MolNFT v1 · #122567 · protein

Structure of a transglutaminase 2-specific autoantibody 693-10-B06 Fab fragment

5IT2 · Heavy chain: “Structure of a transglutaminase 2-specific autoantibody 693-10-B06 Fab fragment”. X-ray diffraction, 5 pockets (best druggability 0.58). MolNFT v1 #122567 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5IT2
Type: protein
Length: 433 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heavy chain; Light chain
Pockets: 5 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Heavy chain	protein	218	9% helix, 50% strand	—
L	Light chain	protein	215	7% helix, 50% strand	—

Pockets

5 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	395	0.58	0.75	54	empty
2	50	0.50	0.88	19	empty
3	202	0.49	0.76	32	empty
4	94	0.43	0.79	17	empty
5	63	0.29	0.74	18	empty

Interfaces

1 interface between chains.

H–L · 1857 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

5IT2 · Structure of a transglutaminase 2-specific autoantibody 693-10-B06 Fab fragment · 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 5IT2 · PDBe 5IT2

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