Calcium in PDB 4m01: N Terminal Fragment(Residues 245-575) of Binding Region of Srap

The structure of N Terminal Fragment(Residues 245-575) of Binding Region of Srap, PDB code: 4m01 was solved by Y.H.Yang, Y.L.Jiang, J.Zhang, L.Wang, Y.Chen, C.Z.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.91 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.704, 179.644, 71.510, 90.00, 89.77, 90.00
R / Rfree (%)	15.8 / 19.5

The binding sites of Calcium atom in the N Terminal Fragment(Residues 245-575) of Binding Region of Srap (pdb code 4m01). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the N Terminal Fragment(Residues 245-575) of Binding Region of Srap, PDB code: 4m01:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the N Terminal Fragment(Residues 245-575) of Binding Region of Srap


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of N Terminal Fragment(Residues 245-575) of Binding Region of Srap within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:14.5 occ:1.00 O A:TYR367 2.3 12.3 1.0 O A:HOH720 2.3 11.1 1.0 OD1 A:ASN369 2.4 12.9 1.0 O A:HOH1058 2.4 12.9 1.0 OD2 A:ASP382 2.4 14.6 1.0 OD2 A:ASP365 2.5 15.1 1.0 OD1 A:ASP365 2.6 15.6 1.0 CG A:ASP365 2.9 15.8 1.0 CG A:ASP382 3.4 17.1 1.0 C A:TYR367 3.5 17.0 1.0 CG A:ASN369 3.6 18.9 1.0 OD1 A:ASP382 3.6 15.9 1.0 N A:ASN369 3.9 16.9 1.0 CB A:ASN369 4.2 18.7 1.0 CA A:HIS368 4.3 18.3 1.0 CG2 A:VAL351 4.3 17.6 1.0 CA A:TYR367 4.4 16.1 1.0 N A:HIS368 4.4 17.8 1.0 CB A:ASP365 4.4 13.2 1.0 NZ A:LYS363 4.4 15.1 1.0 CB A:TYR367 4.5 15.8 1.0 C A:HIS368 4.5 20.3 1.0 N A:TYR367 4.5 14.5 1.0 O A:HOH743 4.5 19.4 1.0 O A:ASP330 4.6 17.7 1.0 CA A:ALA349 4.6 17.9 1.0 ND2 A:ASN369 4.7 16.0 1.0 CD1 A:TYR367 4.7 18.5 1.0 CA A:ASN369 4.7 20.9 1.0 CB A:ASP382 4.8 15.7 1.0 O A:ALA349 4.9 17.1 1.0

Calcium binding site 2 out of 4 in the N Terminal Fragment(Residues 245-575) of Binding Region of Srap


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of N Terminal Fragment(Residues 245-575) of Binding Region of Srap within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:15.4 occ:1.00 O B:TYR367 2.3 15.3 1.0 O B:HOH713 2.4 15.1 1.0 O B:HOH952 2.4 13.3 1.0 OD1 B:ASN369 2.4 16.4 1.0 OD2 B:ASP382 2.5 13.5 1.0 OD2 B:ASP365 2.6 17.4 1.0 OD1 B:ASP365 2.6 15.7 1.0 CG B:ASP365 2.9 15.8 1.0 CG B:ASP382 3.4 18.8 1.0 C B:TYR367 3.5 18.2 1.0 CG B:ASN369 3.6 19.8 1.0 OD1 B:ASP382 3.7 16.0 1.0 N B:ASN369 3.9 18.1 1.0 CB B:ASN369 4.2 18.5 1.0 CG2 B:VAL351 4.3 19.1 1.0 CA B:HIS368 4.3 19.5 1.0 CA B:TYR367 4.4 17.7 1.0 CB B:ASP365 4.4 14.1 1.0 N B:TYR367 4.4 16.7 1.0 N B:HIS368 4.4 19.1 1.0 CB B:TYR367 4.5 16.1 1.0 C B:HIS368 4.5 20.4 1.0 O B:HOH756 4.5 18.6 1.0 O B:ASP330 4.6 17.0 1.0 NZ B:LYS363 4.6 16.3 1.0 ND2 B:ASN369 4.7 19.2 1.0 CA B:ALA349 4.7 16.3 1.0 CD1 B:TYR367 4.7 17.5 1.0 CA B:ASN369 4.7 21.4 1.0 CB B:ASP382 4.8 15.9 1.0 O B:ALA349 4.9 17.1 1.0 CE1 B:PHE392 4.9 17.7 1.0

Calcium binding site 3 out of 4 in the N Terminal Fragment(Residues 245-575) of Binding Region of Srap


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of N Terminal Fragment(Residues 245-575) of Binding Region of Srap within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca601 b:18.6 occ:1.00 O C:TYR367 2.3 15.7 1.0 OD2 C:ASP382 2.4 15.3 1.0 O C:HOH703 2.4 12.1 1.0 O C:HOH935 2.5 16.8 1.0 OD2 C:ASP365 2.5 15.0 1.0 OD1 C:ASP365 2.5 18.5 1.0 OD1 C:ASN369 2.6 22.0 1.0 CG C:ASP365 2.9 17.6 1.0 CG C:ASP382 3.3 17.7 1.0 C C:TYR367 3.5 17.6 1.0 OD1 C:ASP382 3.5 15.7 1.0 CG C:ASN369 3.7 18.7 1.0 N C:ASN369 3.8 18.0 1.0 CB C:ASN369 4.2 17.3 1.0 CG2 C:VAL351 4.4 15.8 1.0 NZ C:LYS363 4.4 14.4 1.0 CA C:HIS368 4.4 15.4 1.0 CA C:TYR367 4.4 18.5 1.0 CB C:ASP365 4.4 15.8 1.0 N C:HIS368 4.4 16.9 1.0 CB C:TYR367 4.4 18.1 1.0 C C:HIS368 4.5 20.1 1.0 N C:TYR367 4.5 16.4 1.0 CD1 C:TYR367 4.6 17.6 1.0 O C:ASP330 4.6 20.3 1.0 CA C:ASN369 4.7 17.4 1.0 O C:HOH786 4.7 20.7 1.0 CB C:ASP382 4.7 17.3 1.0 CA C:ALA349 4.7 20.2 1.0 ND2 C:ASN369 4.8 22.6 1.0 O C:ALA349 4.9 20.9 1.0 CZ C:PHE392 5.0 16.3 1.0 CE1 C:PHE392 5.0 15.8 1.0

Calcium binding site 4 out of 4 in the N Terminal Fragment(Residues 245-575) of Binding Region of Srap


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of N Terminal Fragment(Residues 245-575) of Binding Region of Srap within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca601 b:18.2 occ:1.00 O D:TYR367 2.4 15.2 1.0 OD2 D:ASP382 2.4 15.0 1.0 O D:HOH955 2.5 15.3 1.0 O D:HOH708 2.5 15.1 1.0 OD2 D:ASP365 2.5 16.9 1.0 OD1 D:ASP365 2.5 17.6 1.0 OD1 D:ASN369 2.6 21.8 1.0 CG D:ASP365 2.8 17.3 1.0 CG D:ASP382 3.4 16.4 1.0 C D:TYR367 3.6 18.1 1.0 OD1 D:ASP382 3.6 16.7 1.0 CG D:ASN369 3.7 18.4 1.0 N D:ASN369 3.8 16.3 1.0 CB D:ASN369 4.2 17.1 1.0 CB D:ASP365 4.3 15.4 1.0 CA D:HIS368 4.4 16.1 1.0 CA D:TYR367 4.4 17.5 1.0 CG2 D:VAL351 4.4 18.1 1.0 CB D:TYR367 4.5 17.9 1.0 N D:TYR367 4.5 16.7 1.0 N D:HIS368 4.5 17.0 1.0 C D:HIS368 4.5 19.1 1.0 NZ D:LYS363 4.6 16.9 1.0 CD1 D:TYR367 4.6 18.4 1.0 O D:HOH776 4.6 19.2 1.0 O D:ASP330 4.6 19.9 1.0 CA D:ASN369 4.7 17.1 1.0 CA D:ALA349 4.7 18.2 1.0 CB D:ASP382 4.8 17.1 1.0 ND2 D:ASN369 4.8 21.7 1.0 O D:ALA349 4.9 18.8 1.0 CZ D:PHE392 4.9 14.0 1.0 CE1 D:PHE392 5.0 15.7 1.0

Y.H.Yang, Y.L.Jiang, J.Zhang, L.Wang, X.H.Bai, S.J.Zhang, Y.M.Ren, N.Li, Y.H.Zhang, Z.Zhang, Q.Gong, Y.Mei, T.Xue, J.R.Zhang, Y.Chen, C.Z.Zhou. Structural Insights Into Srap-Mediated Staphylococcus Aureus Adhesion to Host Cells Plos Pathog. V. 10 04169 2014.
ISSN: ISSN 1553-7366
PubMed: 24901708
DOI: 10.1371/JOURNAL.PPAT.1004169