8Q2E
The 1.68-A X-ray crystal structure of Sporosarcina pasteurii urease inhibited by thiram and bound to dimethylditiocarbamate
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Urease subunit gamma | polymer | 100 | 11134.9 | 1 | UniProt (P41022) | Sporosarcina pasteurii | Urea amidohydrolase subunit gamma |
| 2 | B (B) | Urease subunit beta | polymer | 122 | 13529.1 | 1 | UniProt (P41021) | Sporosarcina pasteurii | Urea amidohydrolase subunit beta |
| 3 | C (C) | Urease subunit alpha | polymer | 570 | 61575.6 | 1 | UniProt (P41020) Pfam (PF00449) Pfam (PF01979) | Sporosarcina pasteurii | Urea amidohydrolase subunit alpha |
| 4 | AA, BA, CA, D, DA... (C, A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 21 | Chemie (EDO) | |||
| 5 | J, K, L, LA, M... (A, C, B) | SULFATE ION | non-polymer | 96.1 | 16 | Chemie (SO4) | |||
| 6 | HA (C) | dimethylcarbamodithioic acid | non-polymer | 121.2 | 1 | Chemie (IS9) PubChem (6599) | |||
| 7 | IA, JA (C) | NICKEL (II) ION | non-polymer | 58.7 | 2 | Chemie (NI) PubChem (934) | |||
| 8 | KA (C) | HYDROXIDE ION | non-polymer | 17.0 | 1 | Chemie (OH) PubChem (961) | |||
| 9 | SA, TA, UA (A, B, C) | water | water | 18.0 | 554 | Chemie (HOH) |
Sequence modifications
A: 1 - 100 (UniProt: P41022)
C: 1 - 570 (UniProt: P41020)
| PDB | External Database | Details |
|---|---|---|
| Ala 20 | Leu 20 | variant |
| Lys 22 | Arg 22 | variant |
| PDB | External Database | Details |
|---|---|---|
| Tyr 35 | - | insertion |
| - | Val 42 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 86239.6 | |
| Non-Polymers* | Number of molecules | 41 |
| Total formula weight | 3096.1 | |
| All* | Total formula weight | 89335.7 |
