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Bromine in PDB 1pwl: Crystal Structure of Human Aldose Reductase Complexed with Nadp and Minalrestat

Enzymatic activity of Crystal Structure of Human Aldose Reductase Complexed with Nadp and Minalrestat

All present enzymatic activity of Crystal Structure of Human Aldose Reductase Complexed with Nadp and Minalrestat:
1.1.1.21;

Protein crystallography data

The structure of Crystal Structure of Human Aldose Reductase Complexed with Nadp and Minalrestat, PDB code: 1pwl was solved by O.El-Kabbani, C.Darmanin, T.R.Schneider, I.Hazemann, F.Ruiz, M.Oka, A.Joachimiak, C.Schulze-Briese, T.Tomizaki, A.Mitschler, A.Podjarny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 40.019, 47.128, 47.367, 75.71, 67.48, 76.75
R / Rfree (%) 9.9 / 12.5

Other elements in 1pwl:

The structure of Crystal Structure of Human Aldose Reductase Complexed with Nadp and Minalrestat also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Human Aldose Reductase Complexed with Nadp and Minalrestat (pdb code 1pwl). 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 Nadp and Minalrestat, PDB code: 1pwl:

Bromine binding site 1 out of 1 in 1pwl

Go back to Bromine Binding Sites List in 1pwl
Bromine binding site 1 out of 1 in the Crystal Structure of Human Aldose Reductase Complexed with Nadp and Minalrestat


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 Nadp and Minalrestat within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br320

b:8.6
occ:0.95
 BR36 A:BFI320 0.0 8.6 0.9
C27 A:BFI320 1.9 6.9 1.0
C30 A:BFI320 2.8 7.5 1.0
C31 A:BFI320 2.8 6.8 1.0
CG2 A:THR113 2.9 5.3 0.0
OG1 A:THR113 3.0 7.5 1.0
CD2 A:TRP111 3.7 5.9 1.0
CE3 A:TRP111 3.7 6.4 1.0
CG A:TRP111 3.8 5.5 1.0
CZ A:PHE115 3.8 8.5 1.0
CB A:TRP111 4.0 5.6 1.0
SG A:CYS303 4.0 12.7 1.0
CB A:CYS303 4.1 12.6 1.0
C29 A:BFI320 4.1 7.0 1.0
CB A:THR113 4.1 7.4 1.0
C28 A:BFI320 4.1 7.2 1.0
CE1 A:PHE115 4.1 8.4 1.0
CB A:THR113 4.1 8.3 0.0
CG2 A:THR113 4.2 8.2 1.0
CE2 A:TRP111 4.4 6.0 1.0
CZ3 A:TRP111 4.4 6.8 1.0
OG1 A:THR113 4.5 10.5 0.0
CD1 A:TRP111 4.5 6.2 1.0
CD1 A:TYR309 4.7 10.3 1.0
C25 A:BFI320 4.7 6.6 1.0
CE1 A:TYR309 4.7 10.3 1.0
SG A:CYS80 4.8 6.9 1.0
NE1 A:TRP111 4.8 6.3 1.0
CZ2 A:TRP111 5.0 7.0 1.0
CH2 A:TRP111 5.0 7.3 1.0

Reference:

O.El-Kabbani, C.Darmanin, T.R.Schneider, I.Hazemann, F.Ruiz, M.Oka, A.Joachimiak, C.Schulze-Briese, T.Tomizaki, A.Mitschler, A.Podjarny. Ultrahigh Resolution Drug Design. II. Atomic Resolution Structures of Human Aldose Reductase Holoenzyme Complexed with Fidarestat and Minalrestat: Implications For the Binding of Cyclic Imide Inhibitors Proteins V. 55 805 2004.
ISSN: ISSN 0887-3585
PubMed: 15146479
DOI: 10.1002/PROT.20001
Page generated: Wed Jul 10 17:13:29 2024

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