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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).

ChainMoleculeTypeResiduesSecondary structureUniProt
HDH576 Fab heavy chainprotein2268% helix, 47% strand—
LDH576 Fab light chainprotein2136% helix, 52% strand—

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16700.630.7467empty
2870.380.7620empty
3910.330.7319empty
4590.280.7316empty

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

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