MolNFT v1 · #80731 · protein
The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from sinorhizobium meliloti
3U5T: “The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from sinorhizobium meliloti”. X-ray diffraction, 9 pockets (best druggability 0.67). MolNFT v1 #80731 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3U5T
- Type
- protein
- Length
- 905 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] reductase
- EC
- 1.1.1.100
- UniProt
- Q92W70
- Pockets
- 9 · best druggability 0.67
Structure
x-ray diffraction · 4 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 230 | 47% helix, 20% strand | Q92W70 |
| B | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 233 | 47% helix, 16% strand | Q92W70 |
| C | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 214 | 46% helix, 13% strand | Q92W70 |
| D | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 228 | 46% helix, 16% strand | Q92W70 |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 389 | 0.67 | 0.80 | 49 | empty |
| 2 | 634 | 0.66 | 0.76 | 52 | empty |
| 3 | 316 | 0.57 | 0.76 | 48 | empty |
| 4 | 133 | 0.42 | 0.75 | 24 | empty |
| 5 | 102 | 0.39 | 0.76 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1600 Ų buried · 29 hydrogen bonds · protein-protein
- B–D · 1594 Ų buried · 31 hydrogen bonds · protein-protein
- A–D · 408 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3U5T · The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from Sinorhizobium… · 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 Q92W70
- Elsewhere: RCSB PDB 3U5T · PDBe 3U5T · UniProt Q92W70
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