5UUV
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with a product IMP and the inhibitor P182
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 | 384 | 40709.6 | 4 | UniProt (Q81W29) Pfam (PF00478) UniProt (by SIFTS) (A0A6L8P2U9) | Bacillus anthracis | IMPDH |
| 2 | E, I, N, Q (A, B, C, D) | INOSINIC ACID | non-polymer | 348.2 | 4 | 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 | F, J, O, R (A, B, C, D) | N-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-N'-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea | non-polymer | 496.9 | 4 | Chemie (8L1) PubChem (124219490) PubChem (124222457) | |||
| 4 | G, H, K, M (A, B) | POTASSIUM ION | non-polymer | 39.1 | 4 | Chemie (K) PubChem (813) | |||
| 5 | L, P (B, C) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 6 | S, T, U, V (A, B, C, D) | water | water | 18.0 | 40 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 91 (UniProt: Q81W29)
A, B, C, D: 221 - 487 (UniProt: Q81W29)
| PDB | External Database | Details |
|---|---|---|
| Met -23 | - | initiating methionine |
| 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 | 4 |
| Total formula weight | 162838.3 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 3721.1 | |
| All* | Total formula weight | 166559.4 |
