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Crystal structure of the DH576 CD4BS Fab (unliganded) from the RV305 HIV vaccine trial
Analyse Crystal structure of the DH576 CD4BS Fab (unliganded) from the RV305 HIV… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5UIX
- Type
- protein
- Length
- 439 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DH576 Fab heavy chain; DH576 Fab light chain
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | DH576 Fab heavy chain | protein | 226 | 8% helix, 47% strand | — |
| L | DH576 Fab light chain | protein | 213 | 6% helix, 52% strand | — |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 670 | 0.63 | 0.74 | 67 | empty |
| 2 | 87 | 0.38 | 0.76 | 20 | empty |
| 3 | 91 | 0.33 | 0.73 | 19 | empty |
| 4 | 59 | 0.28 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- H–L · 1683 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 5UIX · Crystal Structure of the DH576 CD4bs Fab (unliganded) from the RV305 HIV Vaccine Trial · the same entry in another collection · chain H against H, 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 5UIX · PDBe 5UIX
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