE2 A:GLU116 4.4 15.7 1.0 OD1 A:ASP426 4.4 18.8 1.0 N A:ALA193 4.4 15.7 1.0 CA A:SER192 4.4 18.5 1.0 CA A:ALA193 4.4 21.4 1.0 OG A:SER192 4.6 21.4 1.0 CB A:ASP490 4.6 20.4 1.0 HB3 A:ASP426 4.6 25.8 1.0 HB2 A:ALA193 4.6 22.2 1.0 CB A:ASP492 4.6 19.1 1.0 HB3 A:ASP191 4.6 22.7 1.0 HD3 A:PRO194 4.8 25.7 1.0 HB2 A:HIS163 4.8 22.8 1.0 HB2 A:ASP490 4.8 24.5 1.0 N A:ASP492 4.8 21.8 1.0 HB2 A:ASP191 4.8 22.7 1.0 C A:ASP191 4.8 21.7 1.0 HA A:SER494 4.8 20.6 1.0 C A:ASP492 4.9 19.7 1.0 HA A:ASP191 4.9 22.5 1.0 HB3 A:ASP490 4.9 24.5 1.0 CA A:ASP191 5.0 18.7 1.0

Calcium binding site 5 out of 16 in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2605 b:16.3 occ:1.00 OD1 A:ASP165 2.3 16.1 1.0 O A:ASP162 2.4 19.8 1.0 O A:VAL167 2.4 20.4 1.0 O A:HOH2783 2.5 16.8 1.0 O A:HOH2883 2.5 15.5 1.0 OD1 A:ASP169 2.5 22.6 1.0 OD2 A:ASP169 2.6 19.8 1.0 CG A:ASP169 2.8 19.0 1.0 CG A:ASP165 3.3 20.0 1.0 HA A:HIS163 3.3 27.7 1.0 C A:ASP162 3.5 20.5 1.0 C A:VAL167 3.5 23.8 1.0 HB A:VAL167 3.6 27.0 1.0 H A:VAL167 3.6 23.7 1.0 H A:ASP165 3.6 22.9 1.0 OD2 A:ASP165 3.7 21.6 1.0 CA A:HIS163 4.1 23.0 1.0 HH21 A:ARG161 4.1 26.0 1.0 HB3 A:ARG161 4.1 23.4 1.0 N A:VAL167 4.2 19.8 1.0 HE A:ARG161 4.2 23.4 1.0 CA A:VAL167 4.2 21.1 1.0 N A:HIS163 4.2 17.5 1.0 HB3 A:ASP162 4.3 25.8 1.0 CB A:ASP169 4.3 20.2 1.0 CB A:VAL167 4.3 22.4 1.0 N A:ASP165 4.3 19.0 1.0 C A:SER168 4.4 21.3 1.0 O A:SER168 4.4 19.7 1.0 O A:HOH2710 4.4 37.6 1.0 C A:HIS163 4.5 22.9 1.0 O A:ASP165 4.5 19.6 1.0 N A:ASP169 4.5 21.1 1.0 CB A:ASP165 4.6 19.1 1.0 CA A:ASP162 4.6 18.6 1.0 H A:ASP162 4.6 21.0 1.0 C A:ASP165 4.6 21.1 1.0 N A:SER168 4.6 26.6 1.0 HG12 A:VAL167 4.6 28.4 1.0 N A:ASP162 4.7 17.5 1.0 HB2 A:ASP169 4.7 24.3 1.0 HA A:SER168 4.7 25.4 1.0 CA A:ASP165 4.7 21.0 1.0 O A:HOH3006 4.7 17.9 1.0 H A:GLY164 4.8 24.8 1.0 NH2 A:ARG161 4.8 21.6 1.0 HA A:ASP169 4.8 25.3 1.0 N A:GLY164 4.8 20.6 1.0 H A:ASP169 4.8 25.3 1.0 HB3 A:ASP169 4.8 24.3 1.0 CA A:ASP169 4.8 21.1 1.0 CA A:SER168 4.8 21.2 1.0 CB A:ASP162 4.9 21.5 1.0 NE A:ARG161 4.9 19.5 1.0 HB3 A:ASP165 5.0 22.9 1.0 O A:HIS163 5.0 22.1 1.0

