Calcium in PDB 6x5w: Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain

The structure of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain, PDB code: 6x5w 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)	55.54 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	51.163, 58.922, 63.249, 62.51, 85.81, 65.93
R / Rfree (%)	19 / 22.8

The structure of Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Calcium atom in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain (pdb code 6x5w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 18 binding sites of Calcium where determined in the Peptide-Bound Structure of Marinomonas Primoryensis Peptide-Binding Domain, PDB code: 6x5w:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 18 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:Ca6601 b:57.8 occ:0.43 O A:HOH4036 2.5 24.3 1.0 O A:SER428 2.5 23.3 1.0 HB3 A:SER428 2.5 40.8 1.0 CB A:SER428 3.4 34.0 1.0 HG23 A:THR430 3.5 28.1 1.0 C A:SER428 3.5 22.1 1.0 HA A:GLN491 3.5 17.4 1.0 HB2 A:SER428 3.6 40.8 1.0 HG1 A:THR430 4.0 22.9 1.0 CA A:SER428 4.0 29.4 1.0 O A:HOH4823 4.1 28.9 1.0 O A:HOH4309 4.2 28.5 1.0 HG21 A:THR430 4.3 28.1 1.0 CG2 A:THR430 4.3 23.4 1.0 O A:HOH4824 4.3 30.0 1.0 HA A:SER428 4.4 35.3 1.0 CA A:GLN491 4.4 14.5 1.0 OG A:SER428 4.4 36.0 1.0 O A:ASP490 4.5 15.6 1.0 C A:ASP490 4.6 13.9 1.0 O A:GLN489 4.6 15.4 1.0 O A:HOH4612 4.6 28.1 1.0 OG1 A:THR430 4.7 19.1 1.0 N A:GLN491 4.7 14.8 1.0 HA A:VAL429 4.7 18.7 1.0 N A:VAL429 4.7 19.0 1.0 HA A:ASP490 4.7 16.8 1.0 H A:THR430 4.7 17.0 1.0 HG22 A:THR430 5.0 28.1 1.0 HG2 A:GLN491 5.0 26.1 1.0 N A:THR430 5.0 14.2 1.0

Calcium binding site 2 out of 18 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:Ca6602 b:24.2 occ:1.00 OD1 A:ASP342 2.2 18.2 1.0 OXT B:ASP1011 2.3 19.4 1.0 OE2 A:GLU385 2.3 18.9 1.0 O A:SER340 2.4 20.4 1.0 O A:THR331 2.5 25.1 1.0 OD1 A:ASN333 2.5 22.1 1.0 OG1 A:THR331 2.6 24.4 1.0 HG1 A:THR331 3.1 29.3 1.0 H A:THR331 3.1 29.2 1.0 CD A:GLU385 3.2 19.6 1.0 CG A:ASP342 3.3 19.9 1.0 C A:THR331 3.4 25.1 1.0 C B:ASP1011 3.4 23.0 1.0 N A:THR331 3.5 24.3 1.0 C A:SER340 3.5 23.7 1.0 CG