MolNFT v1 · #3055 · protein

Anti-P24 (HIV-1) Fab fragment CB41 complexed with an epitope-unrelated peptide

1CFS · Protein (IGG2A kappa antibody CB41 (light chain) ): “Anti-P24 (HIV-1) Fab fragment CB41 complexed with an epitope-unrelated peptide”. X-ray diffraction, 3 pockets (best druggability 0.54). MolNFT v1 #3055 on GenesisL1: 3D structure…

PDB: 1CFS
Type: protein
Length: 438 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (IGG2A kappa antibody CB41 (light chain) ); Protein (IGG2A kappa antibody CB41…
Pockets: 3 · best druggability 0.54

Structure

x-ray diffraction · 3 distinct chains · 5% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein (IGG2A kappa antibody CB41 (light chain) )	protein	214	5% helix, 52% strand	—
B	Protein (IGG2A kappa antibody CB41 (heavy chain) )	protein	213	4% helix, 49% strand	—
C	Protein (antigen bound peptide)	protein	11	0% helix, 0% strand	—

Pockets

3 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	368	0.54	0.73	53	empty
2	158	0.52	0.79	21	empty
3	139	0.46	0.77	19	empty

Interfaces

3 interfaces between chains.

A–B · 1796 Å² buried · 18 hydrogen bonds · protein-protein
B–C · 375 Å² buried · 1 hydrogen bond · protein-protein
A–C · 369 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1CFS · Anti-P24 (HIV-1) Fab fragment CB41 complexed with an epitope-unrelated peptide · the same entry in another collection · chain A against A, 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 1CFS · PDBe 1CFS

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