MolNFT v1 · #73954 · protein
Crystal structure of enoyl-acp reductases III (fabl) from B. subtilis (complex with NADP and tcl)
3OID · Enoyl-[acyl-carrier-protein] reductase [NADPH]: “Crystal structure of enoyl-acp reductases III (fabl) from B. subtilis (complex with NADP and tcl)”. X-ray diffraction, 2 ligands (TCL, NDP), 11 pockets (best druggability 0.83).…
- PDB
- 3OID
- Type
- protein
- Length
- 996 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-[acyl-carrier-protein] reductase [NADPH]
- EC
- 1.3.1.10
- UniProt
- P71079
- Ligands
- TCL, NDP
- Pockets
- 11 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 50% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-[acyl-carrier-protein] reductase [NADPH] (EC 1.3.1.10) | protein | 249 | 50% helix, 17% strand | P71079 |
| B | Enoyl-[acyl-carrier-protein] reductase [NADPH] (EC 1.3.1.10) | protein | 251 | 50% helix, 17% strand | P71079 |
| C, D | Enoyl-[acyl-carrier-protein] reductase [NADPH] (EC 1.3.1.10) | protein | 248 | 51% helix, 17% strand | P71079 |
Ligands and binding sites
- TCL · Triclosan · ligand · 4 copies · chains A, B, C, D
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1083 | 0.83 | 0.84 | 66 | empty |
| 2 | 556 | 0.82 | 0.88 | 58 | TCL, NDP |
| 3 | 555 | 0.82 | 0.88 | 59 | TCL, NDP |
| 4 | 560 | 0.82 | 0.87 | 57 | TCL, NDP |
| 5 | 554 | 0.81 | 0.87 | 56 | TCL, NDP |
Interfaces
6 interfaces between chains.
- B–C · 1684 Ų buried · 22 hydrogen bonds · protein-protein
- A–D · 1676 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1294 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 1283 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 615 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3OID · Crystal Structure of Enoyl-ACP Reductases III (FabL) from B. subtilis (complex with NADP… · the same entry in another collection · chain D against D, TM-score 1.00
- P71079 · AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase [NADPH] fabl… · a predicted model of the same protein · chain C against A, TM-score 0.99
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 P71079
- Elsewhere: RCSB PDB 3OID · PDBe 3OID · UniProt P71079
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.