MolNFT v1 · #90420 · protein
Crystal structure of an enoyl-(acyl carrier protein) reductase from bartonella henselae
4EIT · Enoyl-[acyl-carrier-protein] reductase [NADH]: “Crystal structure of an enoyl-(acyl carrier protein) reductase from bartonella henselae”. X-ray diffraction, 18 pockets (best druggability 0.84). MolNFT v1 #90420 on GenesisL1: 3D…
- PDB
- 4EIT
- Type
- protein
- Length
- 1,494 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-[acyl-carrier-protein] reductase [NADH]
- EC
- 1.3.1.9
- UniProt
- Q6G4D5
- Pockets
- 18 · best druggability 0.84
Structure
x-ray diffraction · 6 distinct chains · 51% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 249 | 51% helix, 16% strand | Q6G4D5 |
| B | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 248 | 50% helix, 17% strand | Q6G4D5 |
| C | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 250 | 50% helix, 16% strand | Q6G4D5 |
| D | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 249 | 50% helix, 18% strand | Q6G4D5 |
| E | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 248 | 51% helix, 18% strand | Q6G4D5 |
| F | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 250 | 51% helix, 16% strand | Q6G4D5 |
Pockets
18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1173 | 0.84 | 0.85 | 52 | empty |
| 2 | 1183 | 0.83 | 0.84 | 135 | empty |
| 3 | 636 | 0.70 | 0.78 | 45 | empty |
| 4 | 552 | 0.69 | 0.78 | 41 | empty |
| 5 | 575 | 0.69 | 0.78 | 42 | empty |
Interfaces
11 interfaces between chains.
- A–C · 1589 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 1585 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 1574 Ų buried · 30 hydrogen bonds · protein-protein
- A–D · 1542 Ų buried · 29 hydrogen bonds · protein-protein
- E–F · 1518 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 42 modified (engineered).
Compared structures
- 4EIT · Crystal structure of an enoyl-(acyl carrier protein) reductase from Bartonella henselae · 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 Q6G4D5
- Elsewhere: RCSB PDB 4EIT · PDBe 4EIT · UniProt Q6G4D5
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