MolNFT v1 · #81157 · protein
Structural determinants of trimerization specificity in HIV-1 GP41 protein
3UIA · Glycoprotein 41: “Structural determinants of trimerization specificity in HIV-1 GP41 protein”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.38). MolNFT v1 #81157 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3UIA
- Type
- protein
- Length
- 158 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycoprotein 41
- UniProt
- P12487
- Ligands
- CL
- Pockets
- 1 · best druggability 0.38
Structure
x-ray diffraction · 2 distinct chains · 94% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glycoprotein 41 | protein | 53 | 94% helix, 0% strand | P12487 |
| C | Glycoprotein 41 | protein | 52 | 94% helix, 0% strand | P12487 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A, B, C
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 98 | 0.38 | 0.75 | 14 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1001 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 995 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 968 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3UIA · Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein · 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 P12487
- Elsewhere: RCSB PDB 3UIA · PDBe 3UIA · UniProt P12487
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