Atomistry » Zinc » PDB 4b3s-4bin » 4bg1
Atomistry »
  Zinc »
    PDB 4b3s-4bin »
      4bg1 »

Zinc in PDB 4bg1: Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride

Enzymatic activity of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride

All present enzymatic activity of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride:
1.14.11.1;

Protein crystallography data

The structure of Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride, PDB code: 4bg1 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) 26.92 / 1.89
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 107.630, 107.630, 205.530, 90.00, 90.00, 120.00
R / Rfree (%) 15.597 / 19.906

Zinc Binding Sites:

The binding sites of Zinc atom in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride (pdb code 4bg1). 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 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride, PDB code: 4bg1:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 4bg1

Go back to Zinc Binding Sites List in 4bg1
Zinc binding site 1 out of 4 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride


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 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn902

b:18.6
occ:1.00
 O2 A:OGA900 2.0 20.9 1.0
OD1 A:ASP204 2.1 18.0 1.0
NE2 A:HIS202 2.1 18.7 1.0
NE2 A:HIS347 2.2 17.3 1.0
O2' A:OGA900 2.2 19.8 1.0
C1 A:OGA900 2.8 22.6 1.0
C2 A:OGA900 2.8 20.9 1.0
CE1 A:HIS202 3.0 18.4 1.0
CG A:ASP204 3.1 18.3 1.0
CE1 A:HIS347 3.1 18.4 1.0
CD2 A:HIS202 3.1 16.5 1.0
CD2 A:HIS347 3.1 17.4 1.0
OD2 A:ASP204 3.4 18.6 1.0
OE1 A:GLN215 4.0 24.4 1.0
O1 A:OGA900 4.0 21.8 1.0
N1 A:OGA900 4.1 21.4 1.0
ND1 A:HIS347 4.1 16.5 1.0
ND1 A:HIS202 4.1 17.2 1.0
CG A:HIS202 4.2 16.6 1.0
CG A:HIS347 4.2 16.3 1.0
O A:HOH2257 4.4 39.9 1.0
CB A:ASP204 4.4 17.3 1.0
NE2 A:GLN215 4.5 20.7 1.0
CD A:GLN215 4.7 21.5 1.0
CAL A:IVL901 4.8 26.8 1.0
CA A:ASP204 4.9 17.1 1.0
C4 A:OGA900 4.9 21.3 1.0
N A:ASP204 5.0 17.1 1.0

Zinc binding site 2 out of 4 in 4bg1

Go back to Zinc Binding Sites List in 4bg1
Zinc binding site 2 out of 4 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride


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 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn903

b:16.9
occ:1.00
 NE2 A:HIS82 2.2 18.3 1.0
SG A:CYS40 2.3 19.6 1.0
SG A:CYS38 2.3 18.8 1.0
SG A:CYS43 2.4 17.3 1.0
CE1 A:HIS82 3.0 18.7 1.0
CD2 A:HIS82 3.2 18.0 1.0
CB A:CYS38 3.3 18.8 1.0
CB A:CYS43 3.3 18.9 1.0
CB A:CYS40 3.4 20.3 1.0
O A:HOH2053 3.9 43.6 1.0
NH1 A:ARG35 4.0 16.0 1.0
N A:CYS40 4.1 19.2 1.0
N A:CYS43 4.2 19.3 1.0
ND1 A:HIS82 4.2 19.1 1.0
CA A:CYS40 4.2 20.0 1.0
CG A:HIS82 4.3 18.4 1.0
CA A:CYS43 4.4 19.2 1.0
O A:TYR83 4.4 21.2 1.0
CA A:CYS38 4.5 18.2 1.0
OG A:SER84 4.5 18.0 1.0
C A:CYS38 4.6 17.5 1.0
O A:CYS38 4.6 17.9 1.0
O A:CYS40 4.6 19.7 1.0
C A:CYS40 4.6 20.7 1.0
O A:HOH2040 4.7 27.7 1.0
CZ A:ARG35 4.7 15.2 1.0
CB A:ASP42 4.7 21.1 1.0
NH2 A:ARG35 4.7 15.8 1.0
O A:HOH2054 4.9 49.8 1.0

Zinc binding site 3 out of 4 in 4bg1

Go back to Zinc Binding Sites List in 4bg1
Zinc binding site 3 out of 4 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride


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 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn905

b:33.1
occ:0.75
 SG A:CYS267 2.3 37.5 1.0
CB A:CYS267 3.3 29.8 1.0
CA A:CYS267 3.8 27.7 1.0
O A:HOH2320 4.0 54.3 1.0
O A:TYR266 4.2 23.6 1.0
N A:CYS267 4.8 26.0 1.0
N A:ASP268 4.9 23.7 1.0
C A:TYR266 4.9 27.6 1.0
C A:CYS267 4.9 24.5 1.0
OD1 A:ASP268 5.0 25.3 1.0

Zinc binding site 4 out of 4 in 4bg1

Go back to Zinc Binding Sites List in 4bg1
Zinc binding site 4 out of 4 in the Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride


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 1-(3-Carboxypropyl)-1- Methylpyrrolidin-1-Ium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn906

b:47.9
occ:0.50
 OD1 A:ASP89 2.0 28.1 0.5
O A:HOH2105 2.2 42.8 1.0
SG A:CYS3 2.3 53.2 1.0
NZ A:LYS72 2.6 39.6 1.0
CG A:ASP89 2.7 25.7 0.5
OD2 A:ASP89 2.8 29.6 0.5
CB A:CYS3 3.2 42.1 1.0
O A:CYS3 3.5 32.8 1.0
CE A:LYS72 3.8 41.2 1.0
C A:CYS3 4.0 34.2 1.0
CB A:ASP89 4.2 24.3 0.5
CA A:CYS3 4.2 38.5 1.0
CB A:ASP89 4.2 24.4 0.5
CA A:ASP89 4.7 23.1 0.5
CA A:ASP89 4.7 23.2 0.5
N A:ASP89 4.9 21.4 1.0
N A:CYS3 5.0 39.3 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 19:43:35 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy