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Bromine in PDB 1iei: Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat.

Enzymatic activity of Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat.

All present enzymatic activity of Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat.:
1.1.1.21;

Protein crystallography data

The structure of Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat., PDB code: 1iei was solved by T.Kinoshita, H.Miyake, T.Fujii, S.Takakura, T.Goto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 40.400, 47.970, 47.660, 76.20, 76.70, 67.50
R / Rfree (%) 17.8 / 19.9

Other elements in 1iei:

The structure of Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat. also contains other interesting chemical elements:

Fluorine (F) 1 atom
Chlorine (Cl) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat. (pdb code 1iei). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat., PDB code: 1iei:

Bromine binding site 1 out of 1 in 1iei

Go back to Bromine Binding Sites List in 1iei
Bromine binding site 1 out of 1 in the Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Human Aldose Reductase Complexed with the Inhibitor Zenarestat. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br351

b:9.8
occ:1.00
BR3 A:ZES351 0.0 9.8 1.0
C20 A:ZES351 1.9 6.9 1.0
C19 A:ZES351 2.7 7.8 1.0
C21 A:ZES351 2.8 9.3 1.0
CG2 A:THR113 3.4 9.7 1.0
OH A:TYR309 3.4 18.4 1.0
CD2 A:TRP111 3.8 12.8 1.0
CE3 A:TRP111 3.8 15.2 1.0
CG A:TRP111 3.9 9.5 1.0
CB A:THR113 3.9 8.8 1.0
C18 A:ZES351 4.0 7.2 1.0
CE1 A:TYR309 4.0 17.9 1.0
C22 A:ZES351 4.1 6.8 1.0
CB A:TRP111 4.1 10.8 1.0
CZ A:TYR309 4.2 22.1 1.0
OG1 A:THR113 4.3 3.1 1.0
CB A:CYS303 4.4 12.8 1.0
SG A:CYS303 4.4 10.2 1.0
CE2 A:TRP111 4.5 13.5 1.0
CD1 A:TRP111 4.5 13.3 1.0
CZ3 A:TRP111 4.5 15.2 1.0
C15 A:ZES351 4.6 10.1 1.0
O A:HOH517 4.7 25.5 1.0
SG A:CYS80 4.7 2.1 1.0
NE1 A:TRP111 4.9 13.1 1.0

Reference:

T.Kinoshita, H.Miyake, T.Fujii, S.Takakura, T.Goto. The Structure of Human Recombinant Aldose Reductase Complexed with the Potent Inhibitor Zenarestat. Acta Crystallogr.,Sect.D V. 58 622 2002.
ISSN: ISSN 0907-4449
PubMed: 11914486
DOI: 10.1107/S0907444902002378
Page generated: Wed Jul 10 16:40:26 2024

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