Zinc in PDB 7uec: Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K

Enzymatic activity of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K

All present enzymatic activity of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K:
1.1.1.1;

Protein crystallography data

The structure of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K, PDB code: 7uec was solved by B.V.Plapp, L.Gakhar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.40 / 1.20
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.41, 51.22, 92.42, 91.72, 103.11, 110.22
R / Rfree (%) 12.4 / 16.1

Other elements in 7uec:

The structure of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K also contains other interesting chemical elements:

Fluorine (F) 10 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K (pdb code 7uec). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K, PDB code: 7uec:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 7uec

Go back to Zinc Binding Sites List in 7uec
Zinc binding site 1 out of 4 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:11.8
occ:1.00
 O1 A:PFB404 2.0 12.5 1.0
NE2 A:HIS67 2.0 10.3 1.0
SG A:CYS174 2.3 11.4 1.0
SG A:CYS46 2.3 11.8 1.0
C7 A:PFB404 2.9 12.1 1.0
CE1 A:HIS67 3.0 10.1 1.0
CD2 A:HIS67 3.1 10.7 1.0
CB A:CYS46 3.3 11.2 1.0
C5N A:NAJ403 3.3 9.6 1.0
CB A:CYS174 3.4 10.5 1.0
OG A:SER48 3.8 11.0 1.0
C6N A:NAJ403 3.9 9.7 1.0
C4N A:NAJ403 3.9 11.2 1.0
CB A:SER48 4.0 11.1 1.0
F6 A:PFB404 4.1 13.3 1.0
C1 A:PFB404 4.2 12.3 1.0
ND1 A:HIS67 4.2 10.4 1.0
CG A:HIS67 4.2 10.1 1.0
C6 A:PFB404 4.6 13.1 1.0
NH2 A:ARG369 4.6 12.5 1.0
CA A:CYS174 4.8 9.8 1.0
CA A:CYS46 4.8 11.8 1.0
N A:SER48 4.8 10.9 1.0
CE2 A:PHE93 4.9 11.2 1.0
N1N A:NAJ403 4.9 9.2 1.0
OE2 A:GLU68 4.9 13.1 1.0

Zinc binding site 2 out of 4 in 7uec

Go back to Zinc Binding Sites List in 7uec
Zinc binding site 2 out of 4 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:12.2
occ:1.00
 SG A:CYS97 2.3 13.7 1.0
SG A:CYS111 2.3 12.1 1.0
SG A:CYS100 2.3 12.7 1.0
SG A:CYS103 2.4 12.0 1.0
CB A:CYS111 3.3 11.4 1.0
CB A:CYS100 3.4 12.7 1.0
CB A:CYS97 3.4 13.0 1.0
CB A:CYS103 3.4 12.2 1.0
N A:CYS97 3.5 12.0 1.0
CA A:CYS111 3.7 10.8 1.0
N A:CYS100 3.9 14.6 1.0
CA A:CYS97 3.9 12.6 1.0
N A:LEU112 4.0 11.5 1.0
N A:GLY98 4.0 13.4 1.0
N A:CYS103 4.2 11.6 1.0
CA A:CYS100 4.2 14.7 1.0
C A:CYS111 4.3 11.9 1.0
C A:CYS97 4.3 14.2 1.0
CA A:CYS103 4.4 12.2 1.0
N A:LYS99 4.5 15.3 1.0
C A:GLN96 4.6 11.9 1.0
N A:LYS113 4.9 12.3 1.0
C A:CYS100 4.9 13.0 1.0
O A:HOH866 4.9 29.9 1.0
CG A:LYS113 4.9 15.9 1.0
O A:CYS100 4.9 13.4 1.0
CA A:GLN96 4.9 12.2 1.0
CA A:GLY98 5.0 14.4 1.0

Zinc binding site 3 out of 4 in 7uec

Go back to Zinc Binding Sites List in 7uec
Zinc binding site 3 out of 4 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:14.0
occ:1.00
 O1 B:PFB404 1.9 13.8 1.0
NE2 B:HIS67 2.0 13.6 1.0
SG B:CYS46 2.3 14.0 1.0
SG B:CYS174 2.3 13.1 1.0
C7 B:PFB404 2.9 13.6 1.0
CE1 B:HIS67 3.0 12.5 1.0
CD2 B:HIS67 3.1 12.6 1.0
CB B:CYS46 3.3 13.0 1.0
C5N B:NAJ403 3.4 11.7 1.0
CB B:CYS174 3.4 12.2 1.0
OG B:SER48 3.8 13.0 1.0
C4N B:NAJ403 3.9 12.6 1.0
C6N B:NAJ403 3.9 12.1 1.0
CB B:SER48 4.0 12.5 1.0
F6 B:PFB404 4.1 15.6 1.0
ND1 B:HIS67 4.2 12.3 1.0
C1 B:PFB404 4.2 15.4 1.0
CG B:HIS67 4.2 12.5 1.0
NH2 B:ARG369 4.6 14.8 1.0
C6 B:PFB404 4.6 14.9 1.0
CA B:CYS174 4.7 12.0 1.0
CA B:CYS46 4.7 12.7 1.0
N B:SER48 4.8 12.4 1.0
CE2 B:PHE93 4.9 12.5 1.0
OE2 B:GLU68 4.9 15.3 1.0
N1N B:NAJ403 4.9 11.2 1.0
CA B:SER48 5.0 12.3 1.0

Zinc binding site 4 out of 4 in 7uec

Go back to Zinc Binding Sites List in 7uec
Zinc binding site 4 out of 4 in the Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Horse Liver Alcohol Dehydrogenase with Nad and Pentafluorobenzyl Alcohol at 50 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:14.8
occ:1.00
 SG B:CYS100 2.3 15.0 1.0
SG B:CYS111 2.3 14.4 1.0
SG B:CYS97 2.3 17.4 1.0
SG B:CYS103 2.4 14.0 1.0
CB B:CYS111 3.3 12.2 1.0
CB B:CYS100 3.4 18.1 1.0
CB B:CYS97 3.4 16.2 1.0
CB B:CYS103 3.4 15.6 1.0
N B:CYS97 3.5 15.6 1.0
CA B:CYS111 3.7 12.8 1.0
N B:CYS100 3.9 17.3 1.0
CA B:CYS97 3.9 17.1 1.0
N B:LEU112 3.9 14.1 1.0
N B:GLY98 4.0 17.6 1.0
CA B:CYS100 4.2 17.0 1.0
N B:CYS103 4.2 14.2 1.0
C B:CYS111 4.3 13.6 1.0
C B:CYS97 4.3 17.1 1.0
CA B:CYS103 4.4 13.3 1.0
N B:LYS99 4.5 19.0 1.0
C B:GLN96 4.6 14.5 1.0
N B:LYS113 4.8 14.8 1.0
CG B:LYS113 4.9 17.8 1.0
C B:CYS100 4.9 16.5 1.0
CA B:GLN96 4.9 13.8 1.0
O B:CYS100 5.0 15.6 1.0
O B:HOH809 5.0 32.0 1.0

Reference:

B.V.Plapp, L.Gakhar, R.Subramanian. Dependence of Crystallographic Atomic Displacement Factors on Temperature (25-150 K) For Complexes of Horse Liver Alcohol Dehydrogenases Acta Crystallogr.,Sect.D V. D78 1221 2022.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798322008361
Page generated: Wed Oct 30 12:04:07 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy