6EEE
X-ray crystal structure of Pf-M17 in complex with inhibitor (6k) and regulatory zinc ion
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (A, B, C, D, E...) | M17 LEUCYL-AMINOPEPTIDASE | polymer | 519 | 57564.6 | 12 | UniProt (A0A0L7KHE6) Pfam (PF00883) | Plasmodium falciparum (isolate HB3) | |
| 2 | AB, CC, EA, JB, JD... (F, I, C, G, L...) | (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide | non-polymer | 458.5 | 12 | Chemie (J4V) | |||
| 3 | BB, DC, FA, KB, KD... (F, I, C, G, L...) | CARBONATE ION | non-polymer | 60.0 | 12 | Chemie (CO3) | |||
| 4 | CB, EC, GA, LB, LD... (F, I, C, G, L...) | ZINC ION | non-polymer | 65.4 | 12 | Chemie (ZN) | |||
| 5 | AD, BD, CD, DB, EB... (K, F, I, C, G...) | SULFATE ION | non-polymer | 96.1 | 31 | Chemie (SO4) | |||
| 6 | AA, BA, BC, CA, OB... (B, H, G, A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 6 | Chemie (DMS) | |||
| 7 | DA, HB, HD, IB, ID... (B, F, K, I, C...) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 23 | Chemie (1PE) | |||
| 8 | AC, DD, ED, FB, FD... (H, K, F, I, L...) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 14 | Chemie (EDO) | |||
| 9 | YB (H) | NONAETHYLENE GLYCOL | non-polymer | 414.5 | 1 | Chemie (2PE) | |||
| 10 | AE, BE, CE, DE, EE... (H, I, J, K, L...) | water | water | 18.0 | 2199 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H, I, J, K, L: 85 - 603 (UniProt: A0A0L7KHE6)
| PDB | External Database | Details |
|---|---|---|
| Gln 152 | Asn 154 | engineered mutation |
| Gln 515 | Asn 517 | engineered mutation |
| Gln 546 | Asn 548 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 12 |
| Total formula weight | 690775.8 | |
| Non-Polymers* | Number of molecules | 111 |
| Total formula weight | 17217.3 | |
| All* | Total formula weight | 707993.1 |