Calcium binding site 6 out of 16 in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2606 b:18.4 occ:1.00 O A:VAL197 2.3 19.4 1.0 OD1 A:ASP199 2.3 24.7 1.0 O A:ILE412 2.3 19.7 1.0 OD1 A:ASP421 2.4 19.2 1.0 OH A:TYR486 2.5 18.5 1.0 O A:HOH2751 2.5 22.9 1.0 OD2 A:ASP199 2.5 20.7 1.0 CG A:ASP199 2.7 21.6 1.0 H A:VAL197 3.2 25.0 1.0 CG A:ASP421 3.3 20.4 1.0 HB A:ILE412 3.3 22.9 1.0 C A:VAL197 3.5 20.6 1.0 C A:ILE412 3.5 20.0 1.0 OD2 A:ASP421 3.5 19.7 1.0 CZ A:TYR486 3.7 19.7 1.0 HB A:VAL197 3.7 25.6 1.0 HE2 A:TYR486 3.7 24.4 1.0 N A:VAL197 3.9 20.8 1.0 HA A:ILE412 3.9 22.6 1.0 H A:ASP421 3.9 27.2 1.0 HD22 A:ASN416 4.0 32.0 1.0 CA A:ILE412 4.1 18.8 1.0 CB A:ILE412 4.1 19.1 1.0 CA A:VAL197 4.1 21.5 1.0 CE2 A:TYR486 4.1 20.3 1.0 CB A:ASP199 4.2 22.6 1.0 HD13 A:ILE412 4.2 22.8 1.0 HA A:PHE413 4.3 28.8 1.0 CB A:VAL197 4.4 21.3 1.0 C A:ASP198 4.4 23.2 1.0 O A:ASP198 4.4 23.3 1.0 O A:ASP414 4.4 25.4 1.0 HB3 A:ALA498 4.4 23.3 1.0 N A:ASP421 4.5 22.7 1.0 N A:ASP198 4.6 20.1 1.0 CB A:ASP421 4.6 20.1 1.0 N A:ASP199 4.6 22.5 1.0 N A:PHE413 4.6 21.6 1.0 HG22 A:ILE412 4.6 26.4 1.0 HG12 A:VAL197 4.7 29.2 1.0 HB2 A:ASP199 4.7 27.1 1.0 HB3 A:ASP199 4.7 27.1 1.0 HB1 A:ALA498 4.7 23.3 1.0 HA A:ASP198 4.7 27.9 1.0 HA A:ASP199 4.8 28.1 1.0 ND2 A:ASN416 4.8 26.6 1.0 CE1 A:TYR486 4.8 17.7 1.0 O A:GLY419 4.8 25.2 1.0 HB2 A:ASP421 4.8 24.2 1.0 CA A:ASP199 4.8 23.4 1.0 HB1 A:ALA196 4.8 22.7 1.0 CA A:PHE413 4.8 24.0 1.0 CA A:ASP198 4.8 23.2 1.0 HA A:ALA196 4.9 23.0 1.0 HE1 A:TYR486 4.9 21.3 1.0 HA A:ASP421 4.9 27.3 1.0 HA A:ALA420 4.9 26.9 1.0 H A:ASP199 4.9 27.0 1.0 CB A:ALA498 4.9 19.4 1.0 CG2 A:ILE412 4.9 22.0 1.0 HD21 A:ASN416 5.0 32.0 1.0 CA A:ASP421 5.0 22.8 1.0 O A:HOH2870 5.0 23.9 1.0

