Atomistry » Zinc » PDB 3pfo-3pt6 » 3pii
Atomistry »
  Zinc »
    PDB 3pfo-3pt6 »
      3pii »

Zinc in PDB 3pii: Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide

Enzymatic activity of Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide

All present enzymatic activity of Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide:
1.1.1.1;

Protein crystallography data

The structure of Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide, PDB code: 3pii was solved by M.Dong, B.J.Bahnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.61 / 2.90
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 145.650, 145.650, 135.518, 90.00, 90.00, 120.00
R / Rfree (%) 20.6 / 28.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide (pdb code 3pii). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide, PDB code: 3pii:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 3pii

Go back to Zinc Binding Sites List in 3pii
Zinc binding site 1 out of 8 in the Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide


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 Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn340

b:50.8
occ:1.00
SG A:CYS38 2.0 40.9 1.0
NE2 A:HIS61 2.0 32.1 1.0
SG A:CYS148 2.5 33.3 1.0
OE2 A:GLU62 2.5 34.5 1.0
CD2 A:HIS61 2.9 32.7 1.0
CE1 A:HIS61 3.1 32.8 1.0
CB A:CYS148 3.3 28.8 1.0
CB A:CYS38 3.3 41.5 1.0
CD A:GLU62 3.4 35.3 1.0
NH2 A:ARG331 3.6 51.4 1.0
CG A:GLU62 3.7 35.2 1.0
OA A:BMD600 3.8 28.5 1.0
NA A:BMD600 3.8 29.1 1.0
CG A:HIS61 4.1 33.4 1.0
ND1 A:HIS61 4.1 33.2 1.0
CA A:BMD600 4.2 28.9 1.0
CA A:CYS38 4.4 41.2 1.0
N A:CYS38 4.5 39.6 1.0
OE1 A:GLU62 4.6 34.1 1.0
CB A:THR40 4.6 44.0 1.0
CZ A:ARG331 4.6 51.0 1.0
CA A:CYS148 4.8 28.1 1.0
OD2 A:ASP41 4.8 46.2 1.0

Zinc binding site 2 out of 8 in 3pii

Go back to Zinc Binding Sites List in 3pii
Zinc binding site 2 out of 8 in the Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn341

b:32.0
occ:1.00
SG A:CYS92 2.2 33.0 1.0
SG A:CYS98 2.2 35.4 1.0
SG A:CYS106 2.3 32.8 1.0
SG A:CYS95 2.3 33.0 1.0
CB A:CYS106 3.1 35.2 1.0
CB A:CYS95 3.3 35.2 1.0
CB A:CYS98 3.5 36.5 1.0
CB A:CYS92 3.5 33.6 1.0
N A:CYS92 3.6 33.4 1.0
N A:CYS95 3.8 36.3 1.0
N A:GLY93 3.9 34.9 1.0
CA A:CYS92 4.0 33.7 1.0
CA A:CYS106 4.0 35.6 1.0
N A:CYS98 4.0 36.7 1.0
CA A:CYS95 4.1 35.5 1.0
C A:CYS92 4.3 34.4 1.0
CA A:CYS98 4.3 36.9 1.0
N A:HIS94 4.4 37.2 1.0
CB A:ALA91 4.6 33.3 1.0
C A:CYS95 4.6 35.9 1.0
C A:ALA91 4.7 33.3 1.0
O A:CYS95 4.7 35.6 1.0
CA A:GLY93 4.8 35.8 1.0
C A:CYS106 4.8 37.1 1.0
CB A:TYR97 4.9 35.9 1.0
C A:HIS94 5.0 36.9 1.0

Zinc binding site 3 out of 8 in 3pii

Go back to Zinc Binding Sites List in 3pii
Zinc binding site 3 out of 8 in the Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn340