A:ASN333 3.6 23.4 1.0 CA A:THR331 3.7 24.3 1.0 CB A:THR331 3.7 25.0 1.0 OD2 A:ASP342 3.8 22.8 1.0 HA A:SER340 3.8 30.8 1.0 HA B:ASP1011 3.8 33.4 1.0 CA A:CA6616 3.8 23.1 1.0 HG2 A:GLU385 3.8 25.4 1.0 HB3 A:SER340 3.9 31.1 1.0 HD21 A:ASN290 3.9 21.4 1.0 HD21 A:ASN333 4.0 34.0 1.0 CG A:GLU385 4.0 21.2 1.0 OE1 A:GLU385 4.0 21.2 1.0 HG3 A:GLU330 4.0 23.2 1.0 HG3 A:GLU385 4.1 25.4 1.0 CA A:SER340 4.1 25.7 1.0 CA B:ASP1011 4.2 27.8 1.0 C A:ARG341 4.2 22.6 1.0 O A:ARG341 4.2 24.1 1.0 HA A:ASN333 4.2 34.4 1.0 ND2 A:ASN333 4.2 28.3 1.0 C A:GLU330 4.2 23.6 1.0 N A:ASP342 4.3 19.2 1.0 HA A:GLU330 4.3 26.4 1.0 HB3 B:ASP1011 4.3 41.0 1.0 HA A:ASP342 4.3 22.1 1.0 HB A:THR331 4.3 29.9 1.0 O B:ASP1011 4.3 20.1 1.0 C A:PRO332 4.5 27.5 1.0 H A:ASP342 4.5 23.0 1.0 CB A:SER340 4.5 25.9 1.0 N A:ASN333 4.5 25.6 1.0 N A:ARG341 4.5 22.3 1.0 CB A:ASP342 4.6 18.7 1.0 N A:PRO332 4.6 31.8 1.0 O A:PRO332 4.6 28.3 1.0 CA A:ASP342 4.6 18.4 1.0 HA A:THR331 4.7 29.1 1.0 HA A:ARG341 4.7 27.8 1.0 CA A:ASN333 4.7 28.7 1.0 ND2 A:ASN290 4.7 17.9 1.0 HG23 A:THR331 4.7 24.4 1.0 CA A:ARG341 4.7 23.2 1.0 CG2 A:THR331 4.8 20.3 1.0 CB A:ASN333 4.8 24.8 1.0 CA A:GLU330 4.8 22.0 1.0 CB B:ASP1011 4.8 34.1 1.0 H A:ASN333 4.8 30.7 1.0 O A:GLU330 4.9 24.1 1.0 HG21 A:THR331 4.9 24.4 1.0 CA A:PRO332 5.0 30.6 1.0 CG A:GLU330 5.0 19.3 1.0

Calcium binding site 3 out of 18 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:Ca6603 b:18.7 occ:1.00 OD1 A:ASP492 2.2 16.2 1.0 OD2 A:ASP426 2.2 14.3 1.0 OG A:SER494 2.4 16.7 1.0 O A:SER192 2.4 19.1 1.0 OD2 A:ASP490 2.5 17.2 1.0 OD2 A:ASP191 2.5 17.7 1.0 OD1 A:ASP191 2.5 14.7 1.0 CG A:ASP191 2.8 14.6 1.0 OD1 A:ASP490 3.0 16.0 1.0 CG A:ASP490 3.1 16.7 1.0 CG A:ASP492 3.2 20.7 1.0 HB2 A:SER494 3.3 24.0 1.0 CB A:SER494 3.4 20.0 1.0 CG A:ASP426 3.4 13.7 1.0 OD2 A:ASP492 3.5 16.3 1.0 H A:SER494 3.6 19.5 1.0 C A:SER192 3.6 18.3 1.0 HA A:ALA193 3.7 22.8 1.0 HB2 A:ASP426 3.8 25.2 1.0 CA A:CA6604 3.9 13.9 1.0 HG A:SER192 3.9 24.4 1.0 H A:SER192 3.9 22.9 1.0 HB3 A:SER494 4.0 24.0 1.0 O A:HOH4621 4.1 28.0 1.0 H A:ASP492 4.1 18.1 1.0 CB A:ASP426 4.2 21.0 1.0 N A:SER192 4.2 19.1 1.0 CB A:ASP191 4.3 