Atomistry » Zinc » PDB 7jiv-7ju8 » 7jqa
Atomistry »
  Zinc »
    PDB 7jiv-7ju8 »
      7jqa »

Zinc in PDB 7jqa: Eqadh-Nadh-4-Bromobenzyl Alcohol, P21

Enzymatic activity of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21

All present enzymatic activity of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21:
1.1.1.1;

Protein crystallography data

The structure of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21, PDB code: 7jqa was solved by B.V.Plapp, S.Ramaswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.91 / 1.53
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.050, 180.140, 86.660, 90.00, 105.96, 90.00
R / Rfree (%) 14.8 / 22.1

Other elements in 7jqa:

The structure of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21 also contains other interesting chemical elements:

Bromine (Br) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Eqadh-Nadh-4-Bromobenzyl Alcohol, P21 (pdb code 7jqa). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Eqadh-Nadh-4-Bromobenzyl Alcohol, P21, PDB code: 7jqa:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 7jqa

Go back to Zinc Binding Sites List in 7jqa
Zinc binding site 1 out of 8 in the Eqadh-Nadh-4-Bromobenzyl Alcohol, P21


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:19.7
occ:1.00
 NE2 A:HIS67 2.1 13.6 1.0
SG A:CYS174 2.2 16.7 1.0
SG A:CYS46 2.3 17.2 1.0
O1 A:BRB404 2.3 16.2 1.0
CE1 A:HIS67 3.1 15.8 1.0
CD2 A:HIS67 3.1 13.4 1.0
C7 A:BRB404 3.2 16.7 1.0
CB A:CYS46 3.2 14.6 1.0
CB A:CYS174 3.3 16.5 1.0
C5N A:NAI403 3.4 14.9 1.0
OG A:SER48 3.9 19.5 1.0
C4N A:NAI403 4.0 15.7 1.0
C6N A:NAI403 4.0 16.7 1.0
CB A:SER48 4.1 15.5 1.0
ND1 A:HIS67 4.2 13.8 1.0
CG A:HIS67 4.2 14.6 1.0
OE2 A:GLU68 4.5 22.3 1.0
NH2 A:ARG369 4.5 21.0 1.0
C1 A:BRB404 4.6 18.1 1.0
CA A:CYS174 4.7 16.2 1.0
CA A:CYS46 4.7 14.3 1.0
CE2 A:PHE93 4.9 16.5 1.0
N A:SER48 4.9 15.9 1.0
N A:GLY175 5.0 15.9 1.0

Zinc binding site 2 out of 8 in 7jqa

Go back to Zinc Binding Sites List in 7jqa
Zinc binding site 2 out of 8 in the Eqadh-Nadh-4-Bromobenzyl Alcohol, P21


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:18.1
occ:1.00
 SG A:CYS103 2.3 16.9 1.0
SG A:CYS97 2.3 17.6 1.0
SG A:CYS111 2.3 16.3 1.0
SG A:CYS100 2.4 18.6 1.0
CB A:CYS103 3.3 19.9 1.0
CB A:CYS111 3.4 15.3 1.0
CB A:CYS100 3.4 23.7 1.0
CB A:CYS97 3.5 17.5 1.0
N A:CYS97 3.5 15.6 1.0
CA A:CYS111 3.7 14.2 1.0
N A:CYS100 3.9 23.1 1.0
CA A:CYS97 4.0 16.2 1.0
N A:LEU112 4.0 15.2 1.0
N A:GLY98 4.0 18.9 1.0
CA A:CYS100 4.2 22.4 1.0
N A:CYS103 4.2 15.4 1.0
C A:CYS111 4.2 15.9 1.0
CA A:CYS103 4.3 19.1 1.0
C A:CYS97 4.4 18.5 1.0
N A:LYS99 4.4 21.1 1.0
C A:GLN96 4.6 15.2 1.0
O A:HOH726 4.8 32.8 1.0
CG A:LYS113 4.8 20.3 1.0
N A:LYS113 4.8 16.1 1.0
C A:CYS100 4.9 21.0 1.0
CA A:GLN96 4.9 15.9 1.0
O A:CYS100 4.9 17.9 1.0
CA A:GLY98 5.0 20.2 1.0

Zinc binding site 3 out of 8 in 7jqa

Go back to Zinc Binding Sites List in 7jqa
Zinc binding site 3 out of 8 in the Eqadh-Nadh-4-Bromobenzyl Alcohol, P21


