Calcium in PDB 2p6t: Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine Complex From Neisseria Meningitidis

The structure of Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine Complex From Neisseria Meningitidis, PDB code: 2p6t 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 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.389, 149.771, 77.845, 90.00, 105.68, 90.00
R / Rfree (%)	23.5 / 30

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

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine Complex From Neisseria Meningitidis (pdb code 2p6t). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 11 binding sites of Calcium where determined in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine Complex From Neisseria Meningitidis, PDB code: 2p6t:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 11 in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine 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 and L-Leucine Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca161 b:76.9 occ:1.00 OD1 B:ASN118 2.8 75.2 1.0 O G:GLY67 3.0 54.2 1.0 CG B:ASN118 3.6 67.8 1.0 ND2 B:ASN118 3.9 78.7 1.0 C G:GLY67 4.0 55.5 1.0 CA G:GLY67 4.3 57.8 1.0 N B:ASN118 4.8 44.1 1.0 CB B:ASN118 4.8 52.7 1.0 CA B:ASN118 4.9 48.3 1.0

Calcium binding site 2 out of 11 in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine 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 and L-Leucine Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca162 b:82.8 occ:1.00 OD1 B:ASP107 2.3 68.0 1.0 OD1 D:ASP136 3.1 89.2 1.0 N B:LEU1160 3.2 57.7 1.0 O D:HOH1170 3.3 36.1 1.0 CG B:ASP107 3.4 65.0 1.0 O B:GLY104 3.5 62.0 1.0 O D:ALA137 3.6 45.0 1.0 N B:ASP107 3.7 61.5 1.0 O B:GLU105 3.7 71.0 1.0 OD2 D:ASP136 3.8 83.9 1.0 CG D:ASP136 3.8 79.0 1.0 C B:THR106 3.9 64.7 1.0 CD2 B:LEU1160 3.9 53.4 1.0 CA B:ASP107 3.9 60.3 1.0 C B:GLU105 3.9 70.6 1.0 CA B:LEU1160 4.1 60.1 1.0 O B:THR106 4.1 59.3 1.0 OD2 B:ASP107 4.2 49.6 1.0 CB B:ASP107 4.2 63.6 1.0 CG B:LEU1160 4.3 59.0 1.0 N B:THR106 4.4 70.1 1.0 CA B:GLU105 4.5 72.6 1.0 CA B:THR106 4.5 68.7 1.0 C B:GLY104 4.7 66.3 1.0 CB B:LEU1160 4.8 60.5 1.0 C D:ALA137 4.8 38.0 1.0

Calcium binding site 3 out of 11 in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine 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 and L-Leucine Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca161 b:80.3 occ:1.00 O C:GLY67 2.3 56.8 1.0 O F:HOH1163 2.7 35.8 1.0 O C:HOH1161 2.8 37.4 1.0 O C:HOH1162 3.3 23.7 1.0 C C:GLY67 3.4 50.5 1.0 OD1 F:ASN118 3.6 58.0 1.0 CA C:GLY67 4.0 52.8 1.0 N C:LEU68 4.5 41.4 1.0 O C:VAL142 4.5 31.7 1.0 CG F:ASN118 4.6 51.6 1.0 CB F:MSE117 4.7 47.2 1.0 CA C:LEU68 4.8 41.3 1.0 CG F:MSE117 4.9 46.8 1.0

Calcium binding site 4 out of 11 in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine 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 and L-Leucine Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca162 b:79.6 occ:1.00 O E:GLU105 2.9 75.6 1.0 OD2 C:ASP136 3.2 76.3 1.0 OD1 C:ASP136 3.4 68.6 1.0 CG C:ASP136 3.5 67.0 1.0 CA E:GLU105 3.7 73.7 1.0 C E:GLU105 3.7 70.6 1.0 CB E:GLU105 3.9 75.9 1.0 OD1 E:ASP107 4.3 66.0 1.0 CB C:ASP136 4.7 60.8 1.0 O E:GLY104 4.9 72.5 1.0 N E:THR106 5.0 67.4 1.0 N E:GLU105 5.0 70.8 1.0

Calcium binding site 5 out of 11 in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine 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 and L-Leucine Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca161 b:53.7 occ:1.00 OD1 D:ASN118 2.1 51.9 1.0 CG D:ASN118 3.0 44.5 1.0 ND2 D:ASN118 3.3 36.5 1.0 O A:GLY67 3.5 34.3 1.0 O A:HOH1161 3.9 41.6 1.0 C A:GLY67 4.2 37.6 1.0 CB D:ASN118 4.4 38.1 1.0 CA A:GLY67 4.5 39.1 1.0 OE1 A:GLU62 4.7 87.7 1.0 CA D:ASN118 4.8 40.2 1.0 N D:ASN118 4.8 43.3 1.0 CG A:GLU62 5.0 64.8 1.0

