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Crystal structure of VAL61HIS mutant of trypsin-solubilized fragment of cytochrome B5

Analyse Crystal structure of VAL61HIS mutant of trypsin-solubilized fragment of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1ES1
Type
protein
Length
82 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome B5
UniProt
P00171
Ligands
HEM
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome B5protein8234% helix, 22% strandP00171

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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11310.630.8620HEM

Compared structures

  • 1ES1 · Crystal structure of VAL61HIS mutant of trypsin-solubilized fragment of cytochrome B5 · the same entry in another collection · chain A against A, TM-score 1.00
  • P00171 · AlphaFold monomer V2.0 prediction for cytochrome B5 (P00171) · a predicted model of the same protein · chain A against A, TM-score 0.97

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