Atomistry » Bromine » PDB 4alv-4d46 » 4d46
Atomistry »
  Bromine »
    PDB 4alv-4d46 »
      4d46 »

Bromine in PDB 4d46: Crystal Structure of E. Coli Fabi in Complex with Nad and 5- Bromo-2-(4-Chloro-2-Hydroxyphenoxy)Benzonitrile

Enzymatic activity of Crystal Structure of E. Coli Fabi in Complex with Nad and 5- Bromo-2-(4-Chloro-2-Hydroxyphenoxy)Benzonitrile

All present enzymatic activity of Crystal Structure of E. Coli Fabi in Complex with Nad and 5- Bromo-2-(4-Chloro-2-Hydroxyphenoxy)Benzonitrile:
1.3.1.9;

Protein crystallography data

The structure of Crystal Structure of E. Coli Fabi in Complex with Nad and 5- Bromo-2-(4-Chloro-2-Hydroxyphenoxy)Benzonitrile, PDB code: 4d46 was solved by M.Tareilus, J.Schiebel, A.Chang, P.J.Tonge, C.A.Sotriffer, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 68.54 / 2.00
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 79.144, 79.144, 322.316, 90.00, 90.00, 120.00
R / Rfree (%) 16.563 / 20.643

Other elements in 4d46:

The structure of Crystal Structure of E. Coli Fabi in Complex with Nad and 5- Bromo-2-(4-Chloro-2-Hydroxyphenoxy)Benzonitrile also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of E. Coli Fabi in Complex with Nad and 5- Bromo-2-(4-Chloro-2-Hydroxyphenoxy)Benzonitrile (pdb code 4d46). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of E. Coli Fabi in Complex with Nad and 5- Bromo-2-(4-Chloro-2-Hydroxyphenoxy)Benzonitrile, PDB code: 4d46:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 4d46

Go back to Bromine Binding Sites List in 4d46
Bromine binding site 1 out of 2 in the Crystal Structure of E. Coli Fabi in Complex with Nad and 5- Bromo-2-(4-Chloro-2-Hydroxyphenoxy)Benzonitrile


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 E. Coli Fabi in Complex with Nad and 5- Bromo-2-(4-Chloro-2-Hydroxyphenoxy)Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1259

b:57.9
occ:1.00
 BR1 A:J471259 0.0 57.9 1.0
C4 A:J471259 1.9 47.4 1.0
C3 A:J471259 2.8 37.1 1.0
C5 A:J471259 2.9 35.6 1.0
O A:ALA95 3.2 29.2 1.0
O A:HOH2086 3.3 36.8 1.0
N A:ALA95 3.4 32.0 1.0
CD1 A:LEU100 3.5 44.9 1.0
C A:ALA95 4.1 31.4 1.0
C2 A:J471259 4.1 38.3 1.0
C6 A:J471259 4.1 37.0 1.0
CA A:ALA95 4.2 30.7 1.0
C A:PHE94 4.3 32.5 1.0
CA A:PHE94 4.3 31.6 1.0
CB A:ALA95 4.3 25.9 1.0
CG A:LEU100 4.6 41.2 1.0
C7 A:J471259 4.6 34.6 1.0
CG A:MET159 4.7 30.4 1.0
CD1 A:PHE94 4.7 33.3 1.0
SD A:MET159 4.9 34.9 1.0
CD2 A:LEU100 5.0 37.2 1.0

Bromine binding site 2 out of 2 in 4d46

Go back to Bromine Binding Sites List in 4d46
Bromine binding site 2 out of 2 in the Crystal Structure of E. Coli Fabi in Complex with Nad and 5- Bromo-2-(4-Chloro-2-Hydroxyphenoxy)Benzonitrile


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 E. Coli Fabi in Complex with Nad and 5- Bromo-2-(4-Chloro-2-Hydroxyphenoxy)Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1258

b:71.5
occ:1.00
 BR1 B:J471258 0.0 71.5 1.0
C4 B:J471258 1.9 58.5 1.0
C3 B:J471258 2.8 52.0 1.0
C5 B:J471258 2.9 51.2 1.0
O B:ALA95 3.3 38.6 1.0
N B:ALA95 3.5 41.8 1.0
CD1 B:LEU100 3.6 56.6 1.0
C2 B:J471258 4.1 50.2 1.0
C6 B:J471258 4.1 43.9 1.0
C B:ALA95 4.2 41.3 1.0
CA B:ALA95 4.2 40.7 1.0
C B:PHE94 4.3 41.7 1.0
CB B:ALA95 4.4 37.9 1.0
CA B:PHE94 4.4 41.3 1.0
C7 B:J471258 4.6 45.7 1.0
CD1 B:PHE94 4.7 45.2 1.0
CG B:LEU100 4.8 51.2 1.0

Reference:

J.Schiebel, A.Chang, B.Merget, G.R.Bommineni, W.Yu, L.A.Spagnuolo, M.V.Baxter, M.Tareilus, P.J.Tonge, C.Kisker, C.A.Sotriffer. An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry 2015.
ISSN: ESSN 1520-4995
PubMed: 25706582
DOI: 10.1021/BI5014358
Page generated: Wed Jul 10 21:00:22 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy