Atomistry » Iron » PDB 1bj9-1c53 » 1bou
Atomistry »
  Iron »
    PDB 1bj9-1c53 »
      1bou »

Iron in PDB 1bou: Three-Dimensional Structure of Ligab

Enzymatic activity of Three-Dimensional Structure of Ligab

All present enzymatic activity of Three-Dimensional Structure of Ligab:
1.13.11.8;

Protein crystallography data

The structure of Three-Dimensional Structure of Ligab, PDB code: 1bou was solved by K.Sugimoto, T.Senda, M.Fukuda, Y.Mitsui, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.00 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 65.400, 66.500, 119.800, 90.00, 92.50, 90.00
R / Rfree (%) 14.9 / 20.6

Iron Binding Sites:

The binding sites of Iron atom in the Three-Dimensional Structure of Ligab (pdb code 1bou). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Three-Dimensional Structure of Ligab, PDB code: 1bou:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1bou

Go back to Iron Binding Sites List in 1bou
Iron binding site 1 out of 2 in the Three-Dimensional Structure of Ligab


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Three-Dimensional Structure of Ligab within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:21.6
occ:1.00
OE1 B:GLU242 2.1 21.6 1.0
NE2 B:HIS12 2.1 18.8 1.0
NE2 B:HIS61 2.2 18.9 1.0
O B:HOH565 2.3 33.1 1.0
CD B:GLU242 2.9 22.2 1.0
CD2 B:HIS12 3.0 18.8 1.0
CD2 B:HIS61 3.0 14.4 1.0
OD1 B:ASN59 3.1 24.1 1.0
OE2 B:GLU242 3.1 16.4 1.0
CE1 B:HIS12 3.2 14.6 1.0
CE1 B:HIS61 3.2 11.3 1.0
ND2 B:ASN59 3.7 17.9 1.0
O B:HOH546 3.8 44.0 1.0
CG B:ASN59 3.8 18.2 1.0
O A:HOH159 4.1 24.6 1.0
CG B:HIS12 4.2 17.7 1.0
CG B:HIS61 4.2 17.2 1.0
ND1 B:HIS12 4.2 20.4 1.0
ND1 B:HIS61 4.3 17.1 1.0
CG B:GLU242 4.3 19.9 1.0
O B:HOH510 4.6 22.9 1.0
OH A:TYR90 4.6 26.6 1.0
NE2 B:HIS127 4.7 18.7 1.0
O B:ASN59 4.8 18.0 1.0
CE2 A:TYR90 4.9 22.8 1.0
CA B:GLY191 4.9 19.7 1.0

Iron binding site 2 out of 2 in 1bou

Go back to Iron Binding Sites List in 1bou
Iron binding site 2 out of 2 in the Three-Dimensional Structure of Ligab


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Three-Dimensional Structure of Ligab within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe502

b:31.1
occ:1.00
NE2 D:HIS12 2.0 22.8 1.0
NE2 D:HIS61 2.0 19.6 1.0
OE1 D:GLU242 2.1 29.1 1.0
O D:HOH551 2.2 26.6 1.0
CD D:GLU242 2.8 25.6 1.0
CE1 D:HIS61 2.9 20.7 1.0
CD2 D:HIS12 3.0 25.5 1.0
OD1 D:ASN59 3.0 29.3 1.0
CE1 D:HIS12 3.0 21.6 1.0
OE2 D:GLU242 3.1 21.8 1.0
CD2 D:HIS61 3.2 19.9 1.0
ND2 D:ASN59 3.6 19.7 1.0
CG D:ASN59 3.7 23.3 1.0
O D:HOH545 3.8 34.0 1.0
O C:HOH141 4.0 33.7 1.0
ND1 D:HIS61 4.1 19.4 1.0
ND1 D:HIS12 4.1 24.8 1.0
CG D:HIS12 4.1 26.7 1.0
CG D:GLU242 4.1 24.4 1.0
CG D:HIS61 4.2 21.3 1.0
OH C:TYR90 4.6 33.6 1.0
NE2 D:HIS127 4.6 27.4 1.0
O D:ASN59 4.8 26.4 1.0
O D:HOH513 4.8 34.9 1.0
CA D:GLY191 4.9 23.7 1.0
CE2 C:TYR90 5.0 34.0 1.0
CZ C:TYR90 5.0 33.0 1.0

Reference:

K.Sugimoto, T.Senda, H.Aoshima, E.Masai, M.Fukuda, Y.Mitsui. Crystal Structure of An Aromatic Ring Opening Dioxygenase Ligab, A Protocatechuate 4,5-Dioxygenase, Under Aerobic Conditions. Structure V. 7 953 1999.
ISSN: ISSN 0969-2126
PubMed: 10467151
DOI: 10.1016/S0969-2126(99)80122-1
Page generated: Sun Dec 13 14:08:05 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