MolNFT v1 · #93375 · protein
Mutant M58C of nostoc sp cytochrome C6
4H0J: “Mutant M58C of nostoc sp cytochrome C6”. X-ray diffraction, 1 ligand (HEC), 7 pockets (best druggability 0.89). MolNFT v1 #93375 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4H0J
- Type
- protein
- Length
- 516 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome C6
- UniProt
- P0A3X7
- Ligands
- HEC
- Pockets
- 7 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Cytochrome C6 | protein | 86 | 60% helix, 5% strand | P0A3X7 |
Ligands and binding sites
- HEC · Heme C · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 982 | 0.89 | 0.91 | 116 | HEC |
| 2 | 260 | 0.73 | 0.87 | 35 | HEC |
| 3 | 266 | 0.73 | 0.86 | 38 | HEC |
| 4 | 231 | 0.73 | 0.87 | 28 | HEC |
| 5 | 233 | 0.71 | 0.86 | 30 | HEC |
Interfaces
12 interfaces between chains.
- B–F · 439 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 428 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 428 Ų buried · 2 hydrogen bonds · protein-protein
- C–E · 426 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 328 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 cofactor (heme c attachment).
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 P0A3X7
- Elsewhere: RCSB PDB 4H0J · PDBe 4H0J · UniProt P0A3X7
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