5EXK
Crystal structure of M. tuberculosis lipoyl synthase with 6-thiooctanoyl peptide intermediate
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, G, I... (A, C, E, G, I...) | Lipoyl synthase | polymer | 331 | 36939.9 | 6 | UniProt (P9WK91) Pfam (PF16881) Pfam (PF04055) | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Lip-syn,LS,Lipoate synthase,Lipoic acid synthase,Sulfur insertion protein LipA |
| 2 | B, D, F, H, J... (B, D, F, H, J...) | Octanoylated peptide from M. tuberculosis H protein | polymer | 8 | 1010.1 | 6 | UniProt (by SIFTS) (P9WN55) | Mycobacterium tuberculosis | |
| 3 | CA, GA, KA, M, S... (G, I, K, A, C...) | FE3-S4 CLUSTER | non-polymer | 295.8 | 6 | Chemie (F3S) | |||
| 4 | DA, HA, LA, N, T... (G, I, K, A, C...) | IRON/SULFUR CLUSTER | non-polymer | 351.6 | 6 | Chemie (SF4) | |||
| 5 | EA, IA, MA, O, U... (G, I, K, A, C...) | 5'-DEOXYADENOSINE | non-polymer | 251.2 | 6 | Chemie (5AD) PubChem (16725083) PubChem (142) PubChem (71678) PubChem (23638944) PubChem (439182) PubChem (25201172) PubChem (25796474) PubChem (25796475) PubChem (40467848) PubChem (23615209) PubChem (449044) PubChem (40467849) PubChem (1277776) PubChem (57115448) PubChem (59731278) PubChem (6398669) PubChem (6928544) PubChem (90321697) PubChem (676784) PubChem (12827542) PubChem (6541038) PubChem (121275112) PubChem (124363198) PubChem (133636852) PubChem (140689696) PubChem (142801875) PubChem (142801934) | |||
| 6 | AA, FA, JA, NA, P... (E, G, I, K, A...) | METHIONINE | non-polymer | 149.2 | 6 | Chemie (MET) PubChem (876) PubChem (6137) PubChem (84815) | |||
| 7 | BA, Q (E, A) | IMIDAZOLE | non-polymer | 69.1 | 2 | Chemie (IMD) | |||
| 8 | OA, R (K, A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) PubChem (312) | |||
| 9 | W (C) | ISOPROPYL ALCOHOL | non-polymer | 60.1 | 1 | Chemie (IPA) | |||
| 10 | AB, PA, QA, RA, SA... (L, A, B, C, D...) | water | water | 18.0 | 2139 | Chemie (HOH) |
Sequence modifications
A, C, E, G, I, K: 1 - 311 (UniProt: P9WK91)
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | initiating methionine |
| Gly -18 | - | expression tag |
| Ser -17 | - | expression tag |
| Ser -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Gly -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Val -5 | - | expression tag |
| Pro -4 | - | expression tag |
| Arg -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 12 |
| Total formula weight | 227700.2 | |
| Non-Polymers* | Number of molecules | 29 |
| Total formula weight | 6556.5 | |
| All* | Total formula weight | 234256.6 |
