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Chlorine in PDB 4j5p: Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase

Enzymatic activity of Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase

All present enzymatic activity of Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase:
3.5.1.99;

Protein crystallography data

The structure of Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase, PDB code: 4j5p was solved by K.Otrubova, M.Brown, M.S.Mccormick, G.W.Han, S.T.O'neal, B.F.Cravatt, R.C.Stevens, A.H.Lichtman, D.L.Boger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.38 / 2.30
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 104.067, 104.067, 261.034, 90.00, 90.00, 120.00
R / Rfree (%) 22 / 26.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase (pdb code 4j5p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase, PDB code: 4j5p:

Chlorine binding site 1 out of 1 in 4j5p

Go back to Chlorine Binding Sites List in 4j5p
Chlorine binding site 1 out of 1 in the Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:48.5
occ:1.00
 O B:HOH801 3.2 42.4 1.0
ND2 B:ASN259 3.6 48.4 1.0
ND2 A:ASN259 3.6 46.9 1.0
CZ2 B:TRP556 3.7 47.3 1.0
CZ2 A:TRP556 3.8 44.0 1.0
CH2 B:TRP556 3.9 48.5 1.0
CH2 A:TRP556 3.9 43.2 1.0
CB A:ASN259 4.6 39.9 1.0
CB B:ASN259 4.6 46.7 1.0
CG A:ASN259 4.6 43.5 1.0
CG B:ASN259 4.6 50.9 1.0
CD B:PRO310 4.8 41.2 1.0
CG B:PRO310 4.8 42.0 1.0
CD A:PRO310 4.8 45.6 1.0
CG A:PRO310 4.8 45.0 1.0
CE2 B:TRP556 5.0 47.3 1.0

Reference:

K.Otrubova, M.Brown, M.S.Mccormick, G.W.Han, S.T.O'neal, B.F.Cravatt, R.C.Stevens, A.H.Lichtman, D.L.Boger. Rational Design of Fatty Acid Amide Hydrolase Inhibitors That Act By Covalently Bonding to Two Active Site Residues. J.Am.Chem.Soc. V. 135 6289 2013.
ISSN: ISSN 0002-7863
PubMed: 23581831
DOI: 10.1021/JA4014997
Page generated: Sat Dec 12 10:47:36 2020

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