Atomistry » Iodine » PDB 4k1c-4mw7 » 4laz
Atomistry »
  Iodine »
    PDB 4k1c-4mw7 »
      4laz »

Iodine in PDB 4laz: Crystal Structure of Human Ar Complexed with Nadp+ and {5-Chloro-2- [(4-Iodobenzyl)Carbamoyl]Phenoxy}Acetic Acid

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

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

Protein crystallography data

The structure of Crystal Structure of Human Ar Complexed with Nadp+ and {5-Chloro-2- [(4-Iodobenzyl)Carbamoyl]Phenoxy}Acetic Acid, PDB code: 4laz 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) 27.70 / 0.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.309, 66.975, 47.336, 90.00, 92.34, 90.00
R / Rfree (%) 13.5 / 13.9

Other elements in 4laz:

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

Chlorine (Cl) 1 atom

Iodine Binding Sites:

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

Iodine binding site 1 out of 1 in 4laz

Go back to Iodine Binding Sites List in 4laz
Iodine binding site 1 out of 1 in the Crystal Structure of Human Ar Complexed with Nadp+ and {5-Chloro-2- [(4-Iodobenzyl)Carbamoyl]Phenoxy}Acetic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Human Ar Complexed with Nadp+ and {5-Chloro-2- [(4-Iodobenzyl)Carbamoyl]Phenoxy}Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I402

b:5.5
occ:1.00
 I7 A:1WW402 0.0 5.5 1.0
C6 A:1WW402 2.1 5.2 1.0
C4 A:1WW402 3.0 6.4 1.0
OG1 A:THR113 3.0 4.3 1.0
C5 A:1WW402 3.1 5.3 1.0
CE3 A:TRP111 3.8 4.1 1.0
CD2 A:TRP111 3.9 3.8 1.0
CG A:TRP111 4.0 3.5 1.0
CB A:CYS303 4.0 6.6 1.0
CB A:TRP111 4.0 3.4 1.0
CG2 A:THR113 4.0 5.0 1.0
CB A:THR113 4.1 4.3 1.0
CZ A:PHE115 4.1 4.9 1.0
SG A:CYS303 4.2 6.5 1.0
CD1 A:TYR309 4.3 6.7 1.0
C1 A:1WW402 4.3 6.6 1.0
C3 A:1WW402 4.4 5.0 1.0
CE1 A:PHE115 4.4 4.8 1.0
CE1 A:TYR309 4.5 7.2 1.0
CZ3 A:TRP111 4.6 4.8 1.0
CE2 A:TRP111 4.7 4.6 1.0
CD1 A:TRP111 4.8 4.4 1.0
C2 A:1WW402 4.9 5.6 1.0
SG A:CYS80 4.9 3.5 1.0
CD A:PRO310 4.9 4.8 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: Fri Aug 8 17:43:18 2025

Last articles

Mn in 6OI7
Mn in 6OIV
Mn in 6OE2
Mn in 6OBU
Mn in 6OBS
Mn in 6OBR
Mn in 6OBQ
Mn in 6O7E
Mn in 6O7D
Mn in 6O78
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy