Structure of PDB 6bq4 Chain A Binding Site BS01

Receptor Information
>6bq4 Chain A (length=292) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSCWYEEEIEENLRWCFALNSILHTGASQYQDIALLDTKPFGKALVLDGK
LQSAETDEFIYHECLVHPALLHHPMPKNVFIMGGGEGSTARELLRHKTID
KVVMCDIDEEVVEFCKSYLVVNKEAFHDSRLEVVINDAKAELEGKEEKYD
VIVGDLADPIEGGPCYKLYTKDFYELTLKPKLKKGGIFVTQAGPAGIFSH
TEVFSCIYNTLRQVFKYVVPYSAHIPSYADIWGWVLASDSPLDLSAEELD
IRMRQRIIEENRYLDGKTFVSSSTLSKAVRNSLNNETHVYTE
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain6bq4 Chain A Residue 401 [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]
PDB6bq4 Crystal structure of thermospermine synthase fromMedicago truncatulaand substrate discriminatory features of plant aminopropyltransferases.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		D129 I130 D160 A161 L179 C188 L191
Binding residue
(residue number reindexed from 1)		D106 I107 D137 A138 L156 C165 L168
Annotation score3
Enzymatic activity
Enzyme Commision number 2.5.1.16: spermidine synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004766 spermidine synthase activity
GO:0010487 thermospermine synthase activity
GO:0016740 transferase activity
Biological Process
GO:0006596 polyamine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6bq4, PDBe:6bq4, PDBj:6bq4
PDBsum6bq4
PubMed29367265
UniProtG7K2D1

[Back to BioLiP]