MolNFT v2 · #144421 · protein
E45A mutant of HIV-1 capsid protein (other crystal form)
6B2J: “E45A mutant of HIV-1 capsid protein (other crystal form)”. X-ray diffraction at 2.21, 2 ligands (IOD, CL), 2 pockets (best druggability 0.33). MolNFT v2 #144421 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6B2J
- Type
- protein
- Length
- 221 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.21
- Source
- Human immunodeficiency virus 1
- Molecule
- HIV-1 capsid protein
- UniProt
- B6DRA0
- Ligands
- IOD, CL
- Pockets
- 2 · best druggability 0.33
Structure
x-ray diffraction · resolution 2.21 · 1 distinct chain · 60% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HIV-1 capsid protein | protein | 221 | 60% helix, 3% strand | B6DRA0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.33 | 0.77 | 16 | empty |
| 2 | 57 | 0.28 | 0.74 | 15 | empty |
Compared structures
- 6B2J · E45A mutant of HIV-1 capsid protein (other crystal form) · 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 B6DRA0
- Elsewhere: RCSB PDB 6B2J · PDBe 6B2J · UniProt B6DRA0
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