Chlorine in PDB 4yvp: Crystal Structure of AKR1C1 Complexed with Glibenclamide

All present enzymatic activity of Crystal Structure of AKR1C1 Complexed with Glibenclamide:
1.1.1.112; 1.1.1.149; 1.3.1.20;

The structure of Crystal Structure of AKR1C1 Complexed with Glibenclamide, PDB code: 4yvp was solved by Y.Zhao, X.Zheng, H.Zhang, X.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.38 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.545, 76.168, 88.706, 90.00, 94.88, 90.00
R / Rfree (%)	21.2 / 24.7

The binding sites of Chlorine atom in the Crystal Structure of AKR1C1 Complexed with Glibenclamide (pdb code 4yvp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of AKR1C1 Complexed with Glibenclamide, PDB code: 4yvp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of AKR1C1 Complexed with Glibenclamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of AKR1C1 Complexed with Glibenclamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:35.3 occ:1.00 CL1 A:GBM402 0.0 35.3 1.0 C31 A:GBM402 1.7 30.9 1.0 C32 A:GBM402 2.7 30.4 1.0 C29 A:GBM402 2.7 29.5 1.0 C30 A:GBM402 4.0 30.5 1.0 C27 A:GBM402 4.0 28.2 1.0 ND2 A:ASN56 4.4 14.8 1.0 C28 A:GBM402 4.5 29.5 1.0 CG2 A:VAL128 4.8 30.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of AKR1C1 Complexed with Glibenclamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of AKR1C1 Complexed with Glibenclamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:34.5 occ:1.00 CL1 B:GBM402 0.0 34.5 1.0 C31 B:GBM402 1.7 30.3 1.0 C29 B:GBM402 2.7 29.1 1.0 C32 B:GBM402 2.7 29.5 1.0 C30 B:GBM402 4.0 28.9 1.0 C27 B:GBM402 4.0 27.1 1.0 C28 B:GBM402 4.5 28.7 1.0 ND2 B:ASN56 4.6 14.3 1.0

Y.Zhao, X.Zheng, H.Zhang, J.Zhai, L.Zhang, C.Li, K.Zeng, Y.Chen, Q.Li, X.Hu. In Vitro Inhibition of AKR1CS By Sulphonylureas and the Structural Basis Chem.Biol.Interact. V. 240 310 2015.
ISSN: ISSN 0009-2797
PubMed: 26362498
DOI: 10.1016/J.CBI.2015.09.006