Structure of PDB 2r0d Chain B Binding Site BS01

Receptor Information
>2r0d Chain B (length=341) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHHHHHHGSTTQRNAQIAMGRKKFNMDPKKGIQFLIENDLLQSSPEDVAQ
FLYKGEGLNKTVIGDYLGERDDFNIKVLQAFVELHEFADLNLVQALRQFL
WSFRLPGEAQKIDRMMEAFASRYCLCNPGVFQSTDTCYVLSFAIIMLNTS
LHNHNVRDKPTAERFITMNRGINEGGDLPEELLRNLYESIKNEPFKIPED
DGNDLTHTFFNPDREGWLLKLGGRVKTWKRRWFILTDNCLYYFEYTTDKE
PRGIIPLENLSIREVEDPRKPNCFELYNPSHKGQVIKACKTEADGRVVEG
NHVVYRISAPSPEEKEEWMKSIKASISRDPFYDMLATRKRR
Ligand information
Ligand ID4IP
InChIInChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1
InChIKeyCIPFCGZLFXVXBG-CNWJWELYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O
OpenEye OEToolkits 1.7.6[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
CACTVS 3.385O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
OpenEye OEToolkits 1.7.6C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O
CACTVS 3.385O[C@H]1[C@@H](O[P](O)(O)=O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H16 O18 P4
NameINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE
ChEMBLCHEMBL23552
DrugBankDB01863
ZINCZINC000012494830
PDB chain2r0d Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2r0d Structural Basis and Mechanism of Autoregulation in 3-Phosphoinositide-Dependent Grp1 Family Arf GTPase Exchange Factors.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		K273 G275 G276 R277 V278 T280 K282 R284 Y295 R305 K343 N354 H355
Binding residue
(residue number reindexed from 1)		K220 G222 G223 R224 V225 T227 K229 R231 Y242 R252 K290 N301 H302
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005085 guanyl-nucleotide exchange factor activity
Biological Process
GO:0032012 regulation of ARF protein signal transduction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2r0d, PDBe:2r0d, PDBj:2r0d
PDBsum2r0d
PubMed18042453
UniProtO08967|CYH3_MOUSE Cytohesin-3 (Gene Name=Cyth3)

[Back to BioLiP]