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: Wed Dec 16 13:47:29 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy