Research workbench
Ccp gateless cavity
Analyse Ccp gateless cavity in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5UG2
- Type
- protein
- Length
- 289 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxidase
- EC
- 1.11.1.-
- UniProt
- B3LRE1
- Ligands
- HEM, 86J
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxidase (EC 1.11.1.-) | protein | 289 | 51% helix, 8% strand | B3LRE1 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 86J · 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine · ligand · 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 | 496 | 0.82 | 0.89 | 58 | HEM, 86J |
| 2 | 85 | 0.39 | 0.77 | 16 | empty |
Compared structures
- 5UG2 · CcP gateless cavity · 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 B3LRE1
- Elsewhere: RCSB PDB 5UG2 · PDBe 5UG2 · UniProt B3LRE1
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