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S197C variant of human ferrochelatase.

Analyse S197C variant of human ferrochelatase. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4MK4
Type
protein
Length
718 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferrochelatase, mitochondrial
EC
4.99.1.1
UniProt
P22830
Ligands
CHD, FES
Pockets
10 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFerrochelatase, mitochondrial (EC 4.99.1.1)protein35947% helix, 14% strandP22830

Ligands and binding sites

  • CHD · Cholic acid · ligand · 5 copies · chains A, B
  • FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11070.790.9834GOL
27680.780.8260CHD
36840.760.8160CHD
4850.650.9124FES
5920.630.9027FES

Interfaces

1 interface between chains.

  • A–B · 1955 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

  • 4MK4 · S197C variant of human ferrochelatase. · the same entry in another collection · chain A against A, TM-score 1.00
  • P22830 · AlphaFold monomer V2.0 prediction for ferrochelatase, mitochondrial (P22830) · a predicted model of the same protein · chain A against A, TM-score 0.99

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