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: Tue Oct 29 21:02:24 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy