MolNFT v1 · #136785 · protein
Crystal structure of the group II truncated hemoglobin from bacillus anthracis: TRP90LEU mutant
5V3U: “Crystal structure of the group II truncated hemoglobin from bacillus anthracis: TRP90LEU mutant”. X-ray diffraction, 3 ligands (HEM, SO4, CYN), 3 pockets (best druggability 0.84). MolNFT v1 #136785 on GenesisL1: 3D structure…
- PDB
- 5V3U
- Type
- protein
- Length
- 254 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Globin
- UniProt
- Q81TQ7
- Ligands
- HEM, SO4, CYN
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Globin | protein | 131 | 63% helix, 0% strand | Q81TQ7 |
| B | Globin | protein | 123 | 70% helix, 0% strand | Q81TQ7 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- CYN · Cyanide ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 472 | 0.84 | 0.90 | 46 | HEM, CYN |
| 2 | 339 | 0.77 | 0.87 | 28 | HEM, CYN |
| 3 | 79 | 0.31 | 0.73 | 15 | SO4 |
Interfaces
1 interface between chains.
- A–B · 947 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5V3U · Crystal Structure of the Group II Truncated Hemoglobin from Bacillus Anthracis: Trp90Leu… · 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 Q81TQ7
- Elsewhere: RCSB PDB 5V3U · PDBe 5V3U · UniProt Q81TQ7
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