14.9 1.0 N A:SER494 4.3 16.2 1.0 O A:HOH4281 4.3 38.4 1.0 OD1 A:ASP426 4.4 14.7 1.0 OE2 A:GLU116 4.4 18.5 1.0 CA A:SER494 4.5 17.9 1.0 CA A:ALA193 4.5 19.0 1.0 HB3 A:ASP426 4.5 25.2 1.0 N A:ALA193 4.5 17.9 1.0 HB2 A:ALA193 4.5 26.6 1.0 CA A:SER192 4.6 16.8 1.0 CB A:ASP490 4.6 16.7 1.0 HB3 A:ASP191 4.6 17.9 1.0 OG A:SER192 4.6 20.3 1.0 CB A:ASP492 4.6 12.8 1.0 HB2 A:HIS163 4.7 22.4 1.0 HB2 A:ASP490 4.7 20.1 1.0 HD3 A:PRO194 4.8 25.5 1.0 HB2 A:ASP191 4.8 17.9 1.0 N A:ASP492 4.8 15.1 1.0 C A:ASP191 4.8 18.8 1.0 HA A:ASP191 4.9 21.5 1.0 C A:ASP492 4.9 14.2 1.0 HA A:SER494 4.9 21.5 1.0 HB3 A:ASP490 4.9 20.1 1.0 CA A:ASP191 5.0 17.9 1.0

Calcium binding site 4 out of 18 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:Ca6604 b:13.9 occ:1.00 OD1 A:ASP191 2.3 14.7 1.0 O A:ARG161 2.3 16.2 1.0 OD1 A:ASP426 2.4 14.7 1.0 OD2 A:ASP492 2.5 16.3 1.0 OE2 A:GLU116 2.5 18.5 1.0 OE1 A:GLU116 2.5 16.0 1.0 OD2 A:ASP426 2.6 14.3 1.0 ND1 A:HIS163 2.7 16.7 1.0 CD A:GLU116 2.8 16.3 1.0 CG A:ASP426 2.9 13.7 1.0 H A:HIS163 3.4 18.7 1.0 HE1 A:HIS163 3.4 20.8 1.0 CE1 A:HIS163 3.4 17.4 1.0 CG A:ASP191 3.4 14.6 1.0 HA A:ASP191 3.5 21.5 1.0 H A:ARG161 3.5 21.5 1.0 C A:ARG161 3.6 17.4 1.0 CG A:ASP492 3.6 20.7 1.0 H A:SER192 3.6 22.9 1.0 HB2 A:HIS163 3.6 22.4 1.0 CG A:HIS163 3.8 16.7 1.0 CA A:CA6603 3.9 18.7 1.0 OD1 A:ASP492 3.9 16.2 1.0 HG13 A:VAL160 4.0 26.0 1.0 N A:HIS163 4.0 15.6 1.0 HG A:SER192 4.1 24.4 1.0 HA A:ASP162 4.1 24.7 1.0 CB A:HIS163 4.2 18.7 1.0 N A:ARG161 4.2 17.9 1.0 CB A:ASP191 4.2 14.9 1.0 HB2 A:ARG161 4.2 19.1 1.0 HB2 A:ASP191 4.2 17.9 1.0 CA A:ASP191 4.3 17.9 1.0 OD2 A:ASP191 4.3 17.7 1.0 CG A:GLU116 4.4 17.7 1.0 CB A:ASP426 4.4 21.0 1.0 CA A:ARG161 4.4 15.8 1.0 O A:HOH4034 4.4 23.7 1.0 N A:SER192 4.4 19.1 1.0 N A:ASP162 4.5 18.6 1.0 NE2 A:HIS163 4.6 18.0 1.0 CA A:ASP162 4.7 20.6 1.0 HB3 A:ASP426 4.7 25.2 1.0 HG2 A:GLU116 4.7 21.2 1.0 HG12 A:VAL160 4.7 26.0 1.0 CA A:HIS163 4.8 19.5 1.0 CG1 A:VAL160 4.8 21.7 1.0 HB3 A:ASP492 4.8 15.3 1.0 C A:ASP162 4.8 16.1 1.0 HG3 A:GLU116 4.8 21.2 1.0 HB2 A:ASP426 4.8 25.2 1.0 CD2 A:HIS163 4.8 17.2 1.0 CB A:ASP492 4.8 12.8 1.0 CB A:ARG161 4.9 15.9 1.0 O A:SER192 4.9 19.1 1.0 OG A:SER192 4.9 20.3 1.0 HA A:ASP426 4.9 27.2 1.0 C A:ASP191 4.9 18.8 1.0 HB3 A:GLU116 4.9 23.9 1.0

