MolNFT v1 · #59706 · protein
Tetrameric cytochrome CB562 (H59/D62/H63/H73/A74/H77) assembly stabilized by interprotein zinc coordination
3C62 · Soluble cytochrome B562: “Tetrameric cytochrome CB562 (H59/D62/H63/H73/A74/H77) assembly stabilized by interprotein zinc coordination”. X-ray diffraction, 3 ligands (HEM, CA, ZN), 10 pockets (best druggability 0.87). MolNFT v1…
- PDB
- 3C62
- Type
- protein
- Length
- 424 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble cytochrome B562
- UniProt
- P0ABE7
- Ligands
- HEM, CA, ZN
- Pockets
- 10 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Soluble cytochrome B562 | protein | 106 | 80% helix, 0% strand | P0ABE7 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- CA · Calcium ion · metal · 5 copies · chains A, B, D
- ZN · Zinc ion · metal · 4 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1049 | 0.87 | 0.88 | 111 | empty |
| 2 | 107 | 0.69 | 0.92 | 17 | empty |
| 3 | 103 | 0.65 | 0.90 | 19 | empty |
| 4 | 85 | 0.65 | 0.91 | 18 | empty |
| 5 | 105 | 0.60 | 0.87 | 18 | empty |
Interfaces
6 interfaces between chains.
- A–D · 675 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 656 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 602 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 547 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 91 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 cofactor (heme attachment).
Compared structures
- 3C62 · Tetrameric Cytochrome cb562 (H59/D62/H63/H73/A74/H77) Assembly Stabilized by Interprotein… · the same entry in another collection · chain D against D, 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 3C62 · PDBe 3C62 · UniProt P0ABE7
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