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Gold in PDB 1hug: Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes

Enzymatic activity of Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes

All present enzymatic activity of Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes:
4.2.1.1;

Protein crystallography data

The structure of Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes, PDB code: 1hug was solved by V.Kumar, K.K.Kannan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.800, 75.200, 37.100, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1hug:

The structure of Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Gold Binding Sites:

The binding sites of Gold atom in the Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes (pdb code 1hug). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 4 binding sites of Gold where determined in the Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes, PDB code: 1hug:
Jump to Gold binding site number: 1; 2; 3; 4;

Gold binding site 1 out of 4 in 1hug

Go back to Gold Binding Sites List in 1hug
Gold binding site 1 out of 4 in the Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Au500

b:18.9
occ:0.51
AU A:AUC500 0.0 18.9 0.5
AU A:AUC501 1.5 12.3 0.1
C1 A:AUC500 2.1 18.7 1.0
C2 A:AUC500 2.3 20.8 0.6
N1 A:AUC500 3.3 22.1 0.8
N2 A:AUC500 3.4 17.3 1.0
O A:HOH286 3.5 19.1 1.0
CD2 A:LEU198 3.8 10.1 1.0
CZ A:PHE91 4.0 4.7 1.0
CB A:ALA121 4.3 2.0 1.0
CE2 A:PHE91 4.4 4.0 1.0
CD1 A:LEU141 4.5 14.6 1.0
O A:HOH423 4.5 2.0 0.4
OE1 A:GLN92 4.5 11.4 1.0
CE1 A:HIS94 4.7 6.1 1.0
O A:HOH300 4.9 23.9 1.0

Gold binding site 2 out of 4 in 1hug

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Gold binding site 2 out of 4 in the Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Au501

b:12.3
occ:0.15
C2 A:AUC500 0.9 20.8 0.6
AU A:AUC500 1.5 18.9 0.5
N2 A:AUC500 1.9 17.3 1.0
O A:HOH286 3.4 19.1 1.0
C1 A:AUC500 3.6 18.7 1.0
CZ A:PHE91 3.7 4.7 1.0
CD2 A:LEU198 3.8 10.1 1.0
CE2 A:PHE91 3.9 4.0 1.0
CD1 A:LEU141 4.0 14.6 1.0
N1 A:AUC500 4.7 22.1 0.8
CD1 A:LEU198 4.8 12.1 1.0
CE1 A:PHE91 4.9 5.5 1.0
CG A:LEU198 4.9 13.9 1.0

Gold binding site 3 out of 4 in 1hug

Go back to Gold Binding Sites List in 1hug
Gold binding site 3 out of 4 in the Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 3 of Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Au502

b:38.6
occ:0.27
OD1 A:ASN178 2.4 27.9 1.0
CG A:ASN178 3.6 23.6 1.0
CB A:ALA54 3.9 19.9 1.0
O A:HOH386 3.9 43.2 1.0
N A:ALA54 3.9 14.7 1.0
CA A:ALA54 4.1 16.6 1.0
CG A:PRO53 4.2 16.0 1.0
CB A:ASN178 4.4 17.3 1.0
C A:PRO53 4.5 14.4 1.0
CB A:PRO53 4.6 15.4 1.0
ND2 A:ASN178 4.6 28.7 1.0
CA A:ASN178 4.7 14.1 1.0
OD1 A:ASN52 4.8 19.3 1.0
CA A:PRO53 4.9 14.9 1.0

Gold binding site 4 out of 4 in 1hug

Go back to Gold Binding Sites List in 1hug
Gold binding site 4 out of 4 in the Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 4 of Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Au503

b:58.5
occ:0.21
AU A:AUC503 0.0 58.5 0.2
C2 A:AUC503 2.1 54.6 1.0
C1 A:AUC503 2.1 55.2 1.0
ND2 A:ASN27 3.6 26.0 1.0
O A:HOH380 3.8 41.3 1.0
ND2 A:ASN26 3.9 35.2 1.0
O A:HOH298 4.2 23.1 1.0
CG A:ASN27 4.9 22.6 1.0
CG A:ASN26 5.0 29.4 1.0

Reference:

V.Kumar, K.K.Kannan, P.Sathyamurthi. Differences in Anionic Inhibition of Human Carbonic Anhydrase I Revealed From the Structures of Iodide and Gold Cyanide Inhibitor Complexes. Acta Crystallogr.,Sect.D V. 50 731 1994.
ISSN: ISSN 0907-4449
PubMed: 15299369
DOI: 10.1107/S0907444994001873
Page generated: Sat Dec 12 01:53:01 2020

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