3PPM
Crystal Structure of a Noncovalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Fatty-acid amide hydrolase 1 | polymer | 573 | 63111.7 | 2 | UniProt (P97612) Pfam (PF01425) In PDB | Rattus norvegicus (rat) | Anandamide amidohydrolase 1, Oleamide hydrolase 1 |
2 | A, B | 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one | non-polymer | 335.4 | 2 | Chemie (JG1) | |||
3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
4 | A, B | FLUORIDE ION | non-polymer | 19.0 | 2 | Chemie (F) | |||
5 | A, B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 4 | Chemie (PEG) | |||
6 | B | 1-DODECANOL | non-polymer | 186.3 | 1 | Chemie (1DO) | |||
7 | water | water | 18.0 | 1054 | Chemie (HOH) |
Sequence modifications
A, B: 30 - 579 (UniProt: P97612)
PDB | External Database | Details |
---|---|---|
Met 7 | - | expression tag |
Gly 8 | - | expression tag |
Ser 9 | - | expression tag |
Ser 10 | - | expression tag |
His 11 | - | expression tag |
His 12 | - | expression tag |
His 13 | - | expression tag |
His 14 | - | expression tag |
His 15 | - | expression tag |
His 16 | - | expression tag |
Ser 17 | - | expression tag |
Ser 18 | - | expression tag |
Gly 19 | - | expression tag |
Leu 20 | - | expression tag |
Val 21 | - | expression tag |
Pro 22 | - | expression tag |
Arg 23 | - | expression tag |
Gly 24 | - | expression tag |
Ser 25 | - | expression tag |
His 26 | - | expression tag |
Met 27 | - | expression tag |
Ala 28 | - | expression tag |
Ser 29 | - | expression tag |
Phe 192 | Leu 192 | engineered mutation |
Tyr 194 | Phe 194 | engineered mutation |
Thr 377 | Ala 377 | engineered mutation |
Asn 435 | Ser 435 | engineered mutation |
Val 491 | Ile 491 | engineered mutation |
Met 495 | Val 495 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 126223.3 | |
Non-Polymers* | Number of molecules | 12 |
Total formula weight | 1426.0 | |
All* | Total formula weight | 127649.3 |