MolNFT v1 · #168517 · protein

Crystal structure of Fab 54-1G05

6WIY · Fab 54-1G05 heavy chain: “Crystal structure of Fab 54-1G05”. X-ray diffraction, 3 pockets (best druggability 0.56). MolNFT v1 #168517 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6WIY
Type: protein
Length: 443 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab 54-1G05 heavy chain; Fab 54-1G05 light chain
Pockets: 3 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Fab 54-1G05 heavy chain	protein	227	7% helix, 52% strand	—
L	Fab 54-1G05 light chain	protein	216	7% helix, 53% strand	—

Ligands and binding sites

GOL · Glycerol · additive · 5 copies · chains H, L

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

Pockets

3 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	422	0.56	0.73	51	empty
2	70	0.31	0.74	17	empty
3	60	0.28	0.73	15	empty

Interfaces

1 interface between chains.

H–L · 1764 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6WIY · Crystal structure of Fab 54-1G05 · 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 6WIY · PDBe 6WIY

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