MolNFT v1 · #48252 · protein
Crystal structure of human ferrochelatase mutant with phe 337 replaced by ala
2PNJ · Ferrochelatase, mitochondrial: “Crystal structure of human ferrochelatase mutant with phe 337 replaced by ala”. X-ray diffraction, 2 ligands (CHD, FES), 10 pockets (best druggability 0.78). MolNFT v1 #48252 on GenesisL1: 3D…
- PDB
- 2PNJ
- Type
- protein
- Length
- 711 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 0.78
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrochelatase, mitochondrial (EC 4.99.1.1) | protein | 355 | 50% helix, 15% strand | P22830 |
| B | Ferrochelatase, mitochondrial (EC 4.99.1.1) | protein | 356 | 49% helix, 15% strand | P22830 |
Ligands and binding sites
- CHD · Cholic acid · ligand · 6 copies · chains A, B
- FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 109 | 0.78 | 0.97 | 33 | empty |
| 2 | 699 | 0.78 | 0.82 | 78 | FES, CHD |
| 3 | 635 | 0.76 | 0.82 | 67 | CHD |
| 4 | 96 | 0.65 | 0.90 | 26 | FES |
| 5 | 253 | 0.59 | 0.79 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1862 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 2PNJ · Crystal structure of human ferrochelatase mutant with Phe 337 replaced by Ala · 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 B against A, TM-score 0.99
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 2PNJ · PDBe 2PNJ · UniProt P22830
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