4NEC
Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis
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 (A, B, C, D) | Putative SAM-dependent methyltransferase | polymer | 264 | 28509.7 | 4 | UniProt (Q0X0A7) | Streptomyces lasaliensis | |
| 2 | B, D, F, H (E, F, G, H) | Echinomycin | polymer | 8 | 809.0 | 4 | NOR (NOR01126) BIRD (PRD_000491) | Streptomyces echinatus | |
| 3 | I, O, S, W (A, B, C, D) | S-ADENOSYL-L-HOMOCYSTEINE | non-polymer | 384.4 | 4 | Chemie (SAH) PubChem (16760024) PubChem (193) PubChem (25210495) PubChem (13792) PubChem (177678424) PubChem (44361184) PubChem (21125603) PubChem (46936206) PubChem (50989525) PubChem (25203782) PubChem (51380914) PubChem (52224398) PubChem (189149) PubChem (57544532) PubChem (439155) PubChem (59046843) PubChem (59170628) PubChem (59576228) PubChem (66805708) PubChem (70689219) PubChem (70702054) PubChem (70832431) PubChem (52224400) PubChem (5284331) PubChem (6419189) PubChem (118374891) PubChem (118560068) PubChem (71170554) PubChem (13231890) PubChem (164157219) PubChem (126969526) PubChem (129105892) PubChem (143518505) PubChem (154578335) PubChem (163054214) PubChem (163335525) | |||
| 4 | J, Z (A, D) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 2 | Chemie (PGE) | |||
| 5 | K, L, T (A, C) | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) PubChem (923) | |||
| 6 | AA, BA, M, N, Q... (H, E, F, G) | 2-CARBOXYQUINOXALINE | non-polymer | 174.2 | 8 | BIRD (PRD_000491) Chemie (QUI) | |||
| 7 | P (B) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) PubChem (175) | |||
| 8 | X, Y (D) | POLYETHYLENE GLYCOL (N=34) | non-polymer | 1529.8 | 2 | Chemie (15P) PubChem (16755630) | |||
| 9 | CA, DA, EA, FA, GA... (A, B, F, C, G...) | water | water | 18.0 | 320 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 224 (UniProt: Q0X0A7)
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | expression tag |
| 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 |
| Trp 225 | - | expression tag |
| Asn 226 | - | expression tag |
| Ser 227 | - | expression tag |
| Ser 228 | - | expression tag |
| Ser 229 | - | expression tag |
| Val 230 | - | expression tag |
| Asp 231 | - | expression tag |
| Lys 232 | - | expression tag |
| Leu 233 | - | expression tag |
| Ala 234 | - | expression tag |
| Ala 235 | - | expression tag |
| Ala 236 | - | expression tag |
| Leu 237 | - | expression tag |
| Glu 238 | - | expression tag |
| His 239 | - | expression tag |
| His 240 | - | expression tag |
| His 241 | - | expression tag |
| His 242 | - | expression tag |
| His 243 | - | expression tag |
| His 244 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 117274.8 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 6418.9 | |
| All* | Total formula weight | 123693.7 |
