MolNFT v1 · #85074 · protein
Apo-structure of 2-octenoyl-CoA carboxylase reductase cinf from streptomyces sp.
4A10 · Octenoyl-CoA REDUCTASE/CARBOXYLASE: “Apo-structure of 2-octenoyl-CoA carboxylase reductase cinf from streptomyces sp.”. X-ray diffraction, 19 pockets (best druggability 0.84). MolNFT v1 #85074 on GenesisL1: 3D structure, binding…
- PDB
- 4A10
- Type
- protein
- Length
- 1,686 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Octenoyl-CoA REDUCTASE/CARBOXYLASE
- UniProt
- F0V3Z3
- Pockets
- 19 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Octenoyl-CoA REDUCTASE/CARBOXYLASE | protein | 424 | 35% helix, 21% strand | F0V3Z3 |
| B | Octenoyl-CoA REDUCTASE/CARBOXYLASE | protein | 428 | 36% helix, 20% strand | F0V3Z3 |
| C | Octenoyl-CoA REDUCTASE/CARBOXYLASE | protein | 417 | 35% helix, 21% strand | F0V3Z3 |
| D | Octenoyl-CoA REDUCTASE/CARBOXYLASE | protein | 417 | 34% helix, 21% strand | F0V3Z3 |
Pockets
19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 956 | 0.84 | 0.85 | 109 | empty |
| 2 | 924 | 0.83 | 0.85 | 93 | empty |
| 3 | 98 | 0.77 | 0.98 | 18 | empty |
| 4 | 90 | 0.77 | 0.98 | 19 | empty |
| 5 | 702 | 0.75 | 0.80 | 62 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1308 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 1301 Ų buried · 29 hydrogen bonds · protein-protein
- B–C · 1050 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 880 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 640 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4A10 · Apo-structure of 2-octenoyl-CoA carboxylase reductase CinF from streptomyces sp. · 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 F0V3Z3
- Elsewhere: RCSB PDB 4A10 · PDBe 4A10 · UniProt F0V3Z3
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