MolNFT v1 · #118131 · protein
Crystal structure of haloalkane dehalogenase (dcca) from caulobacter crescentus
5ESR: “Crystal structure of haloalkane dehalogenase (dcca) from caulobacter crescentus”. X-ray diffraction, 3 ligands (CO, MG, CL), 2 pockets (best druggability 0.69). MolNFT v1 #118131 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5ESR
- Type
- protein
- Length
- 308 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Haloalkane dehalogenase
- EC
- 3.8.1.5
- UniProt
- Q9A919
- Ligands
- CO, MG, CL
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Haloalkane dehalogenase (EC 3.8.1.5) | protein | 308 | 44% helix, 15% strand | Q9A919 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · 6 copies · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 297 | 0.69 | 0.83 | 43 | CO, CL |
| 2 | 81 | 0.40 | 0.78 | 18 | empty |
Compared structures
- 5ESR · Crystal structure of haloalkane dehalogenase (DccA) from Caulobacter crescentus · the same entry in another collection · chain A against A, TM-score 1.00
- Q9A919 · AlphaFold monomer V2.0 prediction for haloalkane dehalogenase (Q9A919) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9A919
- Elsewhere: RCSB PDB 5ESR · PDBe 5ESR · UniProt Q9A919
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