MolNFT v1 · #41547 · protein
Solution model of crosslinked complex of cytochrome C and adrenodoxin
2JQR · Cytochrome C iso-1: “Solution model of crosslinked complex of cytochrome C and adrenodoxin”. Solution nmr, 2 ligands (HEC, FES), 2 pockets (best druggability 0.79). MolNFT v1 #41547 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2JQR
- Type
- protein
- Length
- 211 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome C iso-1; Adrenodoxin, mitochondrial
- UniProt
- P00044, P00257
- Ligands
- HEC, FES
- Pockets
- 2 · best druggability 0.79
Structure
solution nmr · 2 distinct chains · 33% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome C iso-1 | protein | 108 | 42% helix, 2% strand | P00044 |
| B | Adrenodoxin, mitochondrial | protein | 103 | 23% helix, 23% strand | P00257 |
Ligands and binding sites
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 | 239 | 0.79 | 0.91 | 38 | HEC |
| 2 | 74 | 0.34 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 286 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 cofactor, 1 disulfide (heme c attachment, disulfide).
Compared structures
- 2JQR · Solution model of crosslinked complex of cytochrome c and adrenodoxin · the same entry in another collection · chain A against A, TM-score 1.00
- P00257 · AlphaFold monomer V2.0 prediction for adrenodoxin, mitochondrial (P00257) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P00044 · AlphaFold monomer V2.0 prediction for cytochrome C isoform 1 (P00044) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P00044
- Every structure of UniProt P00257
- Elsewhere: RCSB PDB 2JQR · PDBe 2JQR · UniProt P00044 · UniProt P00257
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