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Zinc in PDB 2x7u: 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: 2x7u 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) 26.91 / 2.12
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.502, 69.540, 73.207, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 25.3

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 2x7u). 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: 2x7u:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2x7u

Go back to Zinc Binding Sites List in 2x7u
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:Zn1261

b:14.8
occ:1.00
 N1 A:WZA1263 1.9 35.9 0.8
ND1 A:HIS119 2.0 11.8 1.0
NE2 A:HIS94 2.2 18.1 1.0
NE2 A:HIS96 2.2 20.9 1.0
CD2 A:HIS94 2.9 19.8 1.0
CE1 A:HIS119 2.9 15.5 1.0
CD2 A:HIS96 3.0 19.4 1.0
S1 A:WZA1263 3.0 36.6 0.8
CG A:HIS119 3.1 16.1 1.0
O2 A:WZA1263 3.1 32.5 0.8
CE1 A:HIS94 3.3 21.5 1.0
CE1 A:HIS96 3.4 20.9 1.0
O3 A:WZA1263 3.6 41.1 0.8
CB A:HIS119 3.6 15.1 1.0
OE1 A:GLU106 4.0 21.0 1.0
NE2 A:HIS119 4.0 14.2 1.0
OG1 A:THR198 4.1 15.2 1.0
CG A:HIS94 4.1 18.4 1.0
CD2 A:HIS119 4.2 16.8 1.0
O1 A:WZA1263 4.2 36.4 0.8
CG A:HIS96 4.2 21.0 1.0
ND1 A:HIS94 4.3 19.5 1.0
ND1 A:HIS96 4.4 21.8 1.0
C1 A:WZA1263 4.9 46.7 0.8
CD A:GLU106 5.0 21.7 1.0

Zinc binding site 2 out of 2 in 2x7u

Go back to Zinc Binding Sites List in 2x7u
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:Zn1262

b:43.7
occ:1.00
 NE2 A:HIS64 2.2 26.0 1.0
NE2 A:HIS4 2.4 38.4 1.0
CE1 A:HIS4 3.1 39.3 1.0
CE1 A:HIS64 3.2 25.3 1.0
CD2 A:HIS64 3.3 25.0 1.0
CD2 A:HIS4 3.6 38.5 1.0
CZ2 A:TRP5 3.9 29.4 1.0
NE1 A:TRP5 4.0 28.5 1.0
CE2 A:TRP5 4.1 28.4 1.0
ND1 A:HIS64 4.3 24.2 1.0
CG A:HIS64 4.4 24.0 1.0
ND1 A:HIS4 4.4 40.2 1.0
CG A:HIS4 4.6 39.2 1.0
CH2 A:TRP5 4.9 29.6 1.0
O A:ASN62 4.9 22.6 1.0
CD1 A:TRP5 5.0 27.1 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 Non-Steroidal Inhibitors. Biochemistry V. 49 3464 2010.
ISSN: ISSN 0006-2960
PubMed: 20297840
DOI: 10.1021/BI902178W
Page generated: Thu Oct 17 05:11:12 2024

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