MolNFT v1 · #115856 · protein
Crystal structure of epoxide hydrolase a from mycobacterium thermoresistibile
5CW2 · Putative epoxide hydrolase epha: “Crystal structure of epoxide hydrolase a from mycobacterium thermoresistibile”. X-ray diffraction, 2 ligands (BSU, NA), 14 pockets (best druggability 0.85). MolNFT v1 #115856 on GenesisL1: 3D…
- PDB
- 5CW2
- Type
- protein
- Length
- 1,276 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative epoxide hydrolase epha
- EC
- 3.3.2.3
- UniProt
- G7CF24
- Ligands
- BSU, NA
- Pockets
- 14 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, A, B, D | Putative epoxide hydrolase epha (EC 3.3.2.3) | protein | 319 | 43% helix, 16% strand | G7CF24 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1099 | 0.85 | 0.86 | 104 | BSU |
| 2 | 375 | 0.83 | 0.92 | 41 | empty |
| 3 | 687 | 0.82 | 0.86 | 64 | BSU |
| 4 | 677 | 0.82 | 0.86 | 63 | BSU |
| 5 | 358 | 0.77 | 0.87 | 37 | empty |
Interfaces
3 interfaces between chains.
- C–A · 944 Ų buried · 16 hydrogen bonds · protein-protein
- C–B · 495 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 282 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5CW2 · Crystal structure of Epoxide Hydrolase A from Mycobacterium thermoresistibile · the same entry in another collection · chain C against C, 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 G7CF24
- Elsewhere: RCSB PDB 5CW2 · PDBe 5CW2 · UniProt G7CF24
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