Atomistry » Bromine » PDB 4kvh-4my6 » 4lau
Atomistry »
  Bromine »
    PDB 4kvh-4my6 »
      4lau »

Bromine in PDB 4lau: Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4- Bromobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid

Enzymatic activity of Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4- Bromobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid

All present enzymatic activity of Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4- Bromobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid:
1.1.1.21;

Protein crystallography data

The structure of Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4- Bromobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid, PDB code: 4lau was solved by A.Cousido-Siah, A.Mitschler, F.X.Ruiz, J.Fanfrlik, M.Kolar, P.Hobza, A.Podjarny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.87 / 0.84
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.328, 67.047, 47.347, 90.00, 92.40, 90.00
R / Rfree (%) 13.8 / 14.2

Other elements in 4lau:

The structure of Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4- Bromobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4- Bromobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid (pdb code 4lau). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4- Bromobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid, PDB code: 4lau:

Bromine binding site 1 out of 1 in 4lau

Go back to Bromine Binding Sites List in 4lau
Bromine binding site 1 out of 1 in the Crystal Structure of Human Ar Complexed with Nadp+ and {2-[(4- Bromobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid


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 Human Ar Complexed with Nadp+ and {2-[(4- Bromobenzyl)Carbamoyl]-5-Chlorophenoxy}Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br402

b:6.2
occ:1.00
BR7 A:W8X402 0.0 6.2 1.0
C6 A:W8X402 1.9 5.7 1.0
C5 A:W8X402 2.8 6.1 1.0
C4 A:W8X402 2.9 5.8 1.0
OG1 A:THR113 3.0 4.4 1.0
CE3 A:TRP111 3.9 4.0 1.0
CD2 A:TRP111 3.9 3.8 1.0
CB A:CYS303 3.9 6.4 1.0
CZ A:PHE115 3.9 5.1 1.0
CG A:TRP111 3.9 3.8 1.0
CB A:TRP111 4.0 3.5 1.0
CG2 A:THR113 4.0 5.0 1.0
CB A:THR113 4.0 4.3 1.0
SG A:CYS303 4.1 6.4 1.0
C3 A:W8X402 4.1 6.2 1.0
C1 A:W8X402 4.2 5.7 1.0
CE1 A:PHE115 4.3 4.9 1.0
CD1 A:TYR309 4.4 6.5 1.0
CE1 A:TYR309 4.6 7.0 1.0
C2 A:W8X402 4.7 5.7 1.0
CZ3 A:TRP111 4.7 4.8 1.0
CE2 A:TRP111 4.7 4.6 1.0
CD1 A:TRP111 4.7 4.3 1.0
SG A:CYS80 4.8 3.7 1.0

Reference:

J.Fanfrlik, M.Kolar, M.Kamlar, D.Hurny, F.X.Ruiz, A.Cousido-Siah, A.Mitschler, J.Rezac, E.Munusamy, M.Lepsik, P.Matejicek, J.Vesely, A.Podjarny, P.Hobza. Modulation of Aldose Reductase Inhibition By Halogen Bond Tuning. Acs Chem.Biol. V. 8 2484 2013.
ISSN: ISSN 1554-8929
PubMed: 23988122
DOI: 10.1021/CB400526N
Page generated: Mon Jul 7 07:01:58 2025

Last articles

Mn in 5NRZ
Mn in 5NMP
Mn in 5NHA
Mn in 5NPK
Mn in 5NPP
Mn in 5NNB
Mn in 5NNA
Mn in 5NH9
Mn in 5NDF
Mn in 5NFN
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy