MolNFT v1 · #188771 · protein

Structure of the anti-HIV-1 neutralizing antibody BG24 Fab fragment

7UCE · BG24 Fab light chain: “Structure of the anti-HIV-1 neutralizing antibody BG24 Fab fragment”. X-ray diffraction, 1 ligand (NAG), 3 pockets (best druggability 0.52). MolNFT v1 #188771 on GenesisL1: 3D structure, binding sites and…

PDB: 7UCE
Type: protein
Length: 426 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: BG24 Fab light chain; BG24 S60A Fab heavy chain
Ligands: NAG
Pockets: 3 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	BG24 Fab light chain	protein	201	6% helix, 51% strand	—
H	BG24 S60A Fab heavy chain	protein	225	4% helix, 48% strand	—

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains L

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	222	0.52	0.77	45	empty
2	222	0.46	0.73	33	empty
3	94	0.35	0.74	18	empty

Interfaces

1 interface between chains.

L–H · 1773 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

7UCE · Structure of the anti-HIV-1 neutralizing antibody BG24 Fab fragment · 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 7UCE · PDBe 7UCE

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