MolNFT v1 · #111756 · protein

Crystal structure of the Fab fragment of anti-ofloxacin antibody and exploration its receptor binding site

4Z0B · Antibody heavy chain: “Crystal structure of the Fab fragment of anti-ofloxacin antibody and exploration its receptor binding site”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.64). MolNFT v1 #111756 on…

PDB: 4Z0B
Type: protein
Length: 424 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Antibody heavy chain; Antibody light chain
Ligands: PO4
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Antibody heavy chain	protein	222	4% helix, 46% strand	—
L	Antibody light chain	protein	202	5% helix, 49% strand	—

Ligands and binding sites

PO4 · Phosphate ion · ion · chains H

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

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	610	0.64	0.75	60	empty
2	140	0.51	0.79	24	empty
3	146	0.43	0.75	24	empty

Interfaces

1 interface between chains.

H–L · 1847 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4Z0B · Crystal Structure of the Fab Fragment of Anti-ofloxacin Antibody and Exploration Its… · 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 4Z0B · PDBe 4Z0B

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