MolNFT v1 · #58654 · protein
Cyanide bound chlorin substituted myoglobin
3BA2: “Cyanide bound chlorin substituted myoglobin”. X-ray diffraction, 3 ligands (HKL, SO4, CYN), 1 pocket (best druggability 0.72). MolNFT v1 #58654 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3BA2
- Type
- protein
- Length
- 152 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myoglobin
- UniProt
- P68082
- Ligands
- HKL, SO4, CYN
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 82% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myoglobin | protein | 152 | 82% helix, 0% strand | P68082 |
Ligands and binding sites
- HKL · Fe(III) pyropheophorbide-a methyl ester · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- CYN · Cyanide ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 245 | 0.72 | 0.86 | 27 | CYN, HKL |
Compared structures
- 3BA2 · Cyanide bound Chlorin substituted Myoglobin · the same entry in another collection · chain A against A, TM-score 1.00
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 P68082
- Elsewhere: RCSB PDB 3BA2 · PDBe 3BA2 · UniProt P68082
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