MolNFT v1 · #136110 · protein
Crystal structure of the DH576 CD4BS Fab (unliganded) from the RV305 HIV vaccine trial
5UIX · DH576 Fab heavy chain: “Crystal structure of the DH576 CD4BS Fab (unliganded) from the RV305 HIV vaccine trial”. X-ray diffraction, 4 pockets (best druggability 0.63). MolNFT v1 #136110 on GenesisL1: 3D structure, binding sites and…
- 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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