Calcium binding site 7 out of 16 in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2607 b:16.7 occ:1.00 OD1 A:ASN290 2.3 21.4 1.0 OE2 A:GLU330 2.4 17.7 1.0 OD2 A:ASP342 2.4 17.1 1.0 O A:TYR291 2.4 18.8 1.0 OE1 A:GLU385 2.5 16.9 1.0 OXT B:ASP519 2.6 20.5 1.0 OE2 A:GLU385 2.6 20.9 1.0 O B:ASP519 2.7 21.9 1.0 CD A:GLU385 2.9 19.7 1.0 HG3 A:GLU330 3.1 20.9 1.0 C B:ASP519 3.1 24.1 1.0 HG A:SER260 3.2 21.0 1.0 CD A:GLU330 3.3 18.0 1.0 CG A:ASN290 3.4 18.6 1.0 CG A:ASP342 3.4 17.5 1.0 HA A:PRO292 3.4 28.5 1.0 C A:TYR291 3.5 21.4 1.0 CG A:GLU330 3.6 17.4 1.0 HD21 A:ASN290 3.6 24.0 1.0 OD1 A:ASP342 3.7 17.7 1.0 HD21 A:ASN333 3.8 26.0 1.0 ND2 A:ASN290 3.9 20.0 1.0 O A:HOH2752 3.9 17.7 1.0 OG A:SER260 3.9 17.4 1.0 HG2 A:GLU330 4.0 20.9 1.0 H A:VAL293 4.0 27.1 1.0 CA A:CA2608 4.0 21.1 1.0 H A:TYR291 4.1 21.7 1.0 CA A:PRO292 4.2 23.7 1.0 N A:TYR291 4.2 18.0 1.0 HG22 A:VAL293 4.2 23.3 1.0 N A:PRO292 4.2 21.9 1.0 HA A:ASN290 4.3 22.9 1.0 OE1 A:GLU330 4.3 18.6 1.0 HA A:GLU385 4.3 24.6 1.0 CG A:GLU385 4.4 22.2 1.0 CA A:TYR291 4.5 18.6 1.0 C A:ASN290 4.6 18.7 1.0 ND2 A:ASN333 4.6 21.7 1.0 CA B:ASP519 4.6 23.0 1.0 N A:VAL293 4.6 22.6 1.0 CB A:ASN290 4.6 17.9 1.0 HG13 A:VAL293 4.7 23.0 1.0 HA A:GLU330 4.7 25.2 1.0 CB A:ASP342 4.7 19.0 1.0 HB2 A:ASP342 4.7 22.9 1.0 CA A:ASN290 4.7 19.1 1.0 OD1 A:ASN333 4.7 23.6 1.0 HD22 A:ASN290 4.8 24.0 1.0 HB3 B:ASP519 4.8 30.7 1.0 HG2 A:GLU385 4.8 26.6 1.0 C A:PRO292 4.9 19.5 1.0 HG3 A:GLU385 4.9 26.6 1.0 CB A:GLU330 4.9 17.2 1.0 HA A:TYR291 5.0 22.4 1.0

Calcium binding site 8 out of 16 in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2608 b:21.1 occ:1.00 O A:SER340 2.3 17.8 1.0 OD1 A:ASP342 2.3 17.7 1.0 O A:THR331 2.4 22.9 1.0 OE2 A:GLU385 2.4 20.9 1.0 OD1 A:ASN333 2.5 23.6 1.0 OXT B:ASP519 2.5 20.5 1.0 OG1 A:THR331 2.6 23.1 1.0 H A:THR331 3.1 25.0 1.0 HG1 A:THR331 3.2 27.8 1.0 C A:THR331 3.3 22.6 1.0 CD A:GLU385 3.3 19.7 1.0 N A:THR331 3.4 20.8 1.0 CG A:ASP342 3.4 17.5 1.0 C A:SER340 3.4 21.9 1.0 C B:ASP519 3.6 24.1 1.0 CG A:ASN333 3.6 21.4 1.0 CA A:THR331 3.6 22.6 1.0 CB A:THR331 3.7 23.1 1.0 HG2 A:GLU385 3.7 26.6 1.0 HA A:SER340 3.8 28.7 1.0 HB3 A:SER340 3.9 31.1 1.0 OD2 A:ASP342 3.9 17.1 1.0 HA B:ASP519 3.9 27.6 1.0 CG A:GLU385 4.0 22.2 1.0 HD21 A:ASN290 4.0 24.0 1.0 HD21 A:ASN333 4.0 26.0 1.0 HG3 A:GLU330 4.0 20.9 1.0 CA A:CA2607 4.0 16.7 1.0 HG3 A:GLU385 4.1 26.6 1.0 CA A:SER340 4.1 23.9 1.0 O A:ARG341 4.1 18.8 1.0 OE1 A:GLU385 4.2 16.9 1.0 C A:ARG341 4.2 20.0 1.0 HA A:ASN333 4.2 36.5 1.0 O A:PRO332 4.2 28.4 1.0 ND2 A:ASN333 4.2 21.7 1.0 C A:GLU330 4.2 23.2 1.0 CA B:ASP519 4.3 23.0 1.0 HB A:THR331 4.3 27.7 1.0 C A:PRO332 4.3 23.8 1.0 HB3 B:ASP519 4.3 30.7 1.0 N A:ASP342 4.3 17.8 1.0 HA A:ASP342 4.3 22.2 1.0 HA A:GLU330 4.4 25.2 1.0 N A:PRO332 4.4 26.6 1.0 O B:ASP519 4.5 21.9 1.0 N A:ARG341 4.5 22.8 1.0 CB A:SER340 4.5 25.9 1.0 N A:ASN333 4.5 25.6 1.0 HA A:THR331 4.6 27.1 1.0 HG23 A:THR331 4.6 24.8 1.0 H A:ASP342 4.6 21.4 1.0 CB A:ASP342 4.6 19.0 1.0 HA A:ARG341 4.6 26.4 1.0 CA A:ASP342 4.7 18.4 1.0 CA A:ASN333 4.7 30.4 1.0 CA A:ARG341 4.7 21.9 1.0 CB A:ASN333 4.7 27.2 1.0 CG2 A:THR331 4.8 20.6 1.0 ND2 A:ASN290 4.8 20.0 1.0 CA A:PRO332 4.8 29.1 1.0 CB B:ASP519 4.9 25.6 1.0 CA A:GLU330 4.9 21.0 1.0 O A:GLU330 4.9 23.4 1.0 H A:ASN333 4.9 30.7 1.0 HA A:PRO332 5.0 34.9 1.0 CG A:GLU330 5.0 17.4 1.0

