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Bromine in PDB 2pfh: Complex of Aldose Reductase with Nadp+ and Simaltaneously Bound Competetive Inhibitors Fidarestat and IDD594. Concentration of Fidarestat in Soaking Solution Is Less Than Concentration of IDD594.

Enzymatic activity of Complex of Aldose Reductase with Nadp+ and Simaltaneously Bound Competetive Inhibitors Fidarestat and IDD594. Concentration of Fidarestat in Soaking Solution Is Less Than Concentration of IDD594.

All present enzymatic activity of Complex of Aldose Reductase with Nadp+ and Simaltaneously Bound Competetive Inhibitors Fidarestat and IDD594. Concentration of Fidarestat in Soaking Solution Is Less Than Concentration of IDD594.:
1.1.1.21;

Protein crystallography data

The structure of Complex of Aldose Reductase with Nadp+ and Simaltaneously Bound Competetive Inhibitors Fidarestat and IDD594. Concentration of Fidarestat in Soaking Solution Is Less Than Concentration of IDD594., PDB code: 2pfh was solved by T.Petrova, I.Hazemann, A.Cousido, A.Mitschler, S.Ginell, A.Joachimiak, A.Podjarny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 0.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.147, 66.553, 47.238, 90.00, 92.31, 90.00
R / Rfree (%) 8.2 / 9.5

Other elements in 2pfh:

The structure of Complex of Aldose Reductase with Nadp+ and Simaltaneously Bound Competetive Inhibitors Fidarestat and IDD594. Concentration of Fidarestat in Soaking Solution Is Less Than Concentration of IDD594. also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Chlorine (Cl) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Complex of Aldose Reductase with Nadp+ and Simaltaneously Bound Competetive Inhibitors Fidarestat and IDD594. Concentration of Fidarestat in Soaking Solution Is Less Than Concentration of IDD594. (pdb code 2pfh). 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 Complex of Aldose Reductase with Nadp+ and Simaltaneously Bound Competetive Inhibitors Fidarestat and IDD594. Concentration of Fidarestat in Soaking Solution Is Less Than Concentration of IDD594., PDB code: 2pfh:

Bromine binding site 1 out of 1 in 2pfh

Go back to Bromine Binding Sites List in 2pfh
Bromine binding site 1 out of 1 in the Complex of Aldose Reductase with Nadp+ and Simaltaneously Bound Competetive Inhibitors Fidarestat and IDD594. Concentration of Fidarestat in Soaking Solution Is Less Than Concentration of IDD594.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Complex of Aldose Reductase with Nadp+ and Simaltaneously Bound Competetive Inhibitors Fidarestat and IDD594. Concentration of Fidarestat in Soaking Solution Is Less Than Concentration of IDD594. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br320

b:4.6
occ:0.76
BR8 A:LDT320 0.0 4.6 0.8
CD2 A:LEU300 0.9 6.5 0.2
C25 A:LDT320 1.9 4.3 0.8
CG A:LEU300 2.4 6.8 0.2
C28 A:LDT320 2.8 4.3 0.8
OG1 A:THR113 2.8 4.7 1.0
C29 A:LDT320 2.9 4.0 0.8
CD1 A:LEU300 3.1 8.9 0.2
CB A:LEU300 3.5 6.9 0.2
SG A:CYS303 3.8 9.2 0.2
CB A:CYS303 3.9 7.2 0.2
CE3 A:TRP111 3.9 4.1 1.0
CZ A:PHE115 3.9 5.0 1.0
CB A:TRP111 4.0 4.0 1.0
CB A:THR113 4.0 4.6 1.0
CB A:CYS303 4.0 5.4 0.8
CD2 A:TRP111 4.0 4.0 1.0
CG A:TRP111 4.0 4.1 1.0
CG2 A:THR113 4.0 5.4 1.0
C27 A:LDT320 4.1 4.0 0.8
SG A:CYS303 4.1 5.9 0.8
C26 A:LDT320 4.2 4.2 0.8
CE1 A:PHE115 4.2 5.0 1.0
CD1 A:TYR309 4.4 5.1 0.8
CE1 A:TYR309 4.5 5.4 0.8
SG A:CYS80 4.6 3.9 1.0
CZ3 A:TRP111 4.7 4.7 1.0
C24 A:LDT320 4.7 4.2 0.8
CA A:LEU300 4.8 7.1 0.2
CE2 A:TRP111 4.9 4.4 1.0
CD1 A:TRP111 4.9 4.7 1.0

Reference:

A.Cousido-Siah, T.Petrova, I.Hazemann, A.Mitschler, F.X.Ruiz, E.Howard, S.Ginell, C.Atmanene, A.Van Dorsselaer, S.Sanglier-Cianferani, A.Joachimiak, A.Podjarny. Crystal Packing Modifies Ligand Binding Affinity: the Case of Aldose Reductase. Proteins V. 80 2552 2012.
ISSN: ISSN 0887-3585
PubMed: 22752989
DOI: 10.1002/PROT.24136
Page generated: Sat Dec 12 02:07:31 2020

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