MolNFT v1 · #125665 · protein
Crystal structure of cytochrome C - bromo-TRISULFONATOCALIX[4]ARENE complexes
5LFT · Cytochrome C iso-1: “Crystal structure of cytochrome C - bromo-TRISULFONATOCALIX[4]ARENE complexes”. X-ray diffraction, 3 ligands (6VB, HEC, BR), 1 pocket (best druggability 0.77). MolNFT v1 #125665 on GenesisL1: 3D structure…
- PDB
- 5LFT
- Type
- protein
- Length
- 108 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome C iso-1
- UniProt
- P00044
- Ligands
- 6VB, HEC, BR
- Pockets
- 1 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome C iso-1 | protein | 108 | 42% helix, 2% strand | P00044 |
Ligands and binding sites
- 6VB · Bromo-trisulfonatocalix[4]arene · ligand · 3 copies · chains A
- HEC · Heme C · ligand · chains A
- BR · Bromide ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 197 | 0.77 | 0.91 | 34 | HEC |
Modifications
Observed in the structure: 2 cofactor (heme c attachment).
Compared structures
- 5LFT · Crystal structure of cytochrome c - Bromo-trisulfonatocalix[4]arene complexes · the same entry in another collection · chain A against A, TM-score 1.00
- 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 0.99
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
- Elsewhere: RCSB PDB 5LFT · PDBe 5LFT · UniProt P00044
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