MolNFT v1 · #91866 · protein

Crystal structure of 10-1074 Fab

4FQ2 · Fab heavy chain: “Crystal structure of 10-1074 Fab”. X-ray diffraction, 3 pockets (best druggability 0.59). MolNFT v1 #91866 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4FQ2
Type: protein
Length: 441 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab heavy chain; Fab light chain
Pockets: 3 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Fab heavy chain	protein	230	9% helix, 51% strand	—
L	Fab light chain	protein	211	7% helix, 47% strand	—

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 3 copies · chains L
144 · Tris-hydroxymethyl-methyl-ammonium · additive · 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	529	0.59	0.74	56	144
2	238	0.52	0.76	34	empty
3	53	0.30	0.76	16	empty

Interfaces

1 interface between chains.

H–L · 1990 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

4FQ2 · Crystal Structure of 10-1074 Fab · 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 4FQ2 · PDBe 4FQ2

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