Calcium binding site 5 out of 18 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:Ca6605 b:20.9 occ:1.00 O A:VAL167 2.3 21.7 1.0 OD1 A:ASP165 2.3 16.0 1.0 O A:ASP162 2.4 18.5 1.0 O A:HOH4237 2.4 15.8 1.0 OD1 A:ASP169 2.5 15.0 1.0 O A:HOH4162 2.5 20.1 1.0 OD2 A:ASP169 2.6 17.1 1.0 CG A:ASP169 2.9 17.6 1.0 CG A:ASP165 3.3 20.1 1.0 HA A:HIS163 3.4 23.4 1.0 H A:VAL167 3.5 25.9 1.0 HB A:VAL167 3.5 29.0 1.0 C A:VAL167 3.5 21.1 1.0 C A:ASP162 3.5 16.1 1.0 OD2 A:ASP165 3.7 21.4 1.0 H A:ASP165 3.7 23.4 1.0 HH21 A:ARG161 4.0 18.3 1.0 N A:VAL167 4.1 21.6 1.0 HB3 A:ASP162 4.1 25.5 1.0 CA A:VAL167 4.1 20.6 1.0 CA A:HIS163 4.2 19.5 1.0 HB3 A:ARG161 4.2 19.1 1.0 CB A:VAL167 4.2 24.2 1.0 HE A:ARG161 4.3 18.4 1.0 N A:HIS163 4.3 15.6 1.0 O A:HOH4153 4.3 27.6 1.0 CB A:ASP169 4.3 18.3 1.0 N A:ASP165 4.4 19.5 1.0 C A:SER168 4.4 21.7 1.0 H A:ASP162 4.4 22.4 1.0 O A:ASP165 4.4 19.8 1.0 O A:SER168 4.5 20.9 1.0 N A:ASP169 4.5 21.1 1.0 HG12 A:VAL167 4.5 32.8 1.0 CA A:ASP162 4.5 20.6 1.0 C A:ASP165 4.5 22.4 1.0 CB A:ASP165 4.5 20.6 1.0 N A:SER168 4.6 22.1 1.0 C A:HIS163 4.6 18.3 1.0 N A:ASP162 4.6 18.6 1.0 NH2 A:ARG161 4.7 15.3 1.0 CA A:ASP165 4.7 19.1 1.0 HA A:SER168 4.7 28.0 1.0 HB2 A:ASP169 4.7 21.9 1.0 HA A:ASP169 4.7 22.6 1.0 H A:GLY164 4.8 22.1 1.0 CB A:ASP162 4.8 21.3 1.0 H A:ASP169 4.8 25.3 1.0 N A:GLY164 4.8 18.4 1.0 CA A:ASP169 4.8 18.9 1.0 CA A:SER168 4.8 23.4 1.0 O A:HOH4155 4.9 19.1 1.0 HB3 A:ASP169 4.9 21.9 1.0 NE A:ARG161 4.9 15.3 1.0 HB3 A:ASP165 4.9 24.7 1.0 CG1 A:VAL167 5.0 27.3 1.0

Calcium binding site 6 out of 18 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:Ca6606 b:23.1 occ:1.00 O A:ILE215 2.3 21.4 1.0 OD1 A:ASN242 2.3 25.2 1.0 OD2 A:ASP268 2.3 26.2 1.0 OD2 A:ASP266 2.4 21.4 1.0 OD2 A:ASP243 2.4 23.2 1.0 O A:HOH4605 2.4 23.4 1.0 CG A:ASP266 3.3 22.3 1.0 HD21 A:ASN242 3.3 30.6 1.0 CG A:ASN242 3.4 27.2 1.0 HB3 A:GLU214 3.4 28.9 1.0 CG A:ASP268 3.4 23.7 1.0 HB3 A:ASP243 3.5 29.5 1.0 CG A:ASP243 3.5 22.5 1.0 C A:ILE215 3.5 20.8 1.0 ND2 