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:21.7
occ:1.00
 NE2 B:HIS67 2.1 18.1 1.0
SG B:CYS174 2.2 18.0 1.0
O1 B:BRB404 2.2 22.7 1.0
SG B:CYS46 2.3 18.5 1.0
CE1 B:HIS67 3.1 16.9 1.0
CD2 B:HIS67 3.1 18.7 1.0
C7 B:BRB404 3.2 23.6 1.0
CB B:CYS46 3.3 21.8 1.0
C5N B:NAI403 3.3 14.9 1.0
CB B:CYS174 3.4 22.2 1.0
OG B:SER48 3.9 17.2 1.0
C6N B:NAI403 3.9 14.1 1.0
C4N B:NAI403 3.9 16.3 1.0
CB B:SER48 4.1 18.5 1.0
ND1 B:HIS67 4.2 17.5 1.0
CG B:HIS67 4.3 17.5 1.0
C1 B:BRB404 4.5 20.7 1.0
NH2 B:ARG369 4.5 22.7 1.0
OE2 B:GLU68 4.6 24.8 1.0
CA B:CYS174 4.7 16.3 1.0
CA B:CYS46 4.7 21.1 1.0
CE2 B:PHE93 4.9 15.3 1.0
N B:SER48 4.9 15.0 1.0

Zinc binding site 4 out of 8 in 7jqa

Go back to Zinc Binding Sites List in 7jqa
Zinc binding site 4 out of 8 in the Eqadh-Nadh-4-Bromobenzyl Alcohol, P21


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:20.5
occ:1.00
 SG B:CYS103 2.3 20.7 1.0
SG B:CYS100 2.3 20.7 1.0
SG B:CYS111 2.3 19.0 1.0
SG B:CYS97 2.4 21.3 1.0
CB B:CYS111 3.3 19.7 1.0
CB B:CYS103 3.4 18.3 1.0
CB B:CYS100 3.4 21.4 1.0
CB B:CYS97 3.5 20.8 1.0
N B:CYS97 3.6 19.4 1.0
CA B:CYS111 3.7 19.9 1.0
N B:CYS100 3.8 27.2 1.0
CA B:CYS97 4.0 20.3 1.0
N B:GLY98 4.0 22.6 1.0
N B:LEU112 4.0 17.7 1.0
CA B:CYS100 4.2 22.8 1.0
N B:CYS103 4.2 18.5 1.0
C B:CYS111 4.3 19.1 1.0
O B:HOH720 4.3 42.3 1.0
C B:CYS97 4.4 21.8 1.0
CA B:CYS103 4.4 18.6 1.0
N B:LYS99 4.6 26.5 1.0
C B:GLN96 4.6 19.6 1.0
C B:CYS100 4.8 22.7 1.0
O B:CYS100 4.9 21.7 1.0
CA B:GLN96 4.9 20.4 1.0
N B:LYS113 5.0 19.1 1.0
CA B:GLY98 5.0 22.6 1.0
N B:CYS111 5.0 16.3 1.0

Zinc binding site 5 out of 8 in 7jqa

Go back to Zinc Binding Sites List in 7jqa
Zinc binding site 5 out of 8 in the Eqadh-Nadh-4-Bromobenzyl Alcohol, P21


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:19.7
occ:1.00
 NE2 C:HIS67 2.1 13.7 1.0
SG C:CYS174 2.2 17.2 1.0
O1 C:BRB404 2.2 19.5 1.0
SG C:CYS46 2.3 17.3 1.0
CE1 C:HIS67 3.0 14.2 1.0
CD2 C:HIS67 3.1 15.2 1.0
CB C:CYS46 3.2 18.0 1.0
C7 C:BRB404 3.3 17.3 1.0
CB C:CYS174 3.3 16.9 1.0
C5N C:NAI403 3.4 16.4 1.0
C4N C:NAI403 4.0 14.9 1.0
OG C:SER48 4.0 15.7 1.0
C6N C:NAI403 4.0 16.5 1.0
CB C:SER48 4.1 14.4 1.0
ND1 C:HIS67 4.2 12.0 1.0
CG C:HIS67 4.2 14.2 1.0
C1 C:BRB404 4.5 21.4 1.0
NH2 C:ARG369 4.6 20.7 1.0
CA C:CYS174 4.6 16.2 1.0
OE2 C:GLU68 4.6 21.7 1.0
CA C:CYS46 4.7 17.1 1.0
N C:GLY175 4.9 15.5 1.0
N C:SER48 4.9 13.2 1.0
C C:CYS174 4.9 14.5 1.0
CE2 C:PHE93 5.0 15.9 1.0

Zinc binding site 6 out of 8 in 7jqa

Go back to Zinc Binding Sites List in 7jqa
Zinc binding site 6 out of 8 in the Eqadh-Nadh-4-Bromobenzyl Alcohol, P21


