MolNFT v1 · #104668 · protein

I3.1 (unbound) from CH103 lineage

4QHM · I3 heavy chain: “I3.1 (unbound) from CH103 lineage”. X-ray diffraction, 20 pockets (best druggability 0.80). MolNFT v1 #104668 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4QHM
Type: protein
Length: 1,704 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: I3 heavy chain; I2 light chain
Pockets: 20 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E, C, G	I3 heavy chain	protein	217	4% helix, 52% strand	—
F, B, D, H	I2 light chain	protein	209	7% helix, 50% strand	—

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	724	0.80	0.84	126	empty
2	136	0.78	0.96	26	empty
3	666	0.74	0.81	98	empty
4	351	0.71	0.83	71	empty
5	310	0.65	0.81	54	empty

Interfaces

18 interfaces between chains.

G–H · 1899 Å² buried · 13 hydrogen bonds · protein-protein
E–F · 1880 Å² buried · 12 hydrogen bonds · protein-protein
C–D · 1851 Å² buried · 14 hydrogen bonds · protein-protein
A–B · 1843 Å² buried · 14 hydrogen bonds · protein-protein
C–G · 564 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

4QHM · I3.1 (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 4QHM · PDBe 4QHM

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