Atomistry » Calcium » PDB 3gif-3gy5 » 3gk2
Atomistry »
  Calcium »
    PDB 3gif-3gy5 »
      3gk2 »

Calcium in PDB 3gk2: X-Ray Structure of Bovine SBI279,Ca(2+)-S100B

Protein crystallography data

The structure of X-Ray Structure of Bovine SBI279,Ca(2+)-S100B, PDB code: 3gk2 was solved by T.H.Charpentier, D.J.Weber, E.A.Toth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.60 / 1.98
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 34.224, 91.158, 58.649, 90.00, 90.00, 90.00
R / Rfree (%) 22.7 / 28.1

Other elements in 3gk2:

The structure of X-Ray Structure of Bovine SBI279,Ca(2+)-S100B also contains other interesting chemical elements:

Arsenic (As) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of Bovine SBI279,Ca(2+)-S100B (pdb code 3gk2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Structure of Bovine SBI279,Ca(2+)-S100B, PDB code: 3gk2:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3gk2

Go back to Calcium Binding Sites List in 3gk2
Calcium binding site 1 out of 2 in the X-Ray Structure of Bovine SBI279,Ca(2+)-S100B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of Bovine SBI279,Ca(2+)-S100B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca92

b:47.5
occ:1.00
O A:HOH121 2.3 43.7 1.0
O A:ASP23 2.3 50.5 1.0
O A:GLU21 2.4 50.7 1.0
O A:SER18 2.4 50.1 1.0
O A:LYS26 2.5 50.2 1.0
OE1 A:GLU31 2.6 49.8 1.0
OE2 A:GLU31 3.0 50.0 1.0
CD A:GLU31 3.1 49.9 1.0
C A:SER18 3.5 50.2 1.0
C A:ASP23 3.5 50.5 1.0
C A:GLU21 3.6 50.7 1.0
C A:LYS26 3.7 50.3 1.0
CA A:SER18 4.0 50.1 1.0
N A:ASP23 4.1 50.5 1.0
N A:GLU21 4.2 50.6 1.0
OE1 A:GLU67 4.3 50.7 1.0
CA A:ASP23 4.3 50.4 1.0
C A:GLY22 4.3 50.5 1.0
N A:LYS28 4.3 50.0 1.0
N A:LYS24 4.5 50.5 1.0
CA A:GLU21 4.5 50.7 1.0
CA A:LEU27 4.5 50.0 1.0
N A:LEU27 4.5 50.1 1.0
N A:LYS26 4.6 50.4 1.0
N A:GLY22 4.6 50.6 1.0
CA A:LYS24 4.6 50.5 1.0
CG A:LYS28 4.6 50.4 1.0
N A:GLY19 4.6 50.2 1.0
CG A:GLU31 4.6 50.0 1.0
CA A:LYS26 4.6 50.3 1.0
CB A:SER18 4.7 50.0 1.0
CA A:GLY22 4.7 50.6 1.0
CB A:ASP23 4.8 50.4 1.0
O A:GLY22 4.8 50.5 1.0
O A:TYR17 4.8 50.1 1.0
C A:LEU27 4.8 50.1 1.0
NZ A:LYS28 4.8 52.5 1.0
N A:ARG20 4.9 50.5 1.0
C A:LYS24 5.0 50.5 1.0

Calcium binding site 2 out of 2 in 3gk2

Go back to Calcium Binding Sites List in 3gk2
Calcium binding site 2 out of 2 in the X-Ray Structure of Bovine SBI279,Ca(2+)-S100B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of Bovine SBI279,Ca(2+)-S100B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca93

b:47.8
occ:1.00
OD1 A:ASP65 2.2 50.0 1.0
O A:GLU67 2.3 50.3 1.0
OD1 A:ASP61 2.4 50.8 1.0
OD1 A:ASP63 2.5 49.9 1.0
OE1 A:GLU72 2.6 49.2 1.0
OE2 A:GLU72 2.8 49.2 1.0
CD A:GLU72 3.0 49.7 1.0
CG A:ASP65 3.3 50.1 1.0
C A:GLU67 3.5 50.3 1.0
CG A:ASP63 3.5 50.0 1.0
CG A:ASP61 3.5 50.5 1.0
OD2 A:ASP65 3.8 50.4 1.0
OD2 A:ASP63 3.8 49.8 1.0
N A:ASP65 4.1 50.1 1.0
N A:GLU67 4.2 50.3 1.0
CA A:ASP61 4.2 50.2 1.0
CB A:ASP61 4.3 50.3 1.0
OD2 A:ASP61 4.3 50.4 1.0
N A:CYS68 4.4 50.4 1.0
CA A:GLU67 4.4 50.4 1.0
CB A:ASP65 4.4 50.1 1.0
CA A:CYS68 4.4 50.3 1.0
N A:GLY64 4.4 50.2 1.0
N A:ASP69 4.5 50.2 1.0
N A:ASP63 4.5 50.1 1.0
CG A:GLU72 4.5 49.8 1.0
OD2 A:ASP69 4.6 51.0 1.0
N A:SER62 4.6 50.2 1.0
CA A:ASP65 4.6 50.1 1.0
C A:ASP61 4.6 50.3 1.0
N A:GLY66 4.7 50.1 1.0
CG A:ASP69 4.8 50.6 1.0
CB A:ASP63 4.8 50.1 1.0
C A:ASP65 4.9 50.1 1.0
C A:CYS68 4.9 50.3 1.0
CA A:ASP63 5.0 50.1 1.0

Reference:

T.H.Charpentier, P.T.Wilder, M.A.Liriano, K.M.Varney, S.Zhong, A.Coop, E.Pozharski, A.D.Mackerell, E.A.Toth, D.J.Weber. Small Molecules Bound to Unique Sites in the Target Protein Binding Cleft of Calcium-Bound S100B As Characterized By Nuclear Magnetic Resonance and X-Ray Crystallography. Biochemistry V. 48 6202 2009.
ISSN: ISSN 0006-2960
PubMed: 19469484
DOI: 10.1021/BI9005754
Page generated: Sat Jul 13 10:42:46 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy