Structure of PDB 1u29 Chain A Binding Site BS01

Receptor Information

>1u29 Chain A (length=119) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PDREGWLLKLGGGRVKTWKRRWFILTDNCLYYFEYTTDKEPRGIIPLENL
SIREVDDPRKPNCFELYIPNNKGQLIKACKTEADGRVVEGNHMVYRISAP
TQEEKDEWIKSIQAAVSVD

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

1u29 Chain A Residue 101 [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	1u29 Structural determinants of phosphoinositide selectivity in splice variants of Grp1 family PH domains
Resolution	1.8 Å
Binding residue (original residue number in PDB)	K268 G271 K278 R280 Y291 R301 K339 N350 H351
Binding residue (residue number reindexed from 1)	K9 G12 K19 R21 Y32 R42 K80 N91 H92
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:1u29, PDBe:1u29, PDBj:1u29
PDBsum	1u29
PubMed	15359279
UniProt	P63034\|CYH2_MOUSE Cytohesin-2 (Gene Name=Cyth2)

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