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) | |||
| 6 | AA, FA, JA, NA, P... (E, G, I, K, A...) | METHIONINE | non-polymer | 149.2 | 6 | Chemie (MET) | |||
| 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) | |||
| 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 |