A:ASN242 3.7 25.5 1.0 H A:ILE215 3.8 29.0 1.0 OD1 A:ASP266 3.8 22.3 1.0 HA A:ALA216 3.9 23.7 1.0 O A:HOH4234 3.9 20.5 1.0 OD1 A:ASP268 4.0 25.1 1.0 CB A:ASP243 4.0 24.6 1.0 N A:ILE215 4.1 24.1 1.0 H A:ASN242 4.1 34.6 1.0 O A:HOH4787 4.1 24.0 1.0 HB3 A:ASP266 4.2 25.9 1.0 CB A:ASP266 4.3 21.6 1.0 CB A:GLU214 4.3 24.1 1.0 HB A:ILE215 4.3 24.4 1.0 CA A:ILE215 4.4 22.8 1.0 OE1 A:GLU214 4.4 43.0 1.0 HB2 A:ASP268 4.5 32.0 1.0 N A:ALA216 4.5 19.8 1.0 HB2 A:ASP266 4.5 25.9 1.0 OD1 A:ASP243 4.6 23.8 1.0 CB A:ASP268 4.6 26.7 1.0 HD22 A:ASN242 4.6 30.6 1.0 O A:HOH4287 4.6 33.7 1.0 HB2 A:GLU214 4.6 28.9 1.0 HB2 A:ASP241 4.6 30.2 1.0 N A:ASP243 4.6 27.5 1.0 CA A:ALA216 4.6 19.8 1.0 HB2 A:ASP243 4.7 29.5 1.0 C A:ASN242 4.7 32.6 1.0 CB A:ASN242 4.7 26.4 1.0 H A:ASP243 4.7 33.0 1.0 N A:ASN242 4.8 28.9 1.0 C A:GLU214 4.8 22.5 1.0 CB A:ILE215 4.9 20.3 1.0 HG22 A:ILE215 4.9 25.6 1.0 HB3 A:ASP268 4.9 32.0 1.0 CA A:ASN242 5.0 27.6 1.0 CA A:ASP243 5.0 30.5 1.0 HB2 A:ALA216 5.0 31.2 1.0

Calcium binding site 7 out of 18 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:Ca6607 b:14.4 occ:1.00 O A:VAL197 2.3 17.1 1.0 O A:ILE412 2.3 14.0 1.0 OD1 A:ASP421 2.4 14.6 1.0 OD2 A:ASP199 2.4 14.6 1.0 O A:HOH4003 2.5 19.2 1.0 OD1 A:ASP199 2.5 15.5 1.0 OH A:TYR486 2.5 13.5 1.0 CG A:ASP199 2.8 14.3 1.0 HB A:ILE412 3.3 20.8 1.0 CG A:ASP421 3.3 15.3 1.0 H A:VAL197 3.3 16.9 1.0 C A:VAL197 3.5 16.0 1.0 C A:ILE412 3.5 13.6 1.0 CZ A:TYR486 3.6 14.2 1.0 OD2 A:ASP421 3.7 16.0 1.0 HB A:VAL197 3.7 21.5 1.0 HE2 A:TYR486 3.8 18.4 1.0 HA A:ILE412 4.0 16.2 1.0 N A:VAL197 4.0 14.1 1.0 HD22 A:ASN416 4.0 22.0 1.0 H A:ASP421 4.1 20.7 1.0 CB A:ILE412 4.1 17.4 1.0 CA A:ILE412 4.1 13.5 1.0 CE2 A:TYR486 4.1 15.3 1.0 HD13 A:ILE412 4.2 20.8 1.0 CA A:VAL197 4.2 15.1 1.0 CB A:ASP199 4.2 14.9 1.0 HA A:PHE413 4.3 20.9 1.0 C A:ASP198 4.3 18.3 1.0 O A:ASP198 4.3 18.1 1.0 O A:ASP414 4.4 20.0 1.0 CB A:VAL197 4.4 17.9 1.0 HB3 A:ALA498 4.5 21.7 1.0 N A:ASP198 4.6 17.8 1.0 N A:PHE413 4.6 14.8 1.0 HA A:ASP198 4.6 20.0 1.0 HB2 A:ASP199 4.6 17.9 1.0 CB A:ASP421 4.6 14.4 1.0 N A:ASP421 4.6 17.3 1.0 N A:ASP199 4.6 17.1 1.0 HG22 A:ILE412 4.7 21.5 