Structure of PDB 8pn2 Chain C Binding Site BS01

Receptor Information
>8pn2 Chain C (length=395) Species: 39946 (Oryza sativa Indica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YFLWPTSNLQHCAAEGRANYFGNLQPKGQQANSLLDLMTIRAFHSKILRR
FSLGTAVGFRIRKGDLTDIPAILVFVARKVHKKWLNPAQCLPAILEGPGG
VWCDVDVVEFSYYGAPQMFSELVDKLCGSDECIGSGSQVASHETFGTLGA
IVKRRTGNKQVGFLTNRHVAVDLDYPNQKMFHPLPPNLGPGVYLGAVERA
TSFITDDVWYGIYAGTNPETFVRADGAFIPFADDFDISTVTTVVRGVGDI
GDVKVIDLQCPLNSLIGRQVCKVGRSSGHTTGTVMAYALEYNDEKGICFF
TDILVVGENRQTFDLEGDSGSLIILTSQDGEKPRPIGIIWGGTANRGRLK
LTSDHGPENWTSGVDLGRLLDRLELDIIITNESLQDAVQQQRFAL
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 chain8pn2 Chain C Residue 1001 [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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PDB8pn2 The catalytic triad of rice NARROW LEAF1 involves H234
Resolution2.63 Å
Binding residue
(original residue number in PDB)		R120 I121 R122 K123 K139 V140 H141 L145 L151 D166 V167
Binding residue
(residue number reindexed from 1)		R60 I61 R62 K63 K79 V80 H81 L85 L91 D106 V107
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:8pn2, PDBe:8pn2, PDBj:8pn2
PDBsum8pn2
PubMed38600265
UniProtB4XT64|NAL1_ORYSJ Protein NARROW LEAF 1 (Gene Name=NAL1)

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