Research workbench
Predicting protein conformational response in prospective ligand discovery.
Analyse Predicting protein conformational response in prospective ligand discovery. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OQ7
- Type
- protein
- Length
- 289 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome C peroxidase
- EC
- 1.11.1.5
- UniProt
- B3LRE1
- Ligands
- HEM
- Pockets
- 2 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome C peroxidase (EC 1.11.1.5) | protein | 289 | 51% helix, 9% strand | B3LRE1 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · 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 | 432 | 0.83 | 0.90 | 55 | HEM |
| 2 | 87 | 0.40 | 0.78 | 18 | empty |
Compared structures
- 4OQ7 · Predicting protein conformational response in prospective ligand discovery. · 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 4OQ7 · PDBe 4OQ7 · UniProt B3LRE1
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