1.0 HA A:ASP199 4.7 23.0 1.0 HB3 A:ASP199 4.7 17.9 1.0 CE1 A:TYR486 4.8 16.3 1.0 CA A:ASP198 4.8 16.6 1.0 CA A:ASP199 4.8 19.2 1.0 CA A:PHE413 4.8 17.4 1.0 O A:GLY419 4.8 19.9 1.0 O A:HOH4004 4.8 22.6 1.0 ND2 A:ASN416 4.9 18.4 1.0 HB2 A:ASP421 4.9 17.3 1.0 HG12 A:VAL197 4.9 23.1 1.0 HE1 A:TYR486 4.9 19.6 1.0 HB1 A:ALA196 4.9 16.0 1.0 HA A:ALA420 4.9 24.8 1.0 HA A:ALA196 4.9 16.8 1.0 HB1 A:ALA498 4.9 21.7 1.0 HB2 A:ASN416 4.9 21.9 1.0 CG2 A:ILE412 4.9 17.9 1.0 HA A:ASP421 4.9 18.9 1.0 CD1 A:ILE412 5.0 17.3 1.0

Calcium binding site 8 out of 18 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:Ca6609 b:21.2 occ:1.00 O A:THR18 2.2 16.4 1.0 O A:HOH4116 2.3 21.7 1.0 O A:HOH4649 2.3 28.8 1.0 OD1 A:ASP16 2.4 22.8 1.0 OE2 A:GLU23 2.4 22.6 1.0 OE1 A:GLU23 2.5 19.8 1.0 OG1 A:THR14 2.6 29.7 1.0 CD A:GLU23 2.8 20.8 1.0 HB A:THR14 3.0 30.3 1.0 CG A:ASP16 3.2 27.7 1.0 CB A:THR14 3.3 25.3 1.0 C A:THR18 3.4 16.6 1.0 H A:THR18 3.5 25.3 1.0 OD2 A:ASP16 3.5 26.6 1.0 HG21 A:THR14 3.6 29.4 1.0 H A:ASP16 3.8 28.0 1.0 HA A:ILE19 3.8 22.2 1.0 HB A:THR18 3.8 40.3 1.0 CG2 A:THR14 4.0 24.5 1.0 H A:ASP20 4.0 21.3 1.0 N A:THR18 4.2 21.1 1.0 CA A:THR18 4.2 22.6 1.0 OD2 A:ASP20 4.3 25.6 1.0 CG A:GLU23 4.3 20.7 1.0 N A:ILE19 4.4 19.2 1.0 O A:HOH4249 4.4 28.2 1.0 O A:HOH4681 4.5 67.8 1.0 CA A:ILE19 4.5 18.5 1.0 CB A:THR18 4.5 33.6 1.0 HG23 A:THR14 4.5 29.4 1.0 HB3 A:ASP20 4.5 20.5 1.0 N A:ASP16 4.6 23.4 1.0 O A:ILE13 4.6 23.8 1.0 N A:ASP20 4.6 17.8 1.0 HG A:SER15 4.6 37.1 1.0 CB A:ASP16 4.6 29.7 1.0 H A:SER15 4.6 33.8 1.0 HD13 A:ILE19 4.6 25.5 1.0 CA A:THR14 4.6 28.3 1.0 HG3 A:GLU23 4.6 24.9 1.0 CG A:ASP20 4.7 22.1 1.0 HG2 A:GLU23 4.7 24.9 1.0 HG22 A:THR14 4.7 29.4 1.0 C A:THR14 4.8 25.4 1.0 N A:SER15 4.8 28.1 1.0 HB3 A:ASP16 4.9 35.6 1.0 HB2 A:GLU23 4.9 23.7 1.0 C A:ILE19 4.9 16.5 1.0 HG22 A:THR18 4.9 41.5 1.0 H A:ASP17 4.9 30.4 1.0 CA A:ASP16 5.0 26.9 1.0