Calcium binding site 9 out of 16 in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2609 b:23.5 occ:1.00 O A:THR18 2.3 23.1 1.0 O A:HOH2739 2.3 25.1 1.0 OE2 A:GLU23 2.4 26.1 1.0 OD1 A:ASP16 2.4 30.0 1.0 OE1 A:GLU23 2.5 18.1 1.0 OG1 A:THR14 2.5 23.3 1.0 CD A:GLU23 2.8 21.8 1.0 HB A:THR14 3.1 29.2 1.0 CG A:ASP16 3.3 33.1 1.0 CB A:THR14 3.3 24.3 1.0 OD2 A:ASP16 3.4 30.0 1.0 HG21 A:THR14 3.5 28.1 1.0 H A:THR18 3.5 25.1 1.0 C A:THR18 3.5 21.1 1.0 HA A:ILE19 3.8 25.4 1.0 H A:ASP16 3.8 35.8 1.0 CG2 A:THR14 3.9 23.4 1.0 H A:ASP20 4.0 27.1 1.0 HG23 A:THR18 4.2 33.3 1.0 N A:THR18 4.2 20.9 1.0 OD2 A:ASP20 4.2 26.9 1.0 HG23 A:THR14 4.3 28.1 1.0 CG A:GLU23 4.3 23.4 1.0 CA A:THR18 4.4 21.5 1.0 N A:ILE19 4.4 21.1 1.0 HD13 A:ILE19 4.5 25.3 1.0 CA A:ILE19 4.5 21.1 1.0 H A:SER15 4.5 30.8 1.0 O A:ILE13 4.5 24.1 1.0 N A:ASP20 4.6 22.6 1.0 HB3 A:ASP20 4.6 29.9 1.0 N A:ASP16 4.6 29.8 1.0 CA A:THR14 4.7 27.8 1.0 CG A:ASP20 4.7 25.0 1.0 HG2 A:GLU23 4.7 28.2 1.0 CB A:ASP16 4.7 30.7 1.0 HG3 A:GLU23 4.7 28.2 1.0 OG1 A:THR18 4.7 34.8 1.0 HG22 A:THR14 4.7 28.1 1.0 HG A:SER15 4.7 42.5 1.0 H A:ASP17 4.8 31.6 1.0 N A:SER15 4.8 25.7 1.0 HB2 A:GLU23 4.9 26.5 1.0 C A:THR14 4.9 28.2 1.0 C A:ILE19 4.9 22.6 1.0 CB A:THR18 5.0 28.0 1.0 CG2 A:THR18 5.0 27.7 1.0

Calcium binding site 10 out of 16 in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2610 b:63.8 occ:1.00 O A:HOH2852 2.5 40.2 1.0 O A:HOH2757 2.7 33.4 1.0 O A:HOH3078 2.7 42.1 1.0 OD2 A:ASP17 3.0 30.1 1.0 O A:HOH2917 3.1 30.8 1.0 HG A:SER103 3.9 45.3 1.0 HG1 A:THR101 3.9 43.4 1.0 HB3 A:ASP17 4.0 30.9 1.0 CG A:ASP17 4.1 25.0 1.0 HA A:HIS102 4.1 33.7 1.0 CB A:ASP17 4.6 25.7 1.0 O A:THR101 4.6 28.3 1.0 CA A:CA2602 4.6 28.1 1.0 OG A:SER103 4.6 37.7 1.0 OG1 A:THR101 4.7 36.1 1.0 O A:ASP17 4.9 23.6 1.0 H A:SER103 5.0 30.7 1.0

P.L.Davies, S.Guo. Molecular Basis For A Bacterial Adhesins Peptide-Binding Module To Be Published.