Atomistry » Zinc » PDB 4b52-4bj9 » 4bhi
Atomistry »
  Zinc »
    PDB 4b52-4bj9 »
      4bhi »

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

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

All present enzymatic activity of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1,1,1,2-Tetramethylhydrazin-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-(1,1,1,2-Tetramethylhydrazin-1-Ium-2-Yl)Propanoate, PDB code: 4bhi 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) 28.96 / 2.15
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 107.240, 107.240, 205.040, 90.00, 90.00, 120.00
R / Rfree (%) 16.115 / 22.492

Zinc Binding Sites:

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

Zinc binding site 1 out of 2 in 4bhi

Go back to Zinc Binding Sites List in 4bhi
Zinc binding site 1 out of 2 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1,1,1,2-Tetramethylhydrazin-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-(1,1,1,2-Tetramethylhydrazin-1-Ium-2-Yl)Propanoate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:21.9
occ:1.00
 O1 A:OGA400 2.1 29.5 1.0
OD1 A:ASP204 2.1 18.6 1.0
NE2 A:HIS202 2.2 19.4 1.0
NE2 A:HIS347 2.2 20.5 1.0
O2' A:OGA400 2.2 28.2 1.0
C1 A:OGA400 2.7 33.9 1.0
C2 A:OGA400 2.8 31.1 1.0
CE1 A:HIS347 3.0 20.6 1.0
CE1 A:HIS202 3.1 19.9 1.0
CD2 A:HIS347 3.2 20.1 1.0
CG A:ASP204 3.2 17.6 1.0
CD2 A:HIS202 3.2 20.4 1.0
OD2 A:ASP204 3.5 18.6 1.0
O2 A:OGA400 3.9 35.2 1.0
N1 A:OGA400 4.0 28.4 1.0
ND1 A:HIS347 4.1 21.2 1.0
CG A:HIS347 4.2 21.0 1.0
ND1 A:HIS202 4.2 19.7 1.0
O A:HOH2268 4.3 44.5 1.0
CG A:HIS202 4.3 18.7 1.0
NE2 A:GLN215 4.4 25.5 1.0
OE1 A:GLN215 4.4 29.8 1.0
C3 A:RUJ401 4.5 26.7 1.0
CB A:ASP204 4.5 17.7 1.0
CD A:GLN215 4.8 27.4 1.0
C4 A:OGA400 4.8 28.1 1.0
C6 A:RUJ401 4.9 26.3 1.0
CA A:ASP204 4.9 17.5 1.0
N A:ASP204 4.9 19.1 1.0
CD1 A:LEU199 5.0 23.4 1.0

Zinc binding site 2 out of 2 in 4bhi

Go back to Zinc Binding Sites List in 4bhi
Zinc binding site 2 out of 2 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1,1,1,2-Tetramethylhydrazin-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-(1,1,1,2-Tetramethylhydrazin-1-Ium-2-Yl)Propanoate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn403

b:25.9
occ:1.00
 NE2 A:HIS82 2.2 21.6 1.0
SG A:CYS38 2.3 22.9 1.0
SG A:CYS40 2.4 28.6 1.0
SG A:CYS43 2.4 22.5 1.0
CE1 A:HIS82 2.9 21.4 1.0
CB A:CYS38 3.2 23.0 1.0
CB A:CYS40 3.3 26.9 1.0
CB A:CYS43 3.3 23.3 1.0
CD2 A:HIS82 3.3 21.9 1.0
N A:CYS40 4.1 24.9 1.0
ND1 A:HIS82 4.1 21.1 1.0
NH1 A:ARG35 4.1 21.0 1.0
N A:CYS43 4.1 23.5 1.0
CA A:CYS40 4.2 24.9 1.0
CG A:HIS82 4.4 21.3 1.0
O A:TYR83 4.4 26.5 1.0
CA A:CYS43 4.4 23.9 1.0
OG A:SER84 4.4 22.3 1.0
CA A:CYS38 4.5 22.6 1.0
C A:CYS38 4.5 23.6 1.0
O A:CYS38 4.6 24.8 1.0
C A:CYS40 4.6 26.6 1.0
O A:CYS40 4.6 24.3 1.0
CZ A:ARG35 4.7 20.5 1.0
NH2 A:ARG35 4.7 21.3 1.0
CB A:ASP42 4.7 26.8 1.0
O A:HOH2022 4.7 38.9 1.0

Reference:

K.Tars, J.Leitans, A.Kazaks, D.Zelencova, E.Liepinsh, J.Kuka, M.Makrecka, D.Lola, V.Andrianovs, D.Gustina, S.Grinberga, E.Liepinsh, I.Kalvinsh, M.Dambrova, E.Loza, O.Pugovics. Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem. V. 57 2213 2014.
ISSN: ISSN 0022-2623
PubMed: 24571165
DOI: 10.1021/JM401603E
Page generated: Sat Oct 26 19:47:30 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy