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Zinc in PDB 4bhg: Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate

Enzymatic activity of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate

All present enzymatic activity of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate:
1.14.11.1;

Protein crystallography data

The structure of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate, PDB code: 4bhg was solved by K.Tars, J.Leitans, A.Kazaks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.91 / 1.85
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 108.180, 108.180, 203.180, 90.00, 90.00, 120.00
R / Rfree (%) 15.129 / 19.014

Zinc Binding Sites:

The binding sites of Zinc atom in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate (pdb code 4bhg). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate, PDB code: 4bhg:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 4bhg

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Zinc binding site 1 out of 4 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:18.1
occ:1.00
 O2 A:OGA400 1.9 22.0 1.0
OD1 A:ASP204 2.1 14.4 1.0
NE2 A:HIS347 2.1 17.9 1.0
O2' A:OGA400 2.2 17.6 1.0
NE2 A:HIS202 2.2 17.3 1.0
C1 A:OGA400 2.7 23.5 1.0
C2 A:OGA400 2.8 21.0 1.0
CE1 A:HIS347 3.0 17.7 1.0
CG A:ASP204 3.1 16.9 1.0
CD2 A:HIS347 3.1 17.8 1.0
CD2 A:HIS202 3.2 16.2 1.0
CE1 A:HIS202 3.2 17.4 1.0
OD2 A:ASP204 3.4 19.5 1.0
O A:HOH2259 3.7 38.2 1.0
OE1 A:GLN215 3.9 29.4 1.0
O1 A:OGA400 4.0 22.8 1.0
ND1 A:HIS347 4.1 17.6 1.0
N1 A:OGA400 4.1 21.7 1.0
CG A:HIS347 4.1 17.3 1.0
ND1 A:HIS202 4.3 16.2 1.0
CG A:HIS202 4.3 16.2 1.0
CB A:ASP204 4.4 16.4 1.0
NE2 A:GLN215 4.4 22.2 1.0
CD A:GLN215 4.6 25.2 1.0
O A:HOH2257 4.7 35.9 1.0
CA A:ASP204 4.8 15.3 1.0
C4 A:OGA400 4.9 22.1 1.0
CD1 A:LEU199 4.9 21.2 1.0
N A:ASP204 4.9 16.2 1.0

Zinc binding site 2 out of 4 in 4bhg

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Zinc binding site 2 out of 4 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn403

b:18.7
occ:1.00
 NE2 A:HIS82 2.1 17.7 1.0
SG A:CYS38 2.3 18.3 1.0
SG A:CYS43 2.3 16.3 1.0
SG A:CYS40 2.3 19.2 1.0
CE1 A:HIS82 3.0 18.5 1.0
CD2 A:HIS82 3.2 17.6 1.0
CB A:CYS38 3.2 17.1 1.0
CB A:CYS43 3.2 18.3 1.0
CB A:CYS40 3.4 19.5 1.0
NH1 A:ARG35 4.1 17.1 1.0
N A:CYS40 4.1 18.7 1.0
ND1 A:HIS82 4.1 17.3 1.0
N A:CYS43 4.2 18.2 1.0
CA A:CYS40 4.2 19.1 1.0
CG A:HIS82 4.3 17.5 1.0
CA A:CYS43 4.3 17.7 1.0
O A:TYR83 4.4 16.8 1.0
CA A:CYS38 4.5 16.5 1.0
C A:CYS38 4.5 17.1 1.0
O A:CYS38 4.5 18.0 1.0
OG A:SER84 4.6 16.8 1.0
O A:HOH2035 4.6 25.6 1.0
NH2 A:ARG35 4.7 17.7 1.0
CZ A:ARG35 4.7 16.4 1.0
C A:CYS40 4.7 19.1 1.0
O A:CYS40 4.7 17.7 1.0
CB A:ASP42 4.8 21.5 1.0

Zinc binding site 3 out of 4 in 4bhg

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Zinc binding site 3 out of 4 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn404

b:41.1
occ:0.80
 SG A:CYS267 2.4 40.2 1.0
CB A:CYS267 3.4 29.3 1.0
CA A:CYS267 3.8 26.5 1.0
O A:TYR266 4.1 23.7 1.0
N A:CYS267 4.8 25.2 1.0
N A:ASP268 4.9 22.5 1.0
OD1 A:ASP268 4.9 25.4 1.0
C A:TYR266 4.9 25.6 1.0
C A:CYS267 4.9 23.2 1.0

Zinc binding site 4 out of 4 in 4bhg

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Zinc binding site 4 out of 4 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn405

b:52.8
occ:0.50
 OD1 A:ASP89 2.0 32.1 0.5
O A:HOH2101 2.2 51.4 1.0
SG A:CYS3 2.3 47.7 1.0
NZ A:LYS72 2.7 47.0 1.0
CG A:ASP89 2.9 29.0 0.5
CB A:CYS3 3.1 38.5 1.0
OD2 A:ASP89 3.1 31.4 0.5
O A:CYS3 3.8 29.2 1.0
O A:HOH2001 3.9 44.4 1.0
CE A:LYS72 4.0 45.5 1.0
C A:CYS3 4.1 30.9 1.0
CB A:ASP89 4.2 24.7 0.5
CA A:CYS3 4.2 34.6 1.0
CB A:ASP89 4.3 26.3 0.5
CA A:ASP89 4.7 24.6 0.5
CA A:ASP89 4.7 23.9 0.5
O A:HOH2100 4.9 34.6 1.0
N A:ASP89 4.9 22.4 1.0

Reference:

K.Tars, J.Leitans, A.Kazaks. Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1- Dimethylhydrazin-1-Ium-2-Yl)Propanoate To Be Published.
Page generated: Sat Oct 26 19:46:35 2024

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