5DUC
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C | Probable enoyl-CoA hydratase echA6 | polymer | 263 | 28230.2 | 3 | UniProt (P9WNP1) Pfam (PF00378) In PDB | Mycobacterium tuberculosis | |
2 | A, B, C | (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | non-polymer | 472.5 | 3 | Chemie (G51) | |||
3 | water | water | 18.0 | 109 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 243 (UniProt: P9WNP1)
PDB | External Database | Details |
---|---|---|
Met -19 | - | initiating methionine |
Gly -18 | - | expression tag |
Ser -17 | - | expression tag |
Ser -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
Ser -9 | - | expression tag |
Ser -8 | - | expression tag |
Gly -7 | - | expression tag |
Leu -6 | - | expression tag |
Val -5 | - | expression tag |
Pro -4 | - | expression tag |
Arg -3 | - | expression tag |
Gly -2 | - | expression tag |
Ser -1 | - | expression tag |
His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 3 |
Total formula weight | 84690.6 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 1417.4 | |
All* | Total formula weight | 86107.9 |