Structure of PDB 3s28 Chain D Binding Site BS01

Receptor Information
>3s28 Chain D (length=781) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEVLALLSRVEAKGKGILQQNQIIAEFEALPEQTRKKLEGGPFFDLLKST
QEAIVLPPWVALAVRPRPGVWEYLRVNLHALVVEELQPAEFLHFKEELVD
GVKNGNFTLELDFEPFNASIPRPTLHKYIGNGVDFLNRHLSAKLFHDKES
LLPLLKFLRLHSHQGKNLMLSEKIQNLNTLQHTLRKAEEYLAELKSETLY
EEFEAKFEEIGLERGWGDNAERVLDMIRLLLDLLEAPDPCTLETFLGRVP
MVFNVVILSPHGYFAQDNVLGYPDTGGQVVYILDQVRALEIEMLQRIKQQ
GLNIKPRILILTRLLPDAVGTTCGERLERVYDSEYCDILRVPFRTEKGIV
RKWISRFEVWPYLETYTEDAAVELSKELNGKPDLIIGNYSDGNLVASLLA
HKLGVTQCTIAHALEKTKYPDSDIYWKKLDDKYHFSCQFTADIFAMNHTD
FIITSTFQEIAGSKETVGQYESHTAFTLPGLYRVVHGIDVFDPKFNIVSP
GADMSIYFPYTEEKRRLTKFHSEIEELLYSDVENKEHLCVLKDKKKPILF
TMARLDRVKNLSGLVEWYGKNTRLRELANLVVVGGDRRKESKDNEEKAEM
KKMYDLIEEYKLNGQFRWISSQMDRVRNGELYRYICDTKGAFVQPALYEA
FGLTVVEAMTCGLPTFATCKGGPAEIIVHGKSGFHIDPYHGDQAADTLAD
FFTKCKEDPSHWDEISKGGLQRIEEKYTWQIYSQRLLTLTGVYGFWKHVS
NLDRLEARRYLEMFYALKYRPLAQAVPLAQD
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain3s28 Chain D Residue 901 [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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PDB3s28 The Structure of Sucrose Synthase-1 from Arabidopsis thaliana and Its Functional Implications.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L296 G303 V306 M578 A579 R580 K585 Q648 N654 L679 T680 E683
Binding residue
(residue number reindexed from 1)		L270 G277 V280 M552 A553 R554 K559 Q622 N628 L653 T654 E657
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.13: sucrose synthase.
Gene Ontology
Molecular Function
GO:0016157 sucrose synthase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0001666 response to hypoxia
GO:0005985 sucrose metabolic process
GO:0006970 response to osmotic stress
GO:0009409 response to cold
GO:0009413 response to flooding
GO:0009414 response to water deprivation
GO:0009744 response to sucrose
GO:0009749 response to glucose
GO:0010555 response to mannitol
GO:0071456 cellular response to hypoxia
GO:0072708 response to sorbitol
Cellular Component
GO:0005829 cytosol
GO:0009506 plasmodesma

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3s28, PDBe:3s28, PDBj:3s28
PDBsum3s28
PubMed21865170
UniProtP49040|SUS1_ARATH Sucrose synthase 1 (Gene Name=SUS1)

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