MolNFT v1 · #73953 · protein
Crystal structure of enoyl-acp reductases III (fabl) from B. subtilis (apo form)
3OIC · Enoyl-[acyl-carrier-protein] reductase [NADPH]: “Crystal structure of enoyl-acp reductases III (fabl) from B. subtilis (apo form)”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.77). MolNFT v1 #73953 on…
- PDB
- 3OIC
- Type
- protein
- Length
- 499 residues
- Chains
- 2
- 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
- SO4
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-[acyl-carrier-protein] reductase [NADPH] (EC 1.3.1.10) | protein | 247 | 47% helix, 18% strand | P71079 |
| D | Enoyl-[acyl-carrier-protein] reductase [NADPH] (EC 1.3.1.10) | protein | 252 | 46% helix, 17% strand | P71079 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.77 | 0.95 | 31 | empty |
| 2 | 258 | 0.75 | 0.88 | 45 | empty |
| 3 | 455 | 0.70 | 0.81 | 57 | empty |
| 4 | 243 | 0.66 | 0.83 | 40 | empty |
| 5 | 82 | 0.54 | 0.86 | 24 | empty |
Interfaces
1 interface between chains.
- A–D · 2142 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3OIC · Crystal Structure of Enoyl-ACP Reductases III (FabL) from B. subtilis (apo form) · the same entry in another collection · chain A against A, 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 A against A, TM-score 0.81
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 3OIC · PDBe 3OIC · UniProt P71079
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