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn402

b:20.4
occ:1.00
 SG C:CYS103 2.3 19.8 1.0
SG C:CYS100 2.3 22.2 1.0
SG C:CYS97 2.3 20.4 1.0
SG C:CYS111 2.4 19.3 1.0
CB C:CYS103 3.3 17.4 1.0
CB C:CYS111 3.3 19.1 1.0
CB C:CYS100 3.4 22.4 1.0
CB C:CYS97 3.4 21.3 1.0
N C:CYS97 3.6 18.7 1.0
CA C:CYS111 3.7 19.2 1.0
N C:CYS100 3.8 24.1 1.0
CA C:CYS97 3.9 21.1 1.0
N C:LEU112 4.0 18.1 1.0
N C:GLY98 4.0 21.4 1.0
CA C:CYS100 4.2 26.8 1.0
N C:CYS103 4.2 18.9 1.0
C C:CYS111 4.3 17.9 1.0
CA C:CYS103 4.3 19.1 1.0
C C:CYS97 4.3 22.6 1.0
N C:LYS99 4.5 25.9 1.0
O C:HOH747 4.5 40.3 1.0
C C:GLN96 4.6 17.8 1.0
C C:CYS100 4.8 24.3 1.0
N C:LYS113 4.9 17.8 1.0
CA C:GLN96 5.0 17.9 1.0
C C:LYS99 5.0 29.2 1.0
O C:CYS100 5.0 22.3 1.0
CG C:LYS113 5.0 26.6 1.0

Zinc binding site 7 out of 8 in 7jqa

Go back to Zinc Binding Sites List in 7jqa
Zinc binding site 7 out of 8 in the Eqadh-Nadh-4-Bromobenzyl Alcohol, P21


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn401

b:22.8
occ:1.00
 NE2 D:HIS67 2.0 15.6 1.0
O1 D:BRB404 2.2 20.4 1.0
SG D:CYS46 2.2 17.5 1.0
SG D:CYS174 2.2 19.0 1.0
CD2 D:HIS67 3.0 15.1 1.0
CE1 D:HIS67 3.1 15.6 1.0
C7 D:BRB404 3.1 22.0 1.0
CB D:CYS46 3.2 14.9 1.0
C5N D:NAI403 3.3 17.0 1.0
CB D:CYS174 3.4 19.4 1.0
C4N D:NAI403 3.9 15.3 1.0
OG D:SER48 3.9 16.0 1.0
C6N D:NAI403 4.0 16.2 1.0
ND1 D:HIS67 4.1 14.7 1.0
CB D:SER48 4.1 17.3 1.0
CG D:HIS67 4.1 15.6 1.0
C1 D:BRB404 4.4 22.3 1.0
NH2 D:ARG369 4.5 25.0 1.0
CA D:CYS46 4.7 16.2 1.0
OE2 D:GLU68 4.7 23.0 1.0
CA D:CYS174 4.7 18.0 1.0
CE2 D:PHE93 4.8 20.8 1.0

Zinc binding site 8 out of 8 in 7jqa

Go back to Zinc Binding Sites List in 7jqa
Zinc binding site 8 out of 8 in the Eqadh-Nadh-4-Bromobenzyl Alcohol, P21


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Eqadh-Nadh-4-Bromobenzyl Alcohol, P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn402

b:18.7
occ:1.00
 SG D:CYS100 2.3 18.6 1.0
SG D:CYS103 2.3 19.8 1.0
SG D:CYS111 2.3 17.8 1.0
SG D:CYS97 2.4 20.3 1.0
CB D:CYS103 3.3 20.6 1.0
CB D:CYS111 3.3 16.6 1.0
CB D:CYS100 3.3 17.8 1.0
CB D:CYS97 3.5 20.0 1.0
N D:CYS97 3.6 18.2 1.0
CA D:CYS111 3.7 15.8 1.0
N D:CYS100 3.9 20.7 1.0
N D:GLY98 3.9 18.9 1.0
CA D:CYS97 4.0 18.9 1.0
N D:LEU112 4.0 17.1 1.0
CA D:CYS100 4.2 18.9 1.0
N D:CYS103 4.2 16.2 1.0
C D:CYS111 4.3 15.2 1.0
CA D:CYS103 4.3 19.5 1.0
C D:CYS97 4.3 18.4 1.0
N D:LYS99 4.5 22.4 1.0
C D:GLN96 4.6 16.5 1.0
CG D:LYS113 4.9 28.6 1.0
C D:CYS100 4.9 21.6 1.0
CA D:GLN96 4.9 18.0 1.0
N D:LYS113 4.9 17.8 1.0
CA D:GLY98 4.9 21.2 1.0
O D:CYS100 5.0 19.8 1.0

Reference:

B.V.Plapp, S.Ramaswamy. Alternative Binding Modes in Abortive Nadh and Alcohol Complexes of Horse Liver Alcohol Dehydrogenase To Be Published.
Page generated: Fri Aug 22 00:53:31 2025

Last articles

Zn in 7U32
Zn in 7U5C
Zn in 7U5Q
Zn in 7U58
Zn in 7U2S
Zn in 7U59
Zn in 7U3M
Zn in 7TZJ
Zn in 7U22
Zn in 7U1X
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy