Structure of PDB 3vuf Chain A Binding Site BS01

Receptor Information
>3vuf Chain A (length=488) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHMNVVFVGAEMAPWSKTGGLGDVLGGLPPAMAANGHRVMVISPRYDQYK
DAWDTSVVAEIKVADRYERVRFFHCYKRGVDRVFIDHPSFLEKKDNQMRF
SLLCQAALEAPRILNLNNNPYFKGTYGEDVVFVCNDWHTGPLASYLKNNY
QPNGIYRNAKVAFCIHNISYQGRFAFEDYPELNLSERFRSSFDFIDGYDT
PVEGRKINWMKAGILEADRVLTVSPYYAEELISGIARGCELDNIMRLTGI
TGIVNGMDVSEWDPSKDKYITAKYDATTAIEAKALNKEALQAEAGLPVDR
KIPLIAFIGRLEEQKGPDVMAAAIPELMQEDVQIVLLGTGKKKFEKLLKS
MEEKYPGKVRAVVKFNAPLAHLIMAGADVLAVPSRFEPCGLIQLQGMRYG
TPCACASTGGLVDTVIEGKTGFHMGRLSVDCKVVEPSDVKKVAATLKRAI
KVVGTPAYEEMVRNCMNQDLSWKGPAKNWENVLLGLGV
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3vuf Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3vuf Interdomain Disulfide Bridge in the Rice Granule Bound Starch Synthase I Catalytic Domain as Elucidated by X-Ray Structure Analysis
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G100 R408 K413 K462 F463 L489 I490
Binding residue
(residue number reindexed from 1)		G20 R310 K315 K364 F365 L391 I392
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.242: NDP-glucose--starch glucosyltransferase.
Gene Ontology
Molecular Function
GO:0004373 alpha-1,4-glucan glucosyltransferase (UDP-glucose donor) activity
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:3vuf, PDBe:3vuf, PDBj:3vuf
PDBsum3vuf
PubMed22878205
UniProtQ0DEV5|SSG1_ORYSJ Granule-bound starch synthase 1, chloroplastic/amyloplastic (Gene Name=WAXY)

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