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 | 3-dehydroquinate dehydratase | polymer | 153 | 16598.8 | 1 | UniProt (P0A4Z6) Pfam (PF01220) UniProt (by SIFTS) (P9WPX7) In PDB | Mycobacterium tuberculosis | 3-dehydroquinase, Type II DHQase |
2 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
3 | A | 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid | non-polymer | 291.2 | 1 | Chemie (KIJ) | |||
4 | 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 |