9AV2
Crystal structure of E. coli GuaB dCBS with inhibitor GNE9979
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Inosine-5'-monophosphate dehydrogenase | polymer | 381 | 39903.2 | 1 | UniProt (P0ADG8) Pfam (PF00478) UniProt (by SIFTS) (P0ADG7) | Escherichia coli | IMP dehydrogenase,IMPD,IMPDH |
| 2 | B (A) | INOSINIC ACID | non-polymer | 348.2 | 1 | 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 | C (A) | N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide | non-polymer | 398.9 | 1 | Chemie (VP4) PubChem (172640706) | |||
| 4 | D (A) | water | water | 18.0 | 210 | Chemie (HOH) |
Sequence modifications
A: 2 - 89 (UniProt: P0ADG8)
A: 218 - 488 (UniProt: P0ADG8)
| PDB | External Database | Details |
|---|---|---|
| Met -14 | - | initiating methionine |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| His -9 | - | expression tag |
| His -8 | - | expression tag |
| Gly -7 | - | expression tag |
| Glu -6 | - | expression tag |
| Asn -5 | - | expression tag |
| Leu -4 | - | expression tag |
| Tyr -3 | - | expression tag |
| Phe -2 | - | expression tag |
| Gln -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Ser 1 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Ser 215 | - | linker |
| Gly 216 | - | linker |
| Gly 217 | - | linker |
| Gly 489 | - | expression tag |
| Asn 490 | - | expression tag |
| Ser 491 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 39903.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 747.1 | |
| All* | Total formula weight | 40650.3 |
