4KIJ
Design and structural analysis of aromatic inhibitors of type II dehydroquinase dehydratase from Mycobacterium tuberculosis - compound 35c [3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid]
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 3-dehydroquinate dehydratase | polymer | 153 | 16598.8 | 1 | UniProt (P0A4Z6) Pfam (PF01220) UniProt (by SIFTS) (P9WPX7) | Mycobacterium tuberculosis | 3-dehydroquinase, Type II DHQase |
| 2 | B (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 3 | C (A) | 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid | non-polymer | 291.2 | 1 | Chemie (KIJ) | |||
| 4 | D (A) | water | water | 18.0 | 30 | Chemie (HOH) |
Sequence modifications
A: 0 - 146 (UniProt: P0A4Z6)
| PDB | External Database | Details |
|---|---|---|
| Leu -6 | - | expression tag |
| Tyr -5 | - | expression tag |
| Phe -4 | - | expression tag |
| Gln -3 | - | expression tag |
| Ser -2 | - | expression tag |
| His -1 | - | expression tag |
| Ala 17 | Gly 18 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 16598.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 326.7 | |
| All* | Total formula weight | 16925.5 |
