MolNFT v1 · #120443 · protein
Crystal structure of HIV-1 fusion inhibitor mt-wq-idl bound to GP41 nhr
5H0N · HIV-1 GP41 nhr: “Crystal structure of HIV-1 fusion inhibitor mt-wq-idl bound to GP41 nhr”. X-ray diffraction, 3 pockets (best druggability 0.78). MolNFT v1 #120443 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5H0N
- Type
- protein
- Length
- 438 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HIV-1 GP41 nhr; HIV-1 fusion inhibitor mt-wq-idl
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 6 distinct chains · 85% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HIV-1 GP41 nhr | protein | 40 | 85% helix, 0% strand | — |
| B, J | HIV-1 fusion inhibitor mt-wq-idl | protein | 31 | 77% helix, 0% strand | — |
| C | HIV-1 GP41 nhr | protein | 42 | 88% helix, 0% strand | — |
| D, F, H, L | HIV-1 fusion inhibitor mt-wq-idl | protein | 30 | 87% helix, 0% strand | — |
| E, K | HIV-1 GP41 nhr | protein | 43 | 88% helix, 0% strand | — |
| G, I | HIV-1 GP41 nhr | protein | 44 | 82% helix, 0% strand | — |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1191 | 0.78 | 0.80 | 76 | empty |
| 2 | 53 | 0.40 | 0.82 | 11 | empty |
| 3 | 109 | 0.38 | 0.74 | 17 | empty |
Interfaces
24 interfaces between chains.
- G–J · 904 Ų buried · 9 hydrogen bonds · protein-protein
- B–E · 872 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 838 Ų buried · 3 hydrogen bonds · protein-protein
- H–K · 826 Ų buried · 8 hydrogen bonds · protein-protein
- I–L · 786 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5H0N · Crystal structure of HIV-1 fusion inhibitor MT-WQ-IDL bound to gp41 NHR · 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 5H0N · PDBe 5H0N
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