Atomistry » Iron » PDB 6ayc-6bps » 6b6g
Atomistry »
  Iron »
    PDB 6ayc-6bps »
      6b6g »

Iron in PDB 6b6g: Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction

Enzymatic activity of Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction

All present enzymatic activity of Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction:
2.6.1.19; 2.6.1.22;

Protein crystallography data

The structure of Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction, PDB code: 6b6g was solved by R.Mascarenhas, J.I.Juncosa, K.Takaya, L.V.Le, M.J.Moschitto, R.B.Silverman, D.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.71 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 69.633, 228.022, 70.816, 90.00, 109.14, 90.00
R / Rfree (%) 16.8 / 21.3

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction (pdb code 6b6g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction, PDB code: 6b6g:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 6b6g

Go back to Iron Binding Sites List in 6b6g
Iron binding site 1 out of 4 in the Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:25.4
occ:1.00
FE1 A:FES501 0.0 25.4 1.0
S1 A:FES501 2.2 26.2 1.0
S2 A:FES501 2.2 24.5 1.0
SG A:CYS135 2.4 22.3 1.0
SG A:CYS138 2.5 25.9 1.0
FE2 A:FES501 2.8 26.0 1.0
CB A:CYS138 3.2 18.8 1.0
CB A:CYS135 3.4 23.9 1.0
N A:CYS135 3.7 19.7 1.0
N A:CYS138 3.8 21.7 1.0
CA A:CYS135 4.0 25.8 1.0
CA A:CYS138 4.1 21.6 1.0
C A:ALA134 4.4 19.9 1.0
CB A:ALA134 4.5 21.3 1.0
C A:CYS135 4.5 21.9 1.0
SG B:CYS135 4.5 26.1 1.0
O A:CYS135 4.6 26.1 1.0
O B:HOH773 4.7 48.2 1.0
CA A:ALA134 4.8 20.1 1.0
N A:ALA134 4.8 26.0 1.0
SG B:CYS138 4.9 23.0 1.0
C A:SER137 4.9 20.3 0.8
C A:SER137 4.9 20.5 0.1
O A:HOH812 5.0 32.5 1.0
CB A:SER137 5.0 22.3 0.1

Iron binding site 2 out of 4 in 6b6g

Go back to Iron Binding Sites List in 6b6g
Iron binding site 2 out of 4 in the Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:26.0
occ:1.00
FE2 A:FES501 0.0 26.0 1.0
S2 A:FES501 2.2 24.5 1.0
S1 A:FES501 2.2 26.2 1.0
SG B:CYS135 2.4 26.1 1.0
SG B:CYS138 2.5 23.0 1.0
FE1 A:FES501 2.8 25.4 1.0
CB B:CYS138 3.2 24.1 1.0
CB B:CYS135 3.3 20.9 1.0
N B:CYS135 3.7 19.1 1.0
N B:CYS138 3.8 23.1 1.0
CA B:CYS135 4.0 27.2 1.0
CA B:CYS138 4.1 28.3 1.0
C B:ALA134 4.4 24.7 1.0
C B:CYS135 4.5 29.6 1.0
SG A:CYS135 4.5 22.3 1.0
O B:CYS135 4.5 23.8 1.0
CB B:ALA134 4.5 25.4 1.0
CA B:ALA134 4.8 25.4 1.0
N B:ALA134 4.8 24.1 1.0
SG A:CYS138 4.9 25.9 1.0
C B:SER137 4.9 21.8 1.0
O B:HOH767 4.9 28.2 1.0

Iron binding site 3 out of 4 in 6b6g

Go back to Iron Binding Sites List in 6b6g
Iron binding site 3 out of 4 in the Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:19.3
occ:1.00
FE1 C:FES501 0.0 19.3 1.0
S1 C:FES501 2.2 23.0 1.0
S2 C:FES501 2.2 19.0 1.0
SG D:CYS135 2.4 19.7 1.0
SG D:CYS138 2.4 18.7 1.0
FE2 C:FES501 2.8 20.2 1.0
CB D:CYS138 3.3 23.0 1.0
CB D:CYS135 3.4 14.3 1.0
N D:CYS135 3.8 13.2 1.0
N D:CYS138 3.8 16.2 1.0
CA D:CYS135 4.1 17.5 1.0
CA D:CYS138 4.2 17.2 1.0
C D:ALA134 4.4 15.7 1.0
SG C:CYS135 4.5 19.5 1.0
C D:CYS135 4.5 21.6 1.0
O D:CYS135 4.6 14.5 1.0
CB D:ALA134 4.6 15.2 1.0
SG C:CYS138 4.7 19.0 1.0
O D:HOH654 4.8 32.4 1.0
O D:HOH838 4.8 28.8 1.0
CA D:ALA134 4.9 17.8 1.0
N D:ALA134 4.9 16.5 1.0
C D:SER137 4.9 15.0 1.0

Iron binding site 4 out of 4 in 6b6g

Go back to Iron Binding Sites List in 6b6g
Iron binding site 4 out of 4 in the Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Gaba Aminotransferase Bound to (S)-3-Amino-4- (Difluoromethylenyl)Cyclopent-1-Ene-1-Carboxylic Acid, An Potent Inactivatorfor the Treatment of Addiction within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:20.2
occ:1.00
FE2 C:FES501 0.0 20.2 1.0
S2 C:FES501 2.2 19.0 1.0
S1 C:FES501 2.2 23.0 1.0
SG C:CYS135 2.4 19.5 1.0
SG C:CYS138 2.5 19.0 1.0
FE1 C:FES501 2.8 19.3 1.0
CB C:CYS138 3.3 15.7 1.0
CB C:CYS135 3.4 17.8 1.0
N C:CYS135 3.7 13.2 1.0
N C:CYS138 3.8 16.9 1.0
CA C:CYS135 4.0 15.5 1.0
CA C:CYS138 4.1 22.6 1.0
C C:ALA134 4.4 14.5 1.0
C C:CYS135 4.5 16.8 1.0
SG D:CYS135 4.5 19.7 1.0
O C:CYS135 4.5 16.1 1.0
CB C:ALA134 4.5 15.2 1.0
SG D:CYS138 4.7 18.7 1.0
O C:HOH826 4.8 26.5 1.0
CA C:ALA134 4.8 18.5 1.0
N C:ALA134 4.8 15.0 1.0
C C:SER137 4.9 17.9 0.8
C C:SER137 4.9 18.0 0.2
CB C:SER137 5.0 19.2 0.2
O C:HOH627 5.0 37.6 1.0
CB C:SER137 5.0 19.1 0.8

Reference:

J.I.Juncosa, K.Takaya, H.V.Le, M.J.Moschitto, P.M.Weerawarna, R.Mascarenhas, D.Liu, S.L.Dewey, R.B.Silverman. Design and Mechanism of (S)-3-Amino-4-(Difluoromethylenyl) Cyclopent-1-Ene-1-Carboxylic Acid, A Highly Potent Gamma-Aminobutyric Acid Aminotransferase Inactivator For the Treatment of Addiction. J. Am. Chem. Soc. V. 140 2151 2018.
ISSN: ESSN 1520-5126
PubMed: 29381352
DOI: 10.1021/JACS.7B10965
Page generated: Sun Dec 13 16:21:03 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