MolNFT v1 · #152333 · protein
Crystal structure of heme a synthase from bacillus subtilis
6IED: “Crystal structure of heme a synthase from bacillus subtilis”. X-ray diffraction, 3 ligands (HEM, CU, SO4), 6 pockets (best druggability 0.79). MolNFT v1 #152333 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IED
- Type
- protein
- Length
- 309 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme a synthase
- EC
- 1.3.-.-
- UniProt
- P12946
- Ligands
- HEM, CU, SO4
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heme a synthase (EC 1.3.-.-) | protein | 309 | 72% helix, 1% strand | P12946 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- CU · Copper (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 326 | 0.79 | 0.89 | 35 | HEM |
| 2 | 182 | 0.59 | 0.82 | 29 | empty |
| 3 | 119 | 0.51 | 0.80 | 14 | OLC |
| 4 | 140 | 0.41 | 0.74 | 24 | OLC |
| 5 | 108 | 0.36 | 0.74 | 23 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
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 P12946
- Elsewhere: RCSB PDB 6IED · PDBe 6IED · UniProt P12946
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