MolNFT v1 · #162693 · protein

Partially unfolded cytochrome C in complex with SULFONATOCALIX[6]ARENE

6RGI · Cytochrome C iso-1: “Partially unfolded cytochrome C in complex with SULFONATOCALIX[6]ARENE”. X-ray diffraction, 2 ligands (HEC, FWQ), 1 pocket (best druggability 0.60). MolNFT v1 #162693 on GenesisL1: 3D structure, binding sites…

PDB: 6RGI
Type: protein
Length: 92 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome C iso-1
UniProt: P00044
Ligands: HEC, FWQ
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome C iso-1	protein	92	36% helix, 7% strand	P00044

Ligands and binding sites

HEC · Heme C · ligand · chains A
FWQ · p-sulfonatocalix[6]arene · ligand · chains A
IMD · Imidazole · additive · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	166	0.60	0.83	26	HEC, IMD

Modifications

Observed in the structure: 2 cofactor (heme c attachment).

Compared structures

6RGI · Partially unfolded cytochrome c in complex with sulfonatocalix[6]arene · 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 0.88

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 6RGI · PDBe 6RGI · UniProt P00044

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