Zinc in PDB 3gug: Crystal Structure of AKR1C1 L308V Mutant in Complex with Nadp and 3,5-Dichlorosalicylic Acid

The structure of Crystal Structure of AKR1C1 L308V Mutant in Complex with Nadp and 3,5-Dichlorosalicylic Acid, PDB code: 3gug was solved by U.Dhagat, O.El-Kabbani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.03 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.412, 83.885, 48.914, 90.00, 90.98, 90.00
R / Rfree (%)	19 / 26

The structure of Crystal Structure of AKR1C1 L308V Mutant in Complex with Nadp and 3,5-Dichlorosalicylic Acid also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of AKR1C1 L308V Mutant in Complex with Nadp and 3,5-Dichlorosalicylic Acid (pdb code 3gug). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of AKR1C1 L308V Mutant in Complex with Nadp and 3,5-Dichlorosalicylic Acid, PDB code: 3gug:

Zinc binding site 1 out of 1 in the Crystal Structure of AKR1C1 L308V Mutant in Complex with Nadp and 3,5-Dichlorosalicylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of AKR1C1 L308V Mutant in Complex with Nadp and 3,5-Dichlorosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn324 b:30.1 occ:1.00 NE2 A:HIS248 1.9 16.3 1.0 OE2 A:GLU292 2.2 27.2 1.0 OE1 A:GLU292 2.5 25.5 1.0 CD A:GLU292 2.7 26.4 1.0 CE1 A:HIS248 2.8 22.1 1.0 CD2 A:HIS248 3.0 25.3 1.0 ND1 A:HIS248 4.0 23.4 1.0 O A:GLN287 4.0 25.4 1.0 CG2 A:THR289 4.0 25.1 1.0 CG A:HIS248 4.1 23.8 1.0 CG A:GLU292 4.2 25.2 1.0 O A:HOH605 4.3 34.5 1.0 N A:THR289 4.4 24.3 1.0 CA A:LEU288 4.5 26.2 1.0 CD A:LYS247 4.7 28.0 1.0 CD2 A:LEU288 4.8 27.8 1.0 OG1 A:THR289 4.9 24.3 1.0 C A:LEU288 4.9 25.4 1.0 CB A:GLU292 4.9 25.9 1.0 CB A:THR289 4.9 24.1 1.0 O A:HOH517 4.9 33.1 1.0 CE A:LYS247 5.0 30.2 1.0 C A:GLN287 5.0 26.7 1.0

U.Dhagat, A.Hara, O.El-Kabbani. Crystal Structure of AKR1C1 L308V Mutant in Complex with Nadp and 3,5-Dichlorosalicylic Acid To Be Published.