MolNFT v1 · #180450 · protein
Crystal structure of C. difficile enoyl-acyl carrier protein reductase (fabk) in complex with an inhibitor
7L00: “Crystal structure of C. difficile enoyl-acyl carrier protein reductase (fabk) in complex with an inhibitor”. X-ray diffraction, 3 ligands (FMN, XCJ, NA). MolNFT v1 #180450 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7L00
- Type
- protein
- Length
- 1,251 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- A0A031WIF2
- Ligands
- FMN, XCJ, NA
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 310 | — | A0A031WIF2 |
| B | — | protein | 311 | — | A0A031WIF2 |
| C, D | — | protein | 315 | — | A0A031WIF2 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
- XCJ · N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide · ligand · 4 copies · chains A, B, C, D
- NA · Sodium ion · metal · 8 copies · chains A, B, C, D
- GOL · Glycerol · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7L00 · Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex… · 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 A0A031WIF2
- Elsewhere: RCSB PDB 7L00 · PDBe 7L00 · UniProt A0A031WIF2
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