MolNFT v1 · #168519 · protein

Crystal structure of Fab 54-4H03

6WJ0 · Fab 54-4H03 heavy chain: “Crystal structure of Fab 54-4H03”. X-ray diffraction, 4 pockets (best druggability 0.57). MolNFT v1 #168519 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6WJ0
Type: protein
Length: 443 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab 54-4H03 heavy chain; Fab 54-4H03 light chain
Pockets: 4 · best druggability 0.57

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Fab 54-4H03 heavy chain	protein	228	7% helix, 54% strand	—
L	Fab 54-4H03 light chain	protein	215	7% helix, 53% strand	—

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains H, L

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

Pockets

4 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	470	0.57	0.73	60	empty
2	116	0.39	0.75	19	empty
3	72	0.33	0.75	21	empty
4	78	0.30	0.73	17	empty

Interfaces

1 interface between chains.

H–L · 1850 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6WJ0 · Crystal structure of Fab 54-4H03 · 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 6WJ0 · PDBe 6WJ0

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