MolNFT v1 · #106763 · protein

Structure of 35O22 Fab, a HIV-1 neutralizing antibody

4TOY · 35O22 Fab heavy chain: “Structure of 35O22 Fab, a HIV-1 neutralizing antibody”. X-ray diffraction, 4 pockets (best druggability 0.53). MolNFT v1 #106763 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4TOY
Type: protein
Length: 456 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 35O22 Fab heavy chain; 35O22 Fab light chain
Pockets: 4 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	35O22 Fab heavy chain	protein	242	10% helix, 51% strand	—
L	35O22 Fab light chain	protein	214	6% helix, 51% strand	—

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	161	0.53	0.79	30	empty
2	299	0.50	0.73	44	empty
3	102	0.36	0.74	19	empty
4	100	0.35	0.74	18	empty

Interfaces

1 interface between chains.

H–L · 1966 Å² buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide, 1 modified (disulfide, cyclization).

Compared structures

4TOY · Structure of 35O22 Fab, a HIV-1 neutralizing antibody · 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 4TOY · PDBe 4TOY

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