MolNFT v1 · #148541 · protein
Crystal structure of cold-adapted haloalkane dehalogenase dpca from psychrobacter cryohalolentis K5
6F9O: “Crystal structure of cold-adapted haloalkane dehalogenase dpca from psychrobacter cryohalolentis K5”. X-ray diffraction, 2 ligands (NA, CL), 3 pockets (best druggability 0.60). MolNFT v1 #148541 on GenesisL1: 3D structure, binding…
- PDB
- 6F9O
- Type
- protein
- Length
- 309 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Haloalkane dehalogenase
- EC
- 3.8.1.5
- UniProt
- Q1QBB9
- Ligands
- NA, CL
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Haloalkane dehalogenase (EC 3.8.1.5) | protein | 309 | 41% helix, 17% strand | Q1QBB9 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 139 | 0.60 | 0.84 | 30 | CL |
| 2 | 173 | 0.48 | 0.76 | 25 | empty |
| 3 | 51 | 0.26 | 0.74 | 16 | empty |
Compared structures
- 6F9O · Crystal structure of cold-adapted haloalkane dehalogenase DpcA from Psychrobacter… · the same entry in another collection · chain A against A, TM-score 1.00
- Q1QBB9 · AlphaFold monomer V2.0 prediction for haloalkane dehalogenase (Q1QBB9) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q1QBB9
- Elsewhere: RCSB PDB 6F9O · PDBe 6F9O · UniProt Q1QBB9
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