b:48.4
occ:1.00
NE2 C:HIS61 2.0 32.0 1.0
SG C:CYS38 2.1 42.1 1.0
SG C:CYS148 2.1 33.4 1.0
OE2 C:GLU62 2.7 34.5 1.0
CE1 C:HIS61 2.9 33.0 1.0
CD2 C:HIS61 3.1 33.3 1.0
CB C:CYS38 3.1 41.5 1.0
CB C:CYS148 3.2 29.1 1.0
NH2 C:ARG331 3.6 51.8 1.0
CD C:GLU62 3.6 35.1 1.0
CG C:GLU62 3.7 35.5 1.0
ND1 C:HIS61 4.0 33.3 1.0
OA C:BMD700 4.0 29.7 1.0
CG C:HIS61 4.1 33.6 1.0
NA C:BMD700 4.2 30.3 1.0
CA C:CYS38 4.2 41.2 1.0
N C:CYS38 4.3 39.5 1.0
CA C:BMD700 4.5 30.1 1.0
CZ C:ARG331 4.5 51.8 1.0
CA C:CYS148 4.6 28.6 1.0
OD2 C:ASP41 4.7 46.1 1.0
OE1 C:GLU62 4.7 33.4 1.0
CB C:THR40 4.8 43.9 1.0
C C:CYS38 4.9 42.2 1.0
NH1 C:ARG331 5.0 51.0 1.0
C C:VAL37 5.0 38.2 1.0

Zinc binding site 4 out of 8 in 3pii

Go back to Zinc Binding Sites List in 3pii
Zinc binding site 4 out of 8 in the Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn341

b:32.9
occ:1.00
SG C:CYS92 2.2 32.4 1.0
SG C:CYS106 2.2 33.1 1.0
SG C:CYS95 2.2 33.4 1.0
SG C:CYS98 2.3 34.3 1.0
CB C:CYS106 3.1 35.3 1.0
CB C:CYS95 3.3 35.8 1.0
CB C:CYS92 3.5 33.4 1.0
CB C:CYS98 3.6 36.3 1.0
N C:CYS92 3.7 33.4 1.0
N C:CYS95 3.8 36.6 1.0
N C:GLY93 4.0 34.8 1.0
CA C:CYS92 4.0 33.6 1.0
CA C:CYS106 4.0 35.7 1.0
CA C:CYS95 4.1 35.7 1.0
N C:CYS98 4.1 36.7 1.0
N C:HIS94 4.3 37.0 1.0
CA C:CYS98 4.4 36.8 1.0
C C:CYS92 4.4 34.3 1.0
C C:CYS95 4.7 36.2 1.0
C C:CYS106 4.7 36.9 1.0
C C:ALA91 4.8 33.2 1.0
CB C:ALA91 4.8 32.9 1.0
O C:CYS95 4.8 36.0 1.0
CA C:GLY93 4.9 35.4 1.0
C C:HIS94 4.9 37.2 1.0
CB C:TYR97 4.9 35.9 1.0

Zinc binding site 5 out of 8 in 3pii

Go back to Zinc Binding Sites List in 3pii
Zinc binding site 5 out of 8 in the Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn340

b:39.8
occ:1.00
NE2 B:HIS61 2.2 31.3 1.0
SG B:CYS148 2.4 35.6 1.0
SG B:CYS38 2.4 44.2 1.0
OE2 B:GLU62 2.8 34.9 1.0
CE1 B:HIS61 3.0 32.9 1.0
CD2 B:HIS61 3.2 32.4 1.0
CB B:CYS148 3.2 28.4 1.0
CB B:CYS38 3.3 41.6 1.0
OA B:BMD500 3.3 40.2 1.0
CD B:GLU62 3.7 35.0 1.0
CG B:GLU62 4.1 34.5 1.0
ND1 B:HIS61 4.1 32.9 1.0
NH2 B:ARG331 4.1 53.4 1.0
CG B:HIS61 4.2 33.4 1.0
CA B:BMD500 4.3 39.6 1.0
CA B:CYS38 4.5 41.4 1.0
N B:CYS38 4.5 39.6 1.0
CA B:CYS148 4.7 27.8 1.0
OE1 B:GLU62 4.7 33.5 1.0
CB B:THR40 4.7 43.5 1.0
NH1 B:ARG331 4.8 52.6 1.0
CZ B:ARG331 4.8 53.2 1.0
NA B:BMD500 4.8 38.9 1.0

