MolNFT v1 · #64319 · protein

IGG1 Fab characterized by H/D exchange

3FZU · Immunoglobulin IGG1 Fab, light chain: “IGG1 Fab characterized by H/D exchange”. X-ray diffraction, 10 pockets (best druggability 0.70). MolNFT v1 #64319 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3FZU
Type: protein
Length: 857 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Immunoglobulin IGG1 Fab, light chain; Immunoglobulin IGG1 Fab, heavy chain
Pockets: 10 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L, D	Immunoglobulin IGG1 Fab, light chain	protein	213	6% helix, 51% strand	—
H	Immunoglobulin IGG1 Fab, heavy chain	protein	217	7% helix, 50% strand	—
C	Immunoglobulin IGG1 Fab, heavy chain	protein	214	8% helix, 51% strand	—

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	788	0.70	0.76	103	empty
2	192	0.52	0.78	31	empty
3	55	0.51	0.88	22	empty
4	57	0.46	0.84	23	empty
5	87	0.44	0.79	23	empty

Interfaces

3 interfaces between chains.

L–H · 1728 Å² buried · 14 hydrogen bonds · protein-protein
C–D · 1625 Å² buried · 14 hydrogen bonds · protein-protein
L–D · 947 Å² buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

3FZU · IgG1 Fab characterized by H/D exchange · 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 3FZU · PDBe 3FZU

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