Atomistry » Iron » PDB 4xry-4yoq » 4y0h
Atomistry »
  Iron »
    PDB 4xry-4yoq »
      4y0h »

Iron in PDB 4y0h: Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115)

Enzymatic activity of Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115)

All present enzymatic activity of Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115):
2.6.1.19; 2.6.1.22;

Protein crystallography data

The structure of Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115), PDB code: 4y0h was solved by W.Rui, S.Ruslan, L.Hyunbeom, H.D.Emma, I.J.Jose, K.Neil, B.S.Richard, L.Dali, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.96 / 1.63
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 69.496, 226.924, 71.436, 90.00, 108.67, 90.00
R / Rfree (%) 17.6 / 20.3

Iron Binding Sites:

The binding sites of Iron atom in the Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115) (pdb code 4y0h). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115), PDB code: 4y0h:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4y0h

Go back to Iron Binding Sites List in 4y0h
Iron binding site 1 out of 4 in the Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:13.1
occ:1.00
 FE1 A:FES501 0.0 13.1 1.0
S1 A:FES501 2.2 13.7 1.0
S2 A:FES501 2.2 13.6 1.0
SG A:CYS135 2.3 14.3 1.0
SG A:CYS138 2.4 11.9 1.0
FE2 A:FES501 2.7 13.1 1.0
CB A:CYS138 3.2 12.8 1.0
CB A:CYS135 3.3 15.1 1.0
N A:CYS135 3.7 12.4 1.0
N A:CYS138 3.8 11.4 1.0
CA A:CYS135 4.0 13.6 1.0
CA A:CYS138 4.1 12.0 1.0
SG B:CYS135 4.4 14.0 1.0
C A:ALA134 4.4 11.7 1.0
C A:CYS135 4.5 13.7 1.0
SG B:CYS138 4.6 11.9 1.0
O A:CYS135 4.6 13.3 1.0
CB A:ALA134 4.7 13.2 1.0
CA A:ALA134 4.8 12.3 1.0
N A:ALA134 4.9 11.7 1.0
C A:SER137 4.9 10.5 0.7
C A:SER137 5.0 12.1 0.3

Iron binding site 2 out of 4 in 4y0h

Go back to Iron Binding Sites List in 4y0h
Iron binding site 2 out of 4 in the Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:13.1
occ:1.00
 FE2 A:FES501 0.0 13.1 1.0
S2 A:FES501 2.2 13.6 1.0
S1 A:FES501 2.2 13.7 1.0
SG B:CYS135 2.3 14.0 1.0
SG B:CYS138 2.4 11.9 1.0
FE1 A:FES501 2.7 13.1 1.0
CB B:CYS138 3.3 13.3 1.0
CB B:CYS135 3.4 13.1 1.0
N B:CYS135 3.7 11.8 1.0
N B:CYS138 3.8 11.0 1.0
CA B:CYS135 4.0 12.5 1.0
CA B:CYS138 4.1 11.7 1.0
SG A:CYS135 4.4 14.3 1.0
C B:ALA134 4.4 11.5 1.0
C B:CYS135 4.5 12.7 1.0
O B:CYS135 4.6 12.6 1.0
O B:HOH620 4.6 14.5 1.0
SG A:CYS138 4.6 11.9 1.0
CB B:ALA134 4.7 12.3 1.0
CA B:ALA134 4.8 12.1 1.0
N B:ALA134 4.8 12.6 1.0
C B:SER137 4.9 13.5 1.0
O A:HOH649 5.0 17.5 1.0

Iron binding site 3 out of 4 in 4y0h

Go back to Iron Binding Sites List in 4y0h
Iron binding site 3 out of 4 in the Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:11.5
occ:1.00
 FE1 C:FES501 0.0 11.5 1.0
S1 C:FES501 2.2 11.3 1.0
SG D:CYS135 2.3 12.0 1.0
S2 C:FES501 2.3 12.4 1.0
SG D:CYS138 2.4 10.5 1.0
FE2 C:FES501 2.8 11.2 1.0
CB D:CYS138 3.3 10.0 1.0
CB D:CYS135 3.4 9.9 1.0
N D:CYS138 3.7 9.5 1.0
N D:CYS135 3.8 9.6 1.0
CA D:CYS135 4.0 10.1 1.0
CA D:CYS138 4.1 9.5 1.0
SG C:CYS135 4.4 11.2 1.0
C D:ALA134 4.5 11.8 1.0
C D:CYS135 4.5 11.4 1.0
O D:HOH840 4.6 12.6 1.0
O D:CYS135 4.6 10.6 1.0
SG C:CYS138 4.6 10.4 1.0
CB D:ALA134 4.7 12.3 1.0
N D:ALA134 4.9 9.6 1.0
CA D:ALA134 4.9 11.1 1.0
C D:SER137 4.9 9.0 1.0

Iron binding site 4 out of 4 in 4y0h

Go back to Iron Binding Sites List in 4y0h
Iron binding site 4 out of 4 in the Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Gamma-Aminobutyric Acid Aminotransferase Inactivated By (1S,3S)-3- Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:11.2
occ:1.00
 FE2 C:FES501 0.0 11.2 1.0
S2 C:FES501 2.2 12.4 1.0
SG C:CYS135 2.3 11.2 1.0
S1 C:FES501 2.3 11.3 1.0
SG C:CYS138 2.3 10.4 1.0
FE1 C:FES501 2.8 11.5 1.0
CB C:CYS138 3.3 9.4 1.0
CB C:CYS135 3.4 11.3 1.0
N C:CYS135 3.7 9.2 1.0
N C:CYS138 3.7 8.8 1.0
CA C:CYS135 4.0 9.3 1.0
CA C:CYS138 4.1 9.7 1.0
C C:ALA134 4.3 10.4 1.0
SG D:CYS135 4.4 12.0 1.0
C C:CYS135 4.5 9.9 1.0
O C:HOH727 4.5 11.6 1.0
O C:CYS135 4.6 10.0 1.0
SG D:CYS138 4.7 10.5 1.0
CB C:ALA134 4.7 10.6 1.0
N C:ALA134 4.8 10.0 1.0
CA C:ALA134 4.8 9.9 1.0
O C:HOH777 4.8 16.8 1.0
C C:SER137 4.9 10.1 0.3
C C:SER137 4.9 9.1 0.7

Reference:

L.Hyunbeom, H.D.Emma, W.Rui, S.Ruslan, I.J.Jose, L.Dali, K.Neil, B.S.Richard. Mechanism of Inactivation of Gamma-Aminobutyric Acid Aminotransferase By (1S,3S)-3-Amino-4-Difluoromethylenyl-1-Cyclopentanoic Acid (Cpp-115) J. Am. Chem. Soc. 2015.
ISSN: ESSN 1520-5126
PubMed: 25616005
DOI: 10.1021/JA512299N
Page generated: Sun Dec 13 15:52:38 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