MolNFT v1 · #174514 · protein

11A1 antibody-peptide complex

7BXV · Fab of the 11A1 antibody L chain: “11A1 antibody-peptide complex”. X-ray diffraction, 5 pockets (best druggability 0.54). MolNFT v1 #174514 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7BXV
Type: protein
Length: 439 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab of the 11A1 antibody L chain; Fab of the 11A1 antibody H chain; Tyr-glu-val-his-his
Pockets: 5 · best druggability 0.54

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Fab of the 11A1 antibody L chain	protein	217	6% helix, 52% strand	—
H	Fab of the 11A1 antibody H chain	protein	217	11% helix, 52% strand	—
A	Tyr-glu-val-his-his	protein	5	0% helix, 0% strand	—

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 5 copies · chains L, H, A

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

Pockets

5 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	64	0.54	0.88	20	empty
2	263	0.51	0.75	41	empty
3	180	0.46	0.75	30	empty
4	103	0.39	0.75	27	EDO
5	88	0.32	0.74	21	empty

Interfaces

3 interfaces between chains.

L–H · 1768 Å² buried · 15 hydrogen bonds · protein-protein
H–A · 333 Å² buried · 8 hydrogen bonds · protein-protein
L–A · 237 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

7BXV · 11A1 antibody-peptide complex · 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 7BXV · PDBe 7BXV

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