Structure of PDB 4n3e Chain B Binding Site BS02

Receptor Information
>4n3e Chain B (length=159) Species: 65561 (Hypericum perforatum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAAYTIVKEEESPIAPHRLFKALVLERHQVLVKAQPHVFKSGEIIEGDGG
VGTVTKITFVDGHPLTYMLHKFDEIDAANFYCKYTLFEGDVLRDNIEKVV
YEVKLEAVGGGSKGKITVTYHPKPGCTVNEEEVKIGEKKAYEFYKQVEEY
LAANPEVFA
Ligand information
Ligand ID2AN
InChIInChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
InChIKeyFWEOQOXTVHGIFQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)c3cccc2cccc(Nc1ccccc1)c23
CACTVS 3.370O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
OpenEye OEToolkits 1.7.0c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
FormulaC16 H13 N O3 S
Name8-ANILINO-1-NAPHTHALENE SULFONATE
ChEMBLCHEMBL285527
DrugBankDB04474
ZINCZINC000001532216
PDB chain4n3e Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4n3e Likelihood-based molecular-replacement solution for a highly pathological crystal with tetartohedral twinning and sevenfold translational noncrystallographic symmetry.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		K8 E10 S12 L19 L23 I116 Y141 Y144
Binding residue
(residue number reindexed from 1)		K8 E10 S12 L19 L23 I116 Y141 Y144
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004864 protein phosphatase inhibitor activity
GO:0010427 abscisic acid binding
GO:0038023 signaling receptor activity
Biological Process
GO:0006952 defense response
GO:0009738 abscisic acid-activated signaling pathway
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4n3e, PDBe:4n3e, PDBj:4n3e
PDBsum4n3e
PubMed24531481
UniProtQ8H1L1

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