MolNFT v1 · #25452 · protein
Crystal structure analysis of plasmodium falciparum enoyl-acyl- carrier-protein reductase with NADH
1VRW · Enoyl-acyl carrier reductase: “Crystal structure analysis of plasmodium falciparum enoyl-acyl- carrier-protein reductase with NADH”. X-ray diffraction, 1 ligand (NAI), 5 pockets (best druggability 0.82). MolNFT v1 #25452 on…
- PDB
- 1VRW
- Type
- protein
- Length
- 578 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-acyl carrier reductase
- EC
- 1.3.1.9
- UniProt
- Q9BH77
- Ligands
- NAI
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Enoyl-acyl carrier reductase (EC 1.3.1.9) | protein | 289 | 48% helix, 17% strand | Q9BH77 |
Ligands and binding sites
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 509 | 0.82 | 0.88 | 47 | NAI |
| 2 | 553 | 0.80 | 0.86 | 51 | NAI |
| 3 | 209 | 0.59 | 0.80 | 25 | empty |
| 4 | 177 | 0.55 | 0.80 | 24 | empty |
| 5 | 284 | 0.54 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1686 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 1VRW · Crystal structure analysis of plasmodium falciparum enoyl-acyl-carrier-protein reductase… · 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 Q9BH77
- Elsewhere: RCSB PDB 1VRW · PDBe 1VRW · UniProt Q9BH77
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