3ARQ
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with IDARUBICIN
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Chitinase A | polymer | 584 | 63841.8 | 1 | UniProt (Q9AMP1) | Vibrio harveyi | |
| 2 | B (A) | IDARUBICIN | non-polymer | 497.5 | 1 | Chemie (DM5) PubChem (29982239) PubChem (151582) PubChem (151583) PubChem (29982236) PubChem (58076509) PubChem (58300583) PubChem (58649029) PubChem (58789983) PubChem (58984298) PubChem (68022661) PubChem (68028767) PubChem (69964959) PubChem (70687154) PubChem (71627427) PubChem (71627428) PubChem (60060492) PubChem (3042870) PubChem (67176143) PubChem (89728273) PubChem (3685) PubChem (42594) PubChem (42890) PubChem (71296909) PubChem (92209286) PubChem (93622047) PubChem (92209285) PubChem (92209287) PubChem (92209288) PubChem (124870305) PubChem (129012220) PubChem (117987042) PubChem (10006064) PubChem (124094061) PubChem (15573193) PubChem (15573190) PubChem (15573184) PubChem (15573186) PubChem (15573188) PubChem (15573189) PubChem (15573192) PubChem (15573195) PubChem (124870303) PubChem (124870304) PubChem (124870306) PubChem (161683841) PubChem (129396004) PubChem (134694237) PubChem (137705738) PubChem (143329983) PubChem (149196763) PubChem (161683840) | |||
| 3 | C, D, E (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) PubChem (753) | |||
| 4 | F (A) | water | water | 18.0 | 826 | Chemie (HOH) |
Sequence modifications
A: 22 - 597 (UniProt: Q9AMP1)
| PDB | External Database | Details |
|---|---|---|
| Arg 598 | - | expression tag |
| Ser 599 | - | expression tag |
| His 600 | - | expression tag |
| His 601 | - | expression tag |
| His 602 | - | expression tag |
| His 603 | - | expression tag |
| His 604 | - | expression tag |
| His 605 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 63841.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 773.8 | |
| All* | Total formula weight | 64615.5 |
