6DXX
Human N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C, E (A, C, E) | N-acylethanolamine-hydrolyzing acid amidase subunit alpha | polymer | 107 | 12318.3 | 3 | UniProt (Q02083) Pfam (PF15508) | Homo sapiens (Human) | Acid ceramidase-like protein,N-acylsphingosine amidohydrolase-like,ASAH-like protein |
| 2 | B, D, F (B, D, F) | N-acylethanolamine-hydrolyzing acid amidase subunit beta | polymer | 234 | 26335.8 | 3 | UniProt (Q02083) Pfam (PF02275) | Homo sapiens (Human) | Acid ceramidase-like protein,N-acylsphingosine amidohydrolase-like,ASAH-like protein |
| 3 | G (G) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 4 | CA, H, K, O, U (E, A, B, C, D) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) | |||
| 5 | DA, FA, I, L, M... (E, F, A, B, C...) | CHLORIDE ION | non-polymer | 35.5 | 12 | Chemie (CL) | |||
| 6 | EA, J, T (E, A, C) | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | non-polymer | 294.4 | 3 | Chemie (TON) | |||
| 7 | BA, JA, N (D, F, B) | [2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone | non-polymer | 447.5 | 3 | Chemie (WTF) | |||
| 8 | AA, GA, HA, IA, S... (D, F, C) | THIOCYANATE ION | non-polymer | 58.1 | 6 | Chemie (SCN) | |||
| 9 | KA, LA, MA, NA, OA... (A, B, C, D, E...) | water | water | 18.0 | 200 | Chemie (HOH) |
Sequence modifications
A, C, E: 29 - 125 (UniProt: Q02083)
| PDB | External Database | Details |
|---|---|---|
| Asp 19 | - | expression tag |
| Arg 20 | - | expression tag |
| His 21 | - | expression tag |
| His 22 | - | expression tag |
| His 23 | - | expression tag |
| His 24 | - | expression tag |
| His 25 | - | expression tag |
| His 26 | - | expression tag |
| Lys 27 | - | expression tag |
| Leu 28 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 115962.4 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 29 |
| Total formula weight | 4105.9 | |
| All* | Total formula weight | 120492.7 |
