MolNFT v1 · #163612 · protein
Fumarate hydratase of mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-methoxy-5-((1,2,4,5-tetrahydro- 3H-BENZO[D]AZEPIN-3-YL)SULFONYL)PHENYL)-2-(4-oxo-3,4- dihydrophthalazin-1-YL)ACETAMIDE
6S88: “Fumarate hydratase of mycobacterium tuberculosis in complex with formate and allosteric modulator…”. X-ray diffraction, 2 ligands (L0K, MG). MolNFT v1 #163612 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6S88
- Type
- protein
- Length
- 1,807 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- A0A045IXZ8
- Ligands
- L0K, MG
Structure
x-ray diffraction · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 450 | — | A0A045IXZ8 |
| B | — | protein | 458 | — | A0A045IXZ8 |
| C | — | protein | 451 | — | A0A045IXZ8 |
| D | — | protein | 448 | — | A0A045IXZ8 |
Ligands and binding sites
- L0K · ~{N}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide · ligand · 2 copies · chains A, C
- MG · Magnesium ion · metal · chains B
- FMT · Formic acid · additive · chains B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6S88 · Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A045IXZ8
- Elsewhere: RCSB PDB 6S88 · PDBe 6S88 · UniProt A0A045IXZ8
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