Calcium binding site 9 out of 18 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:Ca6610 b:25.8 occ:1.00 O A:ASP243 2.3 25.8 1.0 O A:HOH4132 2.4 23.9 1.0 OD1 A:ASP241 2.4 23.1 1.0 O A:HOH4788 2.4 29.6 1.0 O A:HOH4148 2.4 27.1 1.0 OD2 A:ASP232 2.5 23.6 1.0 O A:ASP241 2.5 26.0 1.0 OD1 A:ASP232 2.7 22.1 1.0 CG A:ASP232 3.0 24.1 1.0 H A:ASP241 3.0 33.6 1.0 H A:ASP243 3.0 33.0 1.0 C A:ASP241 3.4 30.1 1.0 C A:ASP243 3.4 24.9 1.0 CG A:ASP241 3.6 21.6 1.0 N A:ASP243 3.6 27.5 1.0 N A:ASP241 3.8 28.0 1.0 HA A:SER244 3.9 32.0 0.6 HA A:SER244 4.0 31.8 0.4 CA A:CA6613 4.0 19.7 1.0 CA A:ASP241 4.1 26.9 1.0 CA A:ASP243 4.2 30.5 1.0 N A:ASN242 4.2 28.9 1.0 CB A:ASP241 4.4 25.2 1.0 N A:SER244 4.5 28.9 0.6 N A:SER244 4.5 28.4 0.4 OD2 A:ASP241 4.5 20.5 1.0 CB A:ASP232 4.5 23.2 1.0 C A:ASN242 4.5 32.6 1.0 HA A:ASN242 4.6 33.2 1.0 O A:HOH4158 4.6 17.5 1.0 O A:GLY233 4.6 22.8 1.0 HA A:VAL240 4.6 29.4 1.0 OD1 A:ASP243 4.6 23.8 1.0 H A:GLY233 4.6 23.4 1.0 O A:HOH4066 4.7 27.5 1.0 CA A:SER244 4.7 26.7 0.6 HB A:VAL240 4.7 37.5 1.0 CA A:SER244 4.7 26.5 0.4 O A:HOH4184 4.7 32.3 1.0 CA A:ASN242 4.7 27.6 1.0 HA A:ASP243 4.7 36.6 1.0 HB3 A:ASP232 4.8 27.8 1.0 H A:ASN242 4.9 34.6 1.0 HB2 A:ASP232 4.9 27.8 1.0 HA A:ASP241 5.0 32.2 1.0 C A:VAL240 5.0 25.8 1.0

Calcium binding site 10 out of 18 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:Ca6611 b:33.1 occ:1.00 O A:THR101 2.1 28.5 1.0 O A:HOH4225 2.4 36.7 1.0 OD2 A:ASP17 2.4 31.7 1.0 O A:HOH4182 2.4 25.9 1.0 OD1 A:ASP17 2.5 26.3 1.0 O A:HOH4763 2.5 26.2 0.6 O A:HOH4152 2.5 32.6 1.0 CG A:ASP17 2.8 30.6 1.0 C A:THR101 3.3 26.9 1.0 H A:THR101 3.4 32.6 1.0 HA A:HIS102 3.7 26.3 1.0 HG1 A:THR101 3.7 36.9 1.0 HG A:SER100 3.7 33.7 1.0 HA A:ALA12 3.7 29.3 1.0 HB3 A:HIS102 3.8 23.9 1.0 O A:HOH4827 3.9 27.5 0.5 HG12 A:ILE13 3.9 22.9 1.0 N A:THR101 4.0 27.1 1.0 H A:ILE13 4.1 27.1 1.0 OG1 A:THR101 4.2 30.7 1.0 N A:HIS102 4.2 22.8 1.0 CB A:ASP17 4.3 30.2 1.0 CA A:HIS102 4.3 21.9 1.0 CA A:THR101 4.3 28.8 1.0 OG A:SER100 4.4 28.1 1.0 O A:HOH4763 4.4 29.4 0.4 CB A:HIS102 4.5 19.9 1.0 HB2 A:ASP17 4.5 36.3 1.0 O A:HOH4254 4.6 38.2 1.0 CA A:ALA12 4.7 24.4 1.0 HB3 A:ASP17 4.7 36.3 1.0 HA A:SER100 4.7 32.2 1.0 N A:ILE13 4.8 22.6 1.0 CG1 A:ILE13 4.9 19.0 1.0 HB2 A:HIS102 4.9 23.9 1.0 CB A:THR101 4.9 30.2 1.0 O A:ASN11 4.9 27.4 1.0 HA A:ASP17 4.9 31.8 1.0

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