MolNFT v1 · #11565 · protein

Igf-1 receptor kinase domain

1JQH: “Igf-1 receptor kinase domain”. X-ray diffraction, 3 ligands (ANP, MG, SO4), 12 pockets (best druggability 0.73). MolNFT v1 #11565 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1JQH
Type: protein
Length: 869 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Igf-1 receptor kinase
EC: 2.7.1.112
UniProt: P08069
Ligands: ANP, MG, SO4
Pockets: 12 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Igf-1 receptor kinase (EC 2.7.1.112)	protein	291	37% helix, 20% strand	P08069
B	Igf-1 receptor kinase (EC 2.7.1.112)	protein	287	37% helix, 20% strand	P08069

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 3 copies · chains A, B, C
MG · Magnesium ion · metal · chains A
SO4 · Sulfate ion · ion · 3 copies · chains A, B, C

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

Pockets

12 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	1046	0.73	0.76	111	SO4, ANP
2	415	0.66	0.79	43	MG, ANP
3	396	0.65	0.79	41	ANP
4	71	0.37	0.78	14	empty
5	93	0.33	0.74	19	empty

Interfaces

3 interfaces between chains.

A–B · 780 Å² buried · 8 hydrogen bonds · protein-protein
B–C · 771 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 741 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

1JQH · IGF-1 receptor kinase domain · the same entry in another collection · chain A against A, TM-score 1.00
P08069 · AlphaFold monomer V2.0 prediction for insulin-like growth factor 1 receptor (P08069) · a predicted model of the same protein · chain A against A, TM-score 0.92

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P08069
Elsewhere: RCSB PDB 1JQH · PDBe 1JQH · UniProt P08069

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