MolNFT v1 · #165983 · protein
N123-VRC34_PI3 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
6UCE · N123-VRC34_PI3 light chain: “N123-VRC34_PI3 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519”. X-ray diffraction, 3 pockets (best druggability 0.56). MolNFT v1 #165983 on GenesisL1: 3D structure, binding…
- PDB
- 6UCE
- Type
- protein
- Length
- 450 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N123-VRC34_PI3 light chain; N123-VRC34_PI3 heavy chain; HIV fusion peptide
- UniProt
- Q6GMX0
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | N123-VRC34_PI3 light chain | protein | 214 | 6% helix, 49% strand | Q6GMX0 |
| H | N123-VRC34_PI3 heavy chain | protein | 228 | 8% helix, 49% strand | — |
| C | HIV fusion peptide | protein | 8 | 0% helix, 0% strand | — |
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 | 379 | 0.56 | 0.74 | 41 | empty |
| 2 | 154 | 0.51 | 0.79 | 26 | empty |
| 3 | 80 | 0.32 | 0.74 | 23 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1896 Ų buried · 14 hydrogen bonds · protein-protein
- H–C · 502 Ų buried · 8 hydrogen bonds · protein-protein
- L–C · 180 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 6UCE · N123-VRC34_pI3 HIV neutralizing antibody in complex with HIV fusion peptide residue… · the same entry in another collection · chain L against L, 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 Q6GMX0
- Elsewhere: RCSB PDB 6UCE · PDBe 6UCE · UniProt Q6GMX0
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