MolNFT v1 · #75971 · protein
Crystal structure of Fab of rhesus mab 2.5B specific for quaternary neutralizing epitope of HIV-1 GP120
3Q6G · Light chain of Fab of rhesus mab 2.5B: “Crystal structure of Fab of rhesus mab 2.5B specific for quaternary neutralizing epitope of HIV-1 GP120”. X-ray diffraction, 6 pockets (best druggability 0.75). MolNFT v1 #75971 on GenesisL1…
- PDB
- 3Q6G
- Type
- protein
- Length
- 880 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Light chain of Fab of rhesus mab 2.5B; Heavy chain of Fab of rhesus mab 2.5B
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 9% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L, M | Light chain of Fab of rhesus mab 2.5B | protein | 209 | 7% helix, 52% strand | — |
| H | Heavy chain of Fab of rhesus mab 2.5B | protein | 234 | 11% helix, 54% strand | — |
| I | Heavy chain of Fab of rhesus mab 2.5B | protein | 228 | 9% helix, 54% strand | — |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 986 | 0.75 | 0.78 | 97 | empty |
| 2 | 807 | 0.68 | 0.75 | 73 | empty |
| 3 | 317 | 0.53 | 0.74 | 46 | empty |
| 4 | 141 | 0.44 | 0.76 | 29 | empty |
| 5 | 139 | 0.44 | 0.76 | 29 | empty |
Interfaces
6 interfaces between chains.
- M–I · 1672 Ų buried · 14 hydrogen bonds · protein-protein
- L–H · 1632 Ų buried · 14 hydrogen bonds · protein-protein
- H–I · 471 Ų buried · 4 hydrogen bonds · protein-protein
- L–M · 145 Ų buried · 2 hydrogen bonds · protein-protein
- H–M · 79 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3Q6G · Crystal structure of Fab of rhesus mAb 2.5B specific for quaternary neutralizing epitope… · 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
- Elsewhere: RCSB PDB 3Q6G · PDBe 3Q6G
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