MolNFT v1 · #154206 · protein
Crystal structure of class I pha synthase (phac) mutant from chromobacterium sp. USM2 bound to coenzyme a.
6K3C · Intracellular polyhydroxyalkanoate synthase: “Crystal structure of class I pha synthase (phac) mutant from chromobacterium sp. USM2 bound to coenzyme a.”. X-ray diffraction, 1 ligand (COA), 5 pockets (best druggability 0.74). MolNFT…
- PDB
- 6K3C
- Type
- protein
- Length
- 739 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Intracellular polyhydroxyalkanoate synthase
- UniProt
- E1APK1
- Ligands
- COA
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Intracellular polyhydroxyalkanoate synthase | protein | 388 | 36% helix, 18% strand | E1APK1 |
| B | Intracellular polyhydroxyalkanoate synthase | protein | 351 | 33% helix, 19% strand | E1APK1 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.74 | 0.98 | 20 | empty |
| 2 | 375 | 0.70 | 0.82 | 51 | empty |
| 3 | 150 | 0.59 | 0.83 | 24 | empty |
| 4 | 103 | 0.40 | 0.76 | 23 | empty |
| 5 | 74 | 0.29 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 994 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6K3C · Crystal structure of class I PHA synthase (PhaC) mutant from Chromobacterium sp. USM2… · 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 E1APK1
- Elsewhere: RCSB PDB 6K3C · PDBe 6K3C · UniProt E1APK1
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