MolNFT v1 · #61646 · protein

Crystal structure of the HIV-1 cross neutralizing antibody 2F5 in complex with GP41 peptide elleldkwaslwn grown in ammonium sulfate

3DRO · 2F5 Fab light chain: “Crystal structure of the HIV-1 cross neutralizing antibody 2F5 in complex with GP41 peptide elleldkwaslwn…”. X-ray diffraction, 2 pockets (best druggability 0.57). MolNFT v1 #61646 on GenesisL1: 3D structure…

PDB: 3DRO
Type: protein
Length: 436 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2F5 Fab light chain; 2F5 Fab heavy chain; Elleldkwaslwn GP41 peptide
UniProt: Q5S532
Pockets: 2 · best druggability 0.57

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	2F5 Fab light chain	protein	213	3% helix, 49% strand	—
B	2F5 Fab heavy chain	protein	216	6% helix, 50% strand	—
P	Elleldkwaslwn GP41 peptide	protein	7	0% helix, 14% strand	Q5S532

Pockets

2 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	437	0.57	0.74	59	empty
2	83	0.33	0.74	14	empty

Interfaces

3 interfaces between chains.

A–B · 1783 Å² buried · 11 hydrogen bonds · protein-protein
A–P · 326 Å² buried · 4 hydrogen bonds · protein-protein
B–P · 266 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

3DRO · Crystal structure of the HIV-1 Cross Neutralizing Antibody 2F5 in complex with gp41… · 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
Every structure of UniProt Q5S532
Elsewhere: RCSB PDB 3DRO · PDBe 3DRO · UniProt Q5S532

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