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MolNFT v1 · #142417 · protein

Crystal structure of cytochrome C' from shewanella violacea DSS12

6A3L: “Crystal structure of cytochrome C' from shewanella violacea DSS12”. X-ray diffraction, 1 ligand (HEC), 2 pockets (best druggability 0.63). MolNFT v1 #142417 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6A3L
Type
protein
Length
258 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C
UniProt
D4ZGZ2
Ligands
HEC
Pockets
2 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCytochrome Cprotein12971% helix, 2% strandD4ZGZ2

Ligands and binding sites

  • HEC · Heme C · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11900.630.8326HEC
21700.620.8328HEC

Interfaces

1 interface between chains.

  • A–B · 795 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor (heme c attachment).

Compared structures

  • 6A3L · Crystal structure of cytochrome c' from Shewanella violacea DSS12 · the same entry in another collection · chain A against A, TM-score 1.00

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