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Zinc in PDB 2x7s: Structures of Human Carbonic Anhydrase II Inhibitor Complexes Reveal A Second Binding Site For Steroidal and Non-Steroidal Inhibitors.

Enzymatic activity of Structures of Human Carbonic Anhydrase II Inhibitor Complexes Reveal A Second Binding Site For Steroidal and Non-Steroidal Inhibitors.

All present enzymatic activity of Structures of Human Carbonic Anhydrase II Inhibitor Complexes Reveal A Second Binding Site For Steroidal and Non-Steroidal Inhibitors.:
4.2.1.1;

Protein crystallography data

The structure of Structures of Human Carbonic Anhydrase II Inhibitor Complexes Reveal A Second Binding Site For Steroidal and Non-Steroidal Inhibitors., PDB code: 2x7s was solved by G.E.Cozier, M.P.Leese, M.D.Lloyd, M.D.Baker, N.Thiyagarajan, K.R.Acharya, B.V.L.Potter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.88 / 1.64
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.044, 71.916, 73.751, 90.00, 90.00, 90.00
R / Rfree (%) 25.6 / 27.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Structures of Human Carbonic Anhydrase II Inhibitor Complexes Reveal A Second Binding Site For Steroidal and Non-Steroidal Inhibitors. (pdb code 2x7s). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structures of Human Carbonic Anhydrase II Inhibitor Complexes Reveal A Second Binding Site For Steroidal and Non-Steroidal Inhibitors., PDB code: 2x7s:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2x7s

Go back to Zinc Binding Sites List in 2x7s
Zinc binding site 1 out of 2 in the Structures of Human Carbonic Anhydrase II Inhibitor Complexes Reveal A Second Binding Site For Steroidal and Non-Steroidal Inhibitors.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structures of Human Carbonic Anhydrase II Inhibitor Complexes Reveal A Second Binding Site For Steroidal and Non-Steroidal Inhibitors. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1265

b:12.2
occ:1.00
 ND1 A:HIS119 2.0 10.0 1.0
NE2 A:HIS96 2.0 8.0 1.0
NE2 A:HIS94 2.0 12.1 1.0
NAC A:WZC1263 2.1 13.1 1.0
CE1 A:HIS119 2.8 12.4 1.0
CD2 A:HIS96 2.9 14.3 1.0
CD2 A:HIS94 2.9 11.9 1.0
CE1 A:HIS96 3.0 10.2 1.0
CE1 A:HIS94 3.1 11.4 1.0
SAZ A:WZC1263 3.1 13.0 1.0
CG A:HIS119 3.1 9.6 1.0
OAD A:WZC1263 3.2 10.2 1.0
CB A:HIS119 3.6 10.3 1.0
OAP A:WZC1263 3.7 15.4 1.0
OG1 A:THR198 3.8 16.2 1.0
OE2 A:GLU106 3.9 11.4 1.0
NE2 A:HIS119 4.0 10.9 1.0
CG A:HIS96 4.1 10.8 1.0
ND1 A:HIS96 4.1 14.6 1.0
CG A:HIS94 4.1 13.2 1.0
ND1 A:HIS94 4.1 13.2 1.0
CD2 A:HIS119 4.2 11.0 1.0
CAK A:WZC1263 4.2 20.5 1.0
OAE A:WZC1263 4.3 11.6 1.0
CAV A:WZC1263 4.4 18.8 1.0
CD A:GLU106 4.8 12.5 1.0

Zinc binding site 2 out of 2 in 2x7s

Go back to Zinc Binding Sites List in 2x7s
Zinc binding site 2 out of 2 in the Structures of Human Carbonic Anhydrase II Inhibitor Complexes Reveal A Second Binding Site For Steroidal and Non-Steroidal Inhibitors.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structures of Human Carbonic Anhydrase II Inhibitor Complexes Reveal A Second Binding Site For Steroidal and Non-Steroidal Inhibitors. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1266

b:47.3
occ:1.00
 NE2 A:HIS64 2.1 23.8 1.0
NE2 A:HIS4 2.3 35.0 1.0
CE1 A:HIS4 2.7 36.1 1.0
CD2 A:HIS64 3.0 22.1 1.0
CE1 A:HIS64 3.2 25.0 1.0
CD2 A:HIS4 3.6 34.5 1.0
ND1 A:HIS4 4.0 34.8 1.0
NE1 A:TRP5 4.0 24.2 1.0
CG A:HIS64 4.2 22.7 1.0
ND1 A:HIS64 4.3 22.0 1.0
O A:ASN62 4.4 23.1 1.0
CE2 A:TRP5 4.4 23.8 1.0
CG A:HIS4 4.4 33.4 1.0
CZ2 A:TRP5 4.6 24.3 1.0
CD1 A:TRP5 4.7 25.7 1.0

Reference:

G.E.Cozier, M.P.Leese, M.D.Lloyd, M.D.Baker, N.Thiyagarajan, K.R.Acharya, B.V.L.Potter. Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal A Second Binding Site For Steroidal and Nonsteroidal Inhibitors. Biochemistry V. 49 3464 2010.
ISSN: ISSN 0006-2960
PubMed: 20297840
DOI: 10.1021/BI902178W
Page generated: Thu Oct 17 05:11:00 2024

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