MolNFT v1 · #77250 · protein
Joint neutron and X-ray structure of cytochrome C peroxidase
3R99: “Joint neutron and X-ray structure of cytochrome C peroxidase”. Neutron diffraction; x-ray diffraction, 1 ligand (HEM), 2 pockets (best druggability 0.80). MolNFT v1 #77250 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3R99
- Type
- protein
- Length
- 293 residues
- Chains
- 1
- Method
- neutron diffraction; x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome C peroxidase
- EC
- 1.11.1.5
- UniProt
- P00431
- Ligands
- HEM
- Pockets
- 2 · best druggability 0.80
Structure
neutron diffraction; x-ray diffraction · 1 distinct chain · 49% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome C peroxidase (EC 1.11.1.5) | protein | 293 | 49% helix, 7% strand | P00431 |
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 | 360 | 0.80 | 0.89 | 46 | HEM |
| 2 | 94 | 0.41 | 0.77 | 17 | empty |
Compared structures
- 3R99 · Joint Neutron and X-ray structure of Cytochrome c peroxidase · the same entry in another collection · chain A against A, TM-score 1.00
- P00431 · AlphaFold monomer V2.0 prediction for cytochrome C peroxidase, mitochondrial (P00431) · a predicted model of the same protein · 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 P00431
- Elsewhere: RCSB PDB 3R99 · PDBe 3R99 · UniProt P00431
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