MolNFT v1 · #101568 · protein
Predicting protein conformational response in prospective ligand discovery.
4NVB · Cytochrome C peroxidase: “Predicting protein conformational response in prospective ligand discovery.”. X-ray diffraction, 2 ligands (25T, HEM), 2 pockets (best druggability 0.81). MolNFT v1 #101568 on GenesisL1: 3D structure…
- PDB
- 4NVB
- Type
- protein
- Length
- 289 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome C peroxidase
- UniProt
- B3LRE1
- Ligands
- 25T, HEM
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome C peroxidase | protein | 289 | 51% helix, 9% strand | B3LRE1 |
Ligands and binding sites
- 25T · 2-amino-5-methylthiazole · ligand · 2 copies · chains A
- 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 | 396 | 0.81 | 0.90 | 53 | HEM, 25T |
| 2 | 92 | 0.42 | 0.79 | 18 | empty |
Compared structures
- 4NVB · 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 4NVB · PDBe 4NVB · UniProt B3LRE1
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