Research workbench
E343Q variant of human ferrochelatase
Analyse E343Q 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
- 4KLR
- 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, BCT, HEM, FES, CL
- Pockets
- 11 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ferrochelatase, mitochondrial (EC 4.99.1.1) | protein | 359 | 49% helix, 14% strand | P22830 |
Ligands and binding sites
- CHD · Cholic acid · ligand · 5 copies · chains A, B
- BCT · Bicarbonate ion · ligand · 2 copies · chains A, B
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- IMD · Imidazole · additive · 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
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.81 | 0.98 | 34 | GOL |
| 2 | 767 | 0.78 | 0.82 | 53 | IMD, BCT, CHD, HEM |
| 3 | 681 | 0.77 | 0.82 | 62 | IMD, BCT, CHD, HEM |
| 4 | 85 | 0.64 | 0.91 | 28 | FES |
| 5 | 274 | 0.60 | 0.79 | 28 | CHD |
Interfaces
1 interface between chains.
- A–B · 1871 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
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 P22830
- Elsewhere: RCSB PDB 4KLR · PDBe 4KLR · UniProt P22830
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