Calcium binding site 6 out of 11 in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine 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 and L-Leucine Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca161 b:65.6 occ:1.00 O E:HOH1162 2.3 10.0 1.0 O E:HOH1164 2.5 47.4 1.0 O E:GLY67 3.3 43.2 1.0 O E:HOH1161 4.0 11.9 1.0 OD1 H:ASN118 4.2 71.2 1.0 C E:GLY67 4.2 41.0 1.0 O E:HOH1163 4.3 19.5 1.0 CB H:ASN118 4.3 55.4 1.0 CA E:GLY67 4.4 44.7 1.0 CA H:ASN118 4.6 51.3 1.0 N H:ASN118 4.6 48.5 1.0 CG H:ASN118 4.7 61.2 1.0

Calcium binding site 7 out of 11 in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine 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 and L-Leucine Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca162 b:73.7 occ:1.00 O G:GLU105 2.5 65.7 1.0 OD1 E:ASP136 3.0 79.4 1.0 OD1 G:ASP107 3.2 68.3 1.0 OD2 E:ASP136 3.3 74.6 1.0 CG E:ASP136 3.5 72.6 1.0 C G:GLU105 3.5 64.7 1.0 CA G:GLU105 4.1 68.5 1.0 O E:HOH1172 4.3 17.2 1.0 CG G:ASP107 4.4 68.1 1.0 CG G:GLU105 4.5 75.0 1.0 N G:THR106 4.6 67.8 1.0 O G:GLY104 4.7 66.2 1.0 N G:ASP107 4.8 66.2 1.0 CB E:ASP136 4.8 64.8 1.0 O E:ALA137 4.9 51.1 1.0 CA G:THR106 4.9 69.5 1.0 C G:THR106 4.9 68.9 1.0 CB G:GLU105 4.9 70.4 1.0

Calcium binding site 8 out of 11 in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine 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 and L-Leucine Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca161 b:48.4 occ:1.00 O B:HOH1162 2.2 18.6 1.0 OD1 G:ASN118 2.4 64.4 1.0 O B:HOH1163 2.7 32.7 1.0 CG G:ASN118 3.5 61.2 1.0 O B:GLY67 3.5 44.0 1.0 O B:HOH1161 3.9 23.6 1.0 ND2 G:ASN118 4.0 70.6 1.0 OE1 B:GLU62 4.2 84.5 1.0 C B:GLY67 4.7 45.4 1.0 CB G:ASN118 4.7 54.2 1.0 O B:VAL142 4.8 56.7 1.0 CA G:ASN118 4.8 54.0 1.0 O B:LEU143 4.9 59.1 1.0 N G:ASN118 5.0 54.8 1.0

Calcium binding site 9 out of 11 in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine 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 and L-Leucine Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca161 b:66.0 occ:1.00 OD1 F:ASP107 2.4 62.5 1.0 OD1 H:ASP136 2.8 74.2 1.0 O F:GLU105 2.9 58.1 1.0 O F:GLY104 3.3 62.3 1.0 O H:ALA137 3.3 55.2 1.0 OD2 H:ASP136 3.4 80.0 1.0 CG H:ASP136 3.5 69.0 1.0 C F:GLU105 3.7 61.6 1.0 CG F:ASP107 3.7 63.9 1.0 CD2 F:LEU1160 3.7 36.7 1.0 N F:LEU1160 4.1 62.6 1.0 CA F:GLU105 4.1 66.5 1.0 C H:ALA137 4.3 48.1 1.0 N F:ASP107 4.3 64.1 1.0 C F:GLY104 4.4 59.7 1.0 OD2 F:ASP107 4.4 63.2 1.0 CA F:LEU1160 4.4 62.9 1.0 O F:HOH1176 4.4 52.6 1.0 O F:HOH1177 4.5 31.2 1.0 C F:THR106 4.5 64.4 1.0 CA F:ASP107 4.5 66.0 1.0 N F:THR106 4.6 62.9 1.0 CB H:GLN138 4.6 49.7 1.0 CB F:ASP107 4.7 65.9 1.0 N H:ALA137 4.7 52.6 1.0 N F:GLU105 4.8 62.5 1.0 O F:THR106 4.8 65.3 1.0 CG F:LEU1160 4.9 51.3 1.0 CB H:ASP136 5.0 56.1 1.0

Calcium binding site 10 out of 11 in the Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine Complex From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of Transcriptional Regulator NMB0573 and L-Leucine Complex From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca162 b:76.8 occ:1.00 O H:GLU105 2.4 69.4 1.0 C H:GLU105 3.3 71.3 1.0 CA H:GLU105 3.6 73.8 1.0 OD2 B:ASP136 3.8 56.1 1.0 OD1 H:ASP107 3.9 69.7 1.0 OD1 B:ASP136 3.9 68.4 1.0 CG B:ASP136 4.0 62.5 1.0 CG H:GLU105 4.1 80.1 1.0 O H:GLY104 4.2 69.0 1.0 CB H:GLU105 4.4 74.6 1.0 NE2 B:GLN138 4.5 58.4 1.0 N H:THR106 4.5 71.0 1.0 O B:ALA137 4.6 36.1 1.0 CG H:ASP107 4.7 64.7 1.0 N H:GLU105 4.7 71.0 1.0 C H:GLY104 4.9 66.0 1.0 OD2 H:ASP107 5.0 75.9 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