Bromine in PDB 6ohj: Crystal Structure of the Debrominase BMP8 C82A in Complex with 2,3,4- Tribromopyrrole

Protein crystallography data

The structure of Crystal Structure of the Debrominase BMP8 C82A in Complex with 2,3,4- Tribromopyrrole, PDB code: 6ohj was solved by J.R.Chekan, B.S.Moore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.00 / 3.19
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 65.817, 65.817, 288.848, 90.00, 90.00, 120.00
R / Rfree (%) 23.2 / 28.2

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Debrominase BMP8 C82A in Complex with 2,3,4- Tribromopyrrole (pdb code 6ohj). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of the Debrominase BMP8 C82A in Complex with 2,3,4- Tribromopyrrole, PDB code: 6ohj:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in 6ohj

Go back to Bromine Binding Sites List in 6ohj
Bromine binding site 1 out of 3 in the Crystal Structure of the Debrominase BMP8 C82A in Complex with 2,3,4- Tribromopyrrole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Debrominase BMP8 C82A in Complex with 2,3,4- Tribromopyrrole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br201

b:0.9
occ:1.00
BR01 B:MKV201 0.0 0.9 1.0
C02 B:MKV201 1.9 0.7 1.0
N08 B:MKV201 2.9 0.6 1.0
C03 B:MKV201 3.0 0.8 1.0
BR04 B:MKV201 3.6 1.0 1.0
ND1 B:HIS88 3.7 0.5 1.0
CB B:HIS88 3.9 1.0 1.0
C07 B:MKV201 4.1 0.0 1.0
C05 B:MKV201 4.1 0.6 1.0
CG B:HIS88 4.2 0.2 1.0
CE1 B:PHE89 4.3 0.9 1.0
CD2 B:LEU31 4.4 0.1 1.0
CZ B:PHE89 4.5 1.0 1.0
CD1 B:LEU166 4.6 0.8 1.0
CD1 B:ILE92 4.7 0.7 1.0
CD1 B:PHE89 4.8 0.2 1.0
CG B:PRO35 4.8 0.2 1.0
CZ B:PHE55 4.8 0.2 1.0
CE1 B:HIS88 4.8 1.0 1.0
CE1 B:PHE55 4.9 0.1 1.0

Bromine binding site 2 out of 3 in 6ohj

Go back to Bromine Binding Sites List in 6ohj
Bromine binding site 2 out of 3 in the Crystal Structure of the Debrominase BMP8 C82A in Complex with 2,3,4- Tribromopyrrole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Debrominase BMP8 C82A in Complex with 2,3,4- Tribromopyrrole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br201

b:1.0
occ:1.00
BR04 B:MKV201 0.0 1.0 1.0
C03 B:MKV201 1.9 0.8 1.0
C02 B:MKV201 2.9 0.7 1.0
C05 B:MKV201 3.0 0.6 1.0
SD B:MET27 3.3 0.3 1.0
CE1 B:PHE55 3.6 0.1 1.0
BR01 B:MKV201 3.6 0.9 1.0
CD1 B:PHE55 3.7 0.0 1.0
CD1 B:LEU166 3.8 0.8 1.0
BR06 B:MKV201 3.8 0.9 1.0
CD2 B:LEU166 3.8 0.1 1.0
CG B:MET27 3.9 0.1 1.0
CZ B:PHE55 3.9 0.2 1.0
CE2 B:PHE51 4.0 0.7 1.0
N08 B:MKV201 4.1 0.6 1.0
C07 B:MKV201 4.1 0.0 1.0
CG B:PHE55 4.2 0.7 1.0
CZ B:PHE51 4.3 0.4 1.0
CE2 B:PHE55 4.4 0.1 1.0
CG B:LEU166 4.4 0.8 1.0
CD2 B:PHE55 4.5 0.9 1.0
CE B:MET27 4.8 0.7 1.0

Bromine binding site 3 out of 3 in 6ohj

Go back to Bromine Binding Sites List in 6ohj
Bromine binding site 3 out of 3 in the Crystal Structure of the Debrominase BMP8 C82A in Complex with 2,3,4- Tribromopyrrole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the Debrominase BMP8 C82A in Complex with 2,3,4- Tribromopyrrole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br201

b:0.9
occ:1.00
BR06 B:MKV201 0.0 0.9 1.0
C05 B:MKV201 1.9 0.6 1.0
C07 B:MKV201 3.0 0.0 1.0
C03 B:MKV201 3.0 0.8 1.0
N B:ILE38 3.5 0.2 1.0
CB B:ILE38 3.7 0.4 1.0
BR04 B:MKV201 3.8 1.0 1.0
C B:GLY37 3.8 0.1 1.0
CA B:ILE38 3.8 0.2 1.0
CD2 B:LEU166 4.0 0.1 1.0
N08 B:MKV201 4.1 0.6 1.0
C02 B:MKV201 4.1 0.7 1.0
CE B:MET41 4.1 95.7 1.0
CE2 B:PHE51 4.2 0.7 1.0
CA B:GLY37 4.3 0.5 1.0
O B:GLY37 4.3 0.1 1.0
CG2 B:ILE38 4.5 0.3 1.0
CD1 B:TRP169 4.6 90.4 1.0
NE1 B:TRP169 4.7 91.7 1.0
CD2 B:PHE51 4.8 99.5 1.0
CG1 B:ILE38 4.8 0.1 1.0
CD1 B:ILE38 4.9 0.7 1.0
SD B:MET27 5.0 0.3 1.0

Reference:

J.R.Chekan, G.Y.Lee, A.El Gamal, T.N.Purdy, K.N.Houk, B.S.Moore. Bacterial Tetrabromopyrrole Debrominase Shares A Reductive Dehalogenation Strategy with Human Thyroid Deiodinase. Biochemistry 2019.
ISSN: ISSN 0006-2960
PubMed: 31117392
DOI: 10.1021/ACS.BIOCHEM.9B00318
Page generated: Sat Dec 12 02:35:21 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