Structure of PDB 1oqn Chain B Binding Site BS02

Receptor Information

>1oqn Chain B (length=151) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DRSEATLIKRFKGEGVRYKAKLIGIDEVSAARGDKLCQDSMMKLKGVVAG
ARSKGEHKQKIFLTISFGGIKIFDEKTGALQHHHAVHEISYIAKDITDHR
AFGYVCGKEGNHRFVAIKTAQAAEPVILDLRDLFQLIYELKQREELEKKA
Q

Ligand information

Ligand ID

I3P

InChI

InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1

InChIKey

MMWCIQZXVOZEGG-XJTPDSDZSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
OpenEye OEToolkits 1.5.0	C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
CACTVS 3.341	O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O
OpenEye OEToolkits 1.5.0	[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
CACTVS 3.341	O[C@@H]1[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O[P](O)(O)=O

Formula

C6 H15 O15 P3

Name

D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE

PDB chain

1oqn Chain B Residue 1602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1oqn Crystal structures of the Dab homology domains of mouse disabled 1 and 2
Resolution	2.3 Å
Binding residue (original residue number in PDB)	K1045 R1076 H1081 K1082 R1124 K1142
Binding residue (residue number reindexed from 1)	K21 R52 H57 K58 R100 K118
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:1oqn, PDBe:1oqn, PDBj:1oqn
PDBsum	1oqn
PubMed	12826668
UniProt	P97318\|DAB1_MOUSE Disabled homolog 1 (Gene Name=Dab1)

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