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I3.2 (unbound) from CH103 lineage

Analyse I3.2 (unbound) from CH103 lineage in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4QHL
Type: protein
Length: 860 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: I3 heavy chain; Uca light chain
Pockets: 9 · best druggability 0.43

Structure

x-ray diffraction · 3 distinct chains · 6% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	I3 heavy chain	protein	223	5% helix, 52% strand	—
B, D	Uca light chain	protein	209	6% helix, 47% strand	—
C	I3 heavy chain	protein	219	5% helix, 53% strand	—

Pockets

9 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	156	0.43	0.74	24	empty
2	135	0.41	0.75	30	empty
3	153	0.40	0.73	22	empty
4	134	0.40	0.74	22	empty
5	101	0.37	0.75	17	empty

Interfaces

3 interfaces between chains.

C–D · 1685 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 1646 Å² buried · 10 hydrogen bonds · protein-protein
A–D · 311 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

4QHL · I3.2 (unbound) from CH103 Lineage · the same entry in another collection · chain A against A, 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 4QHL · PDBe 4QHL

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