MolNFT v1 · #37499 · protein
Cyanide binding and heme cavity conformational transitions in drosophila melanogaster hexa-coordinate hemoglobin
2G3H: “Cyanide binding and heme cavity conformational transitions in drosophila melanogaster hexa-coordinate…”. X-ray diffraction, 4 ligands (HEM, MG, CL), 1 pocket (best druggability 0.66). MolNFT v1 #37499 on GenesisL1: 3D structure…
- PDB
- 2G3H
- Type
- protein
- Length
- 153 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Globin
- Ligands
- HEM, MG, CL, CYN
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 76% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Globin | protein | 153 | 76% helix, 1% strand | — |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 2 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 | 248 | 0.66 | 0.83 | 33 | CYN, HEM |
Compared structures
- 2G3H · Cyanide Binding and Heme Cavity Conformational Transitions in Drosophila melanogaster… · 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
- Elsewhere: RCSB PDB 2G3H · PDBe 2G3H
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