MolNFT v1 · #31634 · protein
Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG1033 peptide
2B1A · Fab 2219, light chain: “Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG1033 peptide”. X-ray diffraction, 6 pockets (best druggability 0.45). MolNFT v1 #31634 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2B1A
- Type
- protein
- Length
- 457 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab 2219, light chain; Fab 2219, heavy chain; UG1033 peptide of exterior membrane…
- Pockets
- 6 · best druggability 0.45
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Fab 2219, light chain | protein | 215 | 7% helix, 50% strand | — |
| H | Fab 2219, heavy chain | protein | 226 | 5% helix, 51% strand | — |
| P | UG1033 peptide of exterior membrane glycoprotein GP120 | protein | 16 | 0% helix, 44% strand | — |
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 229 | 0.45 | 0.73 | 42 | empty |
| 2 | 54 | 0.40 | 0.81 | 21 | empty |
| 3 | 100 | 0.37 | 0.75 | 23 | empty |
| 4 | 73 | 0.32 | 0.75 | 19 | empty |
| 5 | 59 | 0.27 | 0.74 | 17 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1776 Ų buried · 18 hydrogen bonds · protein-protein
- H–P · 585 Ų buried · 15 hydrogen bonds · protein-protein
- L–P · 385 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2B1A · Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG1033 peptide · 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 2B1A · PDBe 2B1A
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