4MZ8
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with an Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound C91
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 (A, B, C, D) | Inosine-5'-monophosphate dehydrogenase | polymer | 406 | 43524.8 | 4 | UniProt (Q0P9J4) Pfam (PF00478) | Campylobacter jejuni subsp. jejuni | IMP dehydrogenase, IMPD, IMPDH |
| 2 | E, FA, N, Y (A, D, B, C) | INOSINIC ACID | non-polymer | 348.2 | 4 | Chemie (IMP) | |||
| 3 | F, GA, O, Z (A, D, B, C) | N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide | non-polymer | 378.4 | 4 | Chemie (C91) | |||
| 4 | AA, EA, G, HA, P... (C, A, D, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 5 | H, IA, T, X (A, D, B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 6 | I, W (A, B) | FORMIC ACID | non-polymer | 46.0 | 2 | Chemie (FMT) | |||
| 7 | J, S (A, B) | ACETIC ACID | non-polymer | 60.1 | 2 | Chemie (ACY) | |||
| 8 | K, U, V (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 9 | BA, CA, DA, L, Q (C, A, B) | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 10 | M (A) | dimethyl ether | non-polymer | 46.1 | 1 | Chemie (2F2) | |||
| 11 | JA, KA, LA, MA (A, B, C, D) | water | water | 18.0 | 294 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 91 (UniProt: Q0P9J4)
A, B, C, D: 196 - 485 (UniProt: Q0P9J4)
| PDB | External Database | Details |
|---|---|---|
| Met -23 | - | expression tag |
| His -22 | - | expression tag |
| His -21 | - | expression tag |
| His -20 | - | expression tag |
| His -19 | - | expression tag |
| His -18 | - | expression tag |
| His -17 | - | expression tag |
| Ser -16 | - | expression tag |
| Ser -15 | - | expression tag |
| Gly -14 | - | expression tag |
| Val -13 | - | expression tag |
| Asp -12 | - | expression tag |
| Leu -11 | - | expression tag |
| Gly -10 | - | expression tag |
| Thr -9 | - | expression tag |
| Glu -8 | - | expression tag |
| Asn -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Tyr -5 | - | expression tag |
| Phe -4 | - | expression tag |
| Gln -3 | - | expression tag |
| Ser -2 | - | expression tag |
| Asn -1 | - | expression tag |
| Ala 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 92 | - | linker |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 174099.3 | |
| Non-Polymers* | Number of molecules | 31 |
| Total formula weight | 4473.0 | |
| All* | Total formula weight | 178572.3 |
