Structure of PDB 8has Chain C Binding Site BS01

Receptor Information
>8has Chain C (length=359) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQQANSLLDLMTIRAFHSKILRRFSLGTAVGFRIRKGDLTDIPAILVFVA
RKVHKKWLNPAQCLPAILEGPGGVWCDVDVVEFSYQMFSELVDKLCGSDE
CIGSGSQVASHETFGTLGAIVKRRTGNKQVGFLTNHHVAVDLDYPNQKMF
HPLPPNLGPGVYLGAVERATSFITDDVWYGIYAGTNPETFVRADGAFIPF
ADDFDISTVTTVVRGVGDIGDVKVIDLQCPLNSLIGRQVCKVGRSSGHTT
GTVMAYALEYNDEKGICFFTDILVVGENRQTFDLEGDSGSLIILTSQDGE
KPRPIGIIWGGTANRGRLKLTSDHGPENWTSGVDLGRLLDRLELDIIITN
ESLQDAVQQ
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8has Chain C Residue 601 [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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PDB8has NARROW LEAF 1-close from Japonica
Resolution2.89 Å
Binding residue
(original residue number in PDB)		R122 R138 K139 V140 L145 D166 V167
Binding residue
(residue number reindexed from 1)		R35 R51 K52 V53 L58 D79 V80
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0010222 stem vascular tissue pattern formation
GO:0010305 leaf vascular tissue pattern formation
GO:0080006 internode patterning
GO:2000024 regulation of leaf development
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8has, PDBe:8has, PDBj:8has
PDBsum8has
PubMed
UniProtB4XT64|NAL1_ORYSJ Protein NARROW LEAF 1 (Gene Name=NAL1)

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