Structure of PDB 1txc Chain B Binding Site BS04

Receptor Information
>1txc Chain B (length=157) Species: 109171 (Pachyrhizus erosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVFVFRDETSSSVAPAKLYKALTKDSDTIAQKIDGPIQSIELVEGNGGVG
TIKKITANEGDKTSFVLQKVDAIDEANLGYDYSIVGGTGLPESLEKLSFE
TKVVAGSGGGSISKVTLKFHTKGDAPLSDAVRDDALAKGAGFFKAIEGYV
LANPAEY
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 chain1txc Chain B Residue 718 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1txc Complex crystal structure of SPE16 with ANS
Resolution2.3 Å
Binding residue
(original residue number in PDB)		I55 A57 V66 I84 G89 L97 A135 K138
Binding residue
(residue number reindexed from 1)		I55 A57 V66 I84 G89 L97 A135 K138
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:1txc, PDBe:1txc, PDBj:1txc
PDBsum1txc
PubMed
UniProtQ6T6J0

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