4MY9
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor 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, E... (A, B, C, D, E...) | Inosine-5'-monophosphate dehydrogenase | polymer | 384 | 40709.6 | 8 | UniProt (Q81W29) Pfam (PF00478) UniProt (by SIFTS) (A0A6L8P2U9) | Bacillus anthracis (anthrax anthrax bacterium) | IMP dehydrogenase, IMPD, IMPDH |
| 2 | BA, EA, I, L, P... (G, H, A, B, C...) | INOSINIC ACID | non-polymer | 348.2 | 8 | Chemie (IMP) PubChem (177678963) PubChem (135464200) PubChem (135533971) PubChem (138454308) PubChem (135398640) PubChem (135402036) PubChem (135449337) PubChem (135486133) PubChem (135530792) PubChem (135567013) PubChem (135705234) PubChem (135854804) PubChem (135889742) PubChem (136026456) PubChem (136073920) PubChem (136217866) PubChem (136259539) PubChem (136716177) PubChem (136766861) PubChem (136811071) PubChem (137162990) PubChem (137168789) PubChem (137257909) PubChem (162510533) PubChem (174152734) | |||
| 3 | AA, CA, FA, J, M... (F, G, H, A, B...) | N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide | non-polymer | 378.4 | 8 | Chemie (C91) PubChem (46898106) | |||
| 4 | DA, GA, K, N, O... (G, H, A, B, C...) | MALONATE ION | non-polymer | 102.0 | 9 | Chemie (MLI) PubChem (9084) | |||
| 5 | HA, IA, JA, KA, LA... (A, B, C, D, E...) | water | water | 18.0 | 310 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 1 - 91 (UniProt: Q81W29)
A, B, C, D, E, F, G, H: 221 - 487 (UniProt: Q81W29)
| 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 |
| Gly 220 | - | linker |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 325676.6 | |
| Non-Polymers* | Number of molecules | 25 |
| Total formula weight | 6731.5 | |
| All* | Total formula weight | 332408.1 |
