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Chlorine in PDB 3mc5: Human Aldose Reductase Mutant T113V in Complex with IDD393 Crystallized in Spacegroup P1

Enzymatic activity of Human Aldose Reductase Mutant T113V in Complex with IDD393 Crystallized in Spacegroup P1

All present enzymatic activity of Human Aldose Reductase Mutant T113V in Complex with IDD393 Crystallized in Spacegroup P1:
1.1.1.21;

Protein crystallography data

The structure of Human Aldose Reductase Mutant T113V in Complex with IDD393 Crystallized in Spacegroup P1, PDB code: 3mc5 was solved by C.Koch, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.14
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 40.150, 47.190, 47.300, 76.10, 67.54, 76.97
R / Rfree (%) 12.3 / 15.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Aldose Reductase Mutant T113V in Complex with IDD393 Crystallized in Spacegroup P1 (pdb code 3mc5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Aldose Reductase Mutant T113V in Complex with IDD393 Crystallized in Spacegroup P1, PDB code: 3mc5:

Chlorine binding site 1 out of 1 in 3mc5

Go back to Chlorine Binding Sites List in 3mc5
Chlorine binding site 1 out of 1 in the Human Aldose Reductase Mutant T113V in Complex with IDD393 Crystallized in Spacegroup P1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Aldose Reductase Mutant T113V in Complex with IDD393 Crystallized in Spacegroup P1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:11.6
occ:1.00
 CL1 A:393600 0.0 11.6 1.0
C13 A:393600 1.7 10.6 1.0
C12 A:393600 2.7 11.2 1.0
C15 A:393600 2.7 9.4 1.0
O A:VAL47 3.3 7.9 1.0
O A:HOH1050 3.5 17.6 1.0
NE1 A:TRP20 3.5 6.7 1.0
CD1 A:TRP20 3.7 6.6 1.0
O A:HOH1018 3.7 10.8 1.0
O A:HOH1127 3.8 29.6 1.0
C A:VAL47 3.9 6.9 1.0
CD1 A:TYR48 3.9 6.5 1.0
C16 A:393600 4.0 8.5 1.0
C11 A:393600 4.0 11.8 1.0
O A:HOH1071 4.1 15.5 1.0
CG2 A:VAL47 4.1 8.8 1.0
CG1 A:VAL47 4.1 7.4 1.0
CA A:TYR48 4.2 7.3 1.0
N A:TYR48 4.3 6.5 1.0
O A:HOH1009 4.3 9.3 1.0
O A:HOH1080 4.4 19.3 1.0
C10 A:393600 4.5 9.8 1.0
CB A:VAL47 4.5 7.3 1.0
CE1 A:TYR48 4.6 5.9 1.0
CE2 A:TRP20 4.6 7.2 1.0
CA A:VAL47 4.9 7.2 1.0
CG A:TRP20 4.9 6.2 1.0
CG A:TYR48 4.9 6.3 1.0

Reference:

C.Koch, A.Heine, G.Klebe. Ligand-Induced Fit Affects Binding Modes and Provokes Changes in Crystal Packing of Aldose Reductase Biochim.Biophys.Acta V.1810 879 2011.
ISSN: ISSN 0006-3002
PubMed: 21684320
DOI: 10.1016/J.BBAGEN.2011.06.001
Page generated: Sun Jul 21 00:07:30 2024

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