MolNFT v1 · #140507 · protein
X-ray structure of enoyl-acyl carrier protein reductase from bacillus anthracis (apo form)
5YCV · Enoyl-[acyl-carrier-protein] reductase [NADH] fabi: “X-ray structure of enoyl-acyl carrier protein reductase from bacillus anthracis (apo form)”. X-ray diffraction, 12 pockets (best druggability 0.84). MolNFT v1 #140507 on…
- PDB
- 5YCV
- Type
- protein
- Length
- 1,010 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-[acyl-carrier-protein] reductase [NADH] fabi
- EC
- 1.3.1.9
- UniProt
- Q81GI3
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 256 | 47% helix, 16% strand | Q81GI3 |
| B | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 248 | 49% helix, 17% strand | Q81GI3 |
| D | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 250 | 49% helix, 17% strand | Q81GI3 |
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1131 | 0.84 | 0.85 | 67 | empty |
| 2 | 682 | 0.73 | 0.79 | 66 | empty |
| 3 | 474 | 0.72 | 0.81 | 61 | empty |
| 4 | 466 | 0.71 | 0.81 | 45 | empty |
| 5 | 464 | 0.68 | 0.79 | 43 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1820 Ų buried · 34 hydrogen bonds · protein-protein
- A–D · 1780 Ų buried · 31 hydrogen bonds · protein-protein
- B–D · 1498 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1492 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 378 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5YCV · X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis (Apo form) · the same entry in another collection · chain D against D, TM-score 1.00
- Q81GI3 · AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase [NADH] fabi… · a predicted model of the same protein · chain B 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 Q81GI3
- Elsewhere: RCSB PDB 5YCV · PDBe 5YCV · UniProt Q81GI3
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