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

Protein crystallography data

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

Calcium Binding Sites:

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 2p6s

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


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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 2p6s

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


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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 2p6s

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


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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 2p6s

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


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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 2p6s

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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 2p6s

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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 2p6s

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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 2p6s

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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 2p6s

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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

Reference:

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
Page generated: Sat Dec 12 03:49:35 2020

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