MolNFT v1 · #30428 · protein
Improvement of the 2.5 ångströms resolution model of cytochrome B562 by redetermining the primary structure and using molecular graphics
256B: “Improvement of the 2.5 ångströms resolution model of cytochrome B562 by redetermining the primary structure…”. X-ray diffraction, 2 ligands (HEM, SO4), 2 pockets (best druggability 0.70). MolNFT v1 #30428 on GenesisL1: 3D structure…
- PDB
- 256B
- Type
- protein
- Length
- 212 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome B562
- UniProt
- P0ABE7
- Ligands
- HEM, SO4
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cytochrome B562 | protein | 106 | 79% helix, 0% strand | P0ABE7 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 187 | 0.70 | 0.87 | 22 | HEM |
| 2 | 188 | 0.68 | 0.86 | 23 | HEM |
Interfaces
1 interface between chains.
- A–B · 344 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 256B · Improvement of the 2.5 ångströms resolution model of cytochrome B562 by redetermining the… · the same entry in another collection · chain A against A, TM-score 1.00
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P0ABE7
- Elsewhere: RCSB PDB 256B · PDBe 256B · UniProt P0ABE7
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