Research workbench
Crystal structure of HIV-1 LM/HS clade A/E CRF01 GP120 core in complex with (S)-mcg-IV-210
Analyse Crystal structure of HIV-1 LM/HS clade A/E CRF01 GP120 core in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6USW
- Type
- protein
- Length
- 340 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HIV-1 LM/HS clade A/E CRF01 GP120 core
- UniProt
- A0A0M3KKW9
- Ligands
- O51, NAG
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HIV-1 LM/HS clade A/E CRF01 GP120 core | protein | 340 | 17% helix, 38% strand | A0A0M3KKW9 |
Ligands and binding sites
- O51 · (3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
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 | 63 | 0.61 | 0.91 | 18 | empty |
| 2 | 86 | 0.58 | 0.87 | 19 | O51 |
| 3 | 63 | 0.46 | 0.83 | 17 | NAG |
Modifications
Observed in the structure: 10 glycan, 8 disulfide (N-glycosylation, disulfide).
Compared structures
- 6USW · Crystal structure of HIV-1 LM/HS clade A/E CRF01 GP120 core in complex with (S)-mcg-IV-210 · 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 A0A0M3KKW9
- Elsewhere: RCSB PDB 6USW · PDBe 6USW · UniProt A0A0M3KKW9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.