MolNFT v1 · #135197 · protein
Crystal structure of enoyl-(acyl carrier protein) reductase from burkholderia pseudomallei 1710B bound to NAD
5TRT · Enoyl-[acyl-carrier-protein] reductase [NADH]: “Crystal structure of enoyl-(acyl carrier protein) reductase from burkholderia pseudomallei 1710B bound to NAD”. X-ray diffraction, 1 ligand (NAD), 9 pockets (best druggability 0.84).…
- PDB
- 5TRT
- Type
- protein
- Length
- 1,019 residues
- Chains
- 4
- 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
- Q3JQY0
- Ligands
- NAD
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 259 | 48% helix, 17% strand | Q3JQY0 |
| B | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 251 | 47% helix, 17% strand | Q3JQY0 |
| C | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 255 | 47% helix, 17% strand | Q3JQY0 |
| D | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 254 | 48% helix, 17% strand | Q3JQY0 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 4 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 9 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1172 | 0.84 | 0.86 | 53 | EDO |
| 2 | 692 | 0.72 | 0.78 | 46 | NAD |
| 3 | 573 | 0.68 | 0.77 | 46 | NAD, EDO |
| 4 | 576 | 0.68 | 0.77 | 44 | NAD |
| 5 | 585 | 0.68 | 0.77 | 45 | NAD |
Interfaces
6 interfaces between chains.
- A–B · 1666 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 1641 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 1363 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 1335 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 705 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5TRT · Crystal Structure of enoyl-(acyl carrier protein) reductase from Burkholderia… · 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 Q3JQY0
- Elsewhere: RCSB PDB 5TRT · PDBe 5TRT · UniProt Q3JQY0
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