MolNFT v1 · #123128 · protein
Yersinia pestis fabv variant T276G
5JAI · Enoyl-[acyl-carrier-protein] reductase [NADH]: “Yersinia pestis fabv variant T276G”. X-ray diffraction, 1 ligand (NAI), 2 pockets (best druggability 0.82). MolNFT v1 #123128 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5JAI
- Type
- protein
- Length
- 405 residues
- Chains
- 1
- 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
- Q8Z9U1
- Ligands
- NAI
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 405 | 43% helix, 18% strand | Q8Z9U1 |
Ligands and binding sites
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1052 | 0.82 | 0.83 | 85 | NAI, DMS, MES |
| 2 | 63 | 0.39 | 0.79 | 17 | empty |
Compared structures
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 Q8Z9U1
- Elsewhere: RCSB PDB 5JAI · PDBe 5JAI · UniProt Q8Z9U1
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