Structure of PDB 3bwn Chain B Binding Site BS01

Receptor Information
>3bwn Chain B (length=369) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIPMSDFVVNLDHGDPTAYEEYWRKMGDRCTVTIRGCDLMSYFSDMTNLC
WFLEPELEDAIKDLHGVVGNAATEDRYIVVGTGSTQLCQAAVHALSSLAR
SQPVSVVAAAPFYSTYVEETTYVRