Atomistry » Zinc » PDB 4b3s-4bin » 4bgk
Atomistry »
  Zinc »
    PDB 4b3s-4bin »
      4bgk »

Zinc in PDB 4bgk: Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with (3-(Trimethylammonio)Propyl) Phosphinate

Enzymatic activity of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with (3-(Trimethylammonio)Propyl) Phosphinate

All present enzymatic activity of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with (3-(Trimethylammonio)Propyl) Phosphinate:
1.14.11.1;

Protein crystallography data

The structure of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with (3-(Trimethylammonio)Propyl) Phosphinate, PDB code: 4bgk 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) 42.44 / 2.18
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 107.720, 107.720, 204.710, 90.00, 90.00, 120.00
R / Rfree (%) 14.554 / 19.365

Zinc Binding Sites:

The binding sites of Zinc atom in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with (3-(Trimethylammonio)Propyl) Phosphinate (pdb code 4bgk). 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-(Trimethylammonio)Propyl) Phosphinate, PDB code: 4bgk:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4bgk

Go back to Zinc Binding Sites List in 4bgk
Zinc binding site 1 out of 2 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with (3-(Trimethylammonio)Propyl) Phosphinate


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-(Trimethylammonio)Propyl) Phosphinate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:16.1
occ:1.00
O2 A:OGA400 1.9 25.0 1.0
OD1 A:ASP204 2.1 14.3 1.0
NE2 A:HIS202 2.2 13.7 1.0
NE2 A:HIS347 2.2 14.5 1.0
O2' A:OGA400 2.2 20.8 1.0
C1 A:OGA400 2.8 24.6 1.0
C2 A:OGA400 2.9 22.7 1.0
CE1 A:HIS347 3.0 14.3 1.0
CE1 A:HIS202 3.0 13.3 1.0
CG A:ASP204 3.0 14.0 1.0
CD2 A:HIS347 3.2 14.0 1.0
CD2 A:HIS202 3.2 13.6 1.0
OD2 A:ASP204 3.3 15.2 1.0
O1 A:OGA400 4.0 24.9 1.0
OE1 A:GLN215 4.0 17.6 1.0
ND1 A:HIS347 4.1 13.8 1.0
ND1 A:HIS202 4.1 13.2 1.0
N1 A:OGA400 4.2 21.3 1.0
CG A:HIS347 4.2 13.8 1.0
CG A:HIS202 4.3 12.8 1.0
CB A:ASP204 4.4 13.8 1.0
NE2 A:GLN215 4.5 16.2 1.0
CD A:GLN215 4.7 16.9 1.0
O A:HOH2236 4.7 34.6 1.0
CA A:ASP204 4.8 13.3 1.0
C4 A:OGA400 4.9 19.6 1.0
N A:ASP204 5.0 13.0 1.0

Zinc binding site 2 out of 2 in 4bgk

Go back to Zinc Binding Sites List in 4bgk
Zinc binding site 2 out of 2 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with (3-(Trimethylammonio)Propyl) Phosphinate


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-(Trimethylammonio)Propyl) Phosphinate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn403

b:14.7
occ:1.00
NE2 A:HIS82 2.1 13.8 1.0
SG A:CYS38 2.3 16.7 1.0
SG A:CYS40 2.3 17.9 1.0
SG A:CYS43 2.3 14.3 1.0
CE1 A:HIS82 2.8 14.3 1.0
CB A:CYS38 3.2 16.6 1.0
CB A:CYS43 3.2 14.8 1.0
CD2 A:HIS82 3.3 14.4 1.0
CB A:CYS40 3.4 17.1 1.0
ND1 A:HIS82 4.1 14.0 1.0
NH1 A:ARG35 4.1 14.2 1.0
N A:CYS43 4.1 15.7 1.0
N A:CYS40 4.1 15.9 1.0
CA A:CYS40 4.2 15.7 1.0
CA A:CYS43 4.3 14.9 1.0
CG A:HIS82 4.3 13.9 1.0
O A:TYR83 4.3 15.6 1.0
CA A:CYS38 4.5 16.0 1.0
OG A:SER84 4.5 14.0 1.0
C A:CYS38 4.6 15.7 1.0
O A:CYS38 4.6 17.0 1.0
CZ A:ARG35 4.7 13.6 1.0
C A:CYS40 4.7 16.1 1.0
O A:CYS40 4.7 15.0 1.0
NH2 A:ARG35 4.7 14.1 1.0
CB A:ASP42 4.7 17.8 1.0
O A:HOH2029 4.8 26.8 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: Wed Dec 16 05:05:14 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