Zinc binding site 6 out of 8 in 3pii

Go back to Zinc Binding Sites List in 3pii
Zinc binding site 6 out of 8 in the Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn341

b:30.5
occ:1.00
SG B:CYS106 2.1 34.4 1.0
SG B:CYS92 2.2 36.6 1.0
SG B:CYS98 2.3 33.0 1.0
SG B:CYS95 2.4 31.4 1.0
CB B:CYS106 3.2 35.4 1.0
CB B:CYS95 3.3 36.1 1.0
CB B:CYS98 3.5 35.7 1.0
CB B:CYS92 3.6 35.1 1.0
N B:CYS92 3.6 34.8 1.0
N B:GLY93 3.6 36.1 1.0
N B:CYS95 3.9 37.0 1.0
CA B:CYS92 4.0 35.3 1.0
CA B:CYS106 4.0 36.1 1.0
CA B:CYS95 4.1 36.4 1.0
C B:CYS92 4.3 35.9 1.0
N B:HIS94 4.3 37.6 1.0
N B:CYS98 4.3 36.2 1.0
CA B:CYS98 4.4 36.0 1.0
CB B:ALA91 4.5 33.2 1.0
C B:ALA91 4.6 34.5 1.0
CA B:GLY93 4.6 36.4 1.0
O B:CYS95 4.7 37.4 1.0
C B:CYS95 4.7 37.3 1.0
C B:CYS106 4.9 37.5 1.0
C B:HIS94 4.9 37.2 1.0
CA B:ALA91 4.9 33.6 1.0
C B:GLY93 4.9 37.1 1.0

Zinc binding site 7 out of 8 in 3pii

Go back to Zinc Binding Sites List in 3pii
Zinc binding site 7 out of 8 in the Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn340

b:43.1
occ:1.00
SG D:CYS38 2.2 42.6 1.0
NE2 D:HIS61 2.2 31.3 1.0
SG D:CYS148 2.4 35.8 1.0
OE2 D:GLU62 2.8 34.8 1.0
CE1 D:HIS61 3.0 33.0 1.0
OA D:BMD400 3.1 37.2 1.0
CB D:CYS148 3.1 28.6 1.0
CD2 D:HIS61 3.1 31.7 1.0
CB D:CYS38 3.4 41.3 1.0
CD D:GLU62 3.8 34.6 1.0
NH2 D:ARG331 4.0 52.8 1.0
CG D:GLU62 4.1 34.2 1.0
ND1 D:HIS61 4.1 32.5 1.0
CG D:HIS61 4.2 33.1 1.0
CA D:BMD400 4.2 36.6 1.0
CA D:CYS38 4.5 41.2 1.0
N D:CYS38 4.5 39.8 1.0
CA D:CYS148 4.6 28.1 1.0
NA D:BMD400 4.7 36.1 1.0
CB D:THR40 4.8 43.8 1.0
OE1 D:GLU62 4.8 32.8 1.0
CZ D:ARG331 4.8 52.6 1.0
OD2 D:ASP41 5.0 47.5 1.0

Zinc binding site 8 out of 8 in 3pii

Go back to Zinc Binding Sites List in 3pii
Zinc binding site 8 out of 8 in the Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase with Substrate Analogue Butyramide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn341

b:31.0
occ:1.00
SG D:CYS106 2.1 33.9 1.0
SG D:CYS92 2.3 35.2 1.0
SG D:CYS95 2.4 31.6 1.0
SG D:CYS98 2.4 33.2 1.0
CB D:CYS106 3.2 35.3 1.0
CB D:CYS95 3.3 36.2 1.0
CB D:CYS98 3.5 36.3 1.0
CB D:CYS92 3.6 34.7 1.0
N D:CYS92 3.6 34.4 1.0
N D:GLY93 3.7 36.1 1.0
N D:CYS95 3.8 37.0 1.0
CA D:CYS106 3.9 36.0 1.0
CA D:CYS92 4.0 34.8 1.0
CA D:CYS95 4.1 36.2 1.0
N D:HIS94 4.2 37.4 1.0
C D:CYS92 4.3 35.7 1.0
N D:CYS98 4.3 36.8 1.0
CA D:CYS98 4.5 36.5 1.0
CB D:ALA91 4.5 32.7 1.0
CA D:GLY93 4.6 36.2 1.0
C D:ALA91 4.6 34.1 1.0
C D:CYS106 4.8 37.3 1.0
ND1 D:HIS108 4.8 47.4 1.0
C D:CYS95 4.8 36.9 1.0
N D:GLU107 4.9 38.7 1.0
C D:HIS94 4.9 37.3 1.0
C D:GLY93 4.9 36.9 1.0
O D:CYS95 4.9 36.9 1.0
CA D:ALA91 4.9 33.2 1.0

Reference:

M.Dong, B.J.Bahnson. Crystal Structure of Mutant of Ht- Alcohol Dehydrogenase To Be Published.
Page generated: Wed Dec 16 04:43:10 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy