5F91
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator (N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide)
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, D | Fumarate hydratase class II | polymer | 495 | 52619.3 | 4 | UniProt (P9WN92) Pfam (PF00206) Pfam (PF10415) UniProt (by SIFTS) (P9WN93) In PDB | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Fumarase C |
2 | A, C | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide | non-polymer | 470.5 | 2 | Chemie (5WJ) | |||
3 | A, B, D | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
4 | B | FORMIC ACID | non-polymer | 46.0 | 1 | Chemie (FMT) | |||
5 | water | water | 18.0 | 1549 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 2 - 474 (UniProt: P9WN92)
PDB | External Database | Details |
---|---|---|
Met -20 | - | initiating methionine |
His -19 | - | expression tag |
His -18 | - | expression tag |
His -17 | - | expression tag |
His -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
Ser -13 | - | expression tag |
Ser -12 | - | expression tag |
Gly -11 | - | expression tag |
Val -10 | - | expression tag |
Asp -9 | - | expression tag |
Leu -8 | - | expression tag |
Gly -7 | - | expression tag |
Thr -6 | - | expression tag |
Glu -5 | - | expression tag |
Asn -4 | - | expression tag |
Leu -3 | - | expression tag |
Tyr -2 | - | expression tag |
Phe -1 | - | expression tag |
Gln 0 | - | expression tag |
Ser 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 210477.4 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 1164.4 | |
All* | Total formula weight | 211641.7 |