Calcium in PDB 2p6s: Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis

The structure of Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis, PDB code: 2p6s was solved by J.Ren, S.Sainsbury, R.J.Owens, Oxford Protein Production Facility (Oppf), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.831, 149.676, 77.671, 90.00, 106.01, 90.00
R / Rfree (%)	22.8 / 30.6

The binding sites of Calcium atom in the Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis (pdb code 2p6s). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis, PDB code: 2p6s:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in the Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis


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 Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca961 b:81.8 occ:1.00 O H:GLU105 2.4 81.1 1.0 NE2 B:GLN138 3.3 92.3 1.0 O H:HOH1166 3.3 31.8 1.0 OD2 B:ASP136 3.4 92.2 1.0 C H:GLU105 3.4 84.1 1.0 CA H:GLU105 3.9 88.0 1.0 OD1 B:ASP136 4.0 89.0 1.0 CG B:ASP136 4.0 84.1 1.0 CD B:GLN138 4.2 87.5 1.0 CG B:GLN138 4.3 79.0 1.0 N H:THR106 4.6 84.9 1.0 CB H:GLU105 4.6 89.9 1.0 O H:GLY104 4.8 83.2 1.0

Calcium binding site 2 out of 9 in the Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis


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 Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca978 b:92.4 occ:1.00 OD1 B:ASN118 2.8 56.2 1.0 CG B:ASN118 3.5 60.1 1.0 O G:GLY67 3.9 63.3 1.0 ND2 B:ASN118 4.0 60.1 1.0 CA B:ASN118 4.6 56.1 1.0 CB B:ASN118 4.6 56.0 1.0 N B:ASN118 4.8 57.9 1.0 O B:HOH1183 4.9 37.7 1.0

Calcium binding site 3 out of 9 in the Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca999 b:61.9 occ:1.00 O B:HOH1175 2.2 9.6 1.0 OD1 G:ASN118 2.5 74.5 1.0 O B:HOH1165 3.0 21.1 1.0 OE1 B:GLU62 3.0 85.9 1.0 O B:GLY67 3.2 74.3 1.0 O G:HOH1166 3.2 25.5 1.0 CG G:ASN118 3.6 74.4 1.0 CD B:GLU62 4.0 83.9 1.0 ND2 G:ASN118 4.0 80.0 1.0 C B:GLY67 4.2 65.8 1.0 CG B:GLU62 4.2 83.4 1.0 CA B:GLY67 4.6 68.3 1.0 CB G:ASN118 4.8 68.0 1.0

Calcium binding site 4 out of 9 in the Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca161 b:94.3 occ:1.00 OD1 F:ASN118 2.7 74.9 1.0 O C:HOH1169 3.1 22.9 1.0 O C:GLY67 3.4 77.5 1.0 CG F:ASN118 3.5 72.8 1.0 ND2 F:ASN118 3.8 81.3 1.0 C C:GLY67 4.2 71.3 1.0 CA C:GLY67 4.5 71.5 1.0 CB F:ASN118 4.8 68.7 1.0 N F:ASN118 4.8 65.0 1.0 CA F:ASN118 4.8 66.2 1.0 O C:VAL142 4.9 51.2 1.0

Calcium binding site 5 out of 9 in the Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1020 b:84.0 occ:1.00 OD1 D:ASN118 2.6 82.5 1.0 O A:GLY67 3.5 75.4 1.0 O A:HOH1165 3.6 29.0 1.0 CG D:ASN118 3.6 77.9 1.0 O A:HOH1191 3.7 19.6 1.0 ND2 D:ASN118 3.9 82.9 1.0 O A:HOH1188 4.0 39.9 1.0 C A:GLY67 4.2 67.0 1.0 CA A:GLY67 4.4 66.6 1.0 CG A:GLU62 4.6 81.5 1.0 OE1 A:GLU62 4.6 96.0 1.0 CB D:ASN118 5.0 71.5 1.0

Calcium binding site 6 out of 9 in the Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca216 b:57.9 occ:1.00 O H:HOH1170 2.2 21.5 1.0 O E:HOH1183 2.3 24.3 1.0 O H:HOH1171 2.5 31.9 1.0 O E:HOH1185 2.6 28.4 1.0 O E:HOH1184 2.6 23.2 1.0 O E:HOH1168 3.1 7.8 1.0 O E:GLY67 3.6 70.2 1.0 ND2 H:ASN118 4.1 81.0 1.0 C E:GLY67 4.8 65.2 1.0 O E:VAL142 4.9 65.5 1.0 O H:HOH1163 5.0 30.8 1.0

Calcium binding site 7 out of 9 in the Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca227 b:63.4 occ:1.00 O H:HOH1174 2.3 55.7 1.0 O H:HOH1175 2.3 49.3 1.0 OD1 E:ASN118 3.1 73.2 1.0 CB E:ASN118 3.7 68.3 1.0 CG E:ASN118 3.7 78.7 1.0 CA E:ASN118 4.0 71.4 1.0 O H:GLY67 4.3 81.3 1.0 N E:ASN118 4.4 70.0 1.0 ND2 E:ASN118 4.9 89.4 1.0 O H:LEU143 5.0 63.6 1.0

Calcium binding site 8 out of 9 in the Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca932 b:73.2 occ:1.00 O D:GLU105 2.3 78.0 1.0 O F:HOH1169 2.3 45.2 1.0 OD1 F:ASP136 3.0 94.7 1.0 OD2 F:ASP136 3.1 92.2 1.0 C D:GLU105 3.4 79.0 1.0 CG F:ASP136 3.4 82.7 1.0 CA D:GLU105 4.1 78.0 1.0 OD1 D:ASP107 4.2 81.2 1.0 N D:THR106 4.5 82.9 1.0 OE1 D:GLU105 4.5 91.5 1.0 O D:GLY104 4.7 71.0 1.0 CA D:THR106 4.8 86.2 1.0 CG F:GLN138 4.8 74.1 1.0 CB D:GLU105 4.9 82.4 1.0 CB F:ASP136 4.9 73.9 1.0 NE2 F:GLN138 5.0 85.7 1.0

Calcium binding site 9 out of 9 in the Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of Transcriptional Regulator NMB0573/L-Met Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca1050 b:75.1 occ:1.00 O F:GLU105 2.7 94.2 1.0 O F:HOH1180 3.0 40.7 1.0 OD2 H:ASP136 3.0 96.3 1.0 C F:GLU105 3.6 89.3 1.0 CG H:ASP136 3.7 85.2 1.0 OD1 H:ASP136 3.7 90.4 1.0 O F:HOH1193 3.9 23.1 1.0 CA F:GLU105 4.0 89.8 1.0 O F:HOH1174 4.0 23.9 1.0 OE1 H:GLN138 4.5 77.9 1.0 CB F:GLU105 4.5 92.5 1.0 N F:THR106 4.8 90.3 1.0 CB H:ASP136 5.0 74.3 1.0

J.Ren, S.Sainsbury, S.E.Combs, R.G.Capper, P.W.Jordan, N.S.Berrow, D.K.Stammers, N.J.Saunders, R.J.Owens. The Structure and Transcriptional Analysis of A Global Regulator From Neisseria Meningitidis. J.Biol.Chem. V. 282 14655 2007.
ISSN: ISSN 0021-9258
PubMed: 17374605
DOI: 10.1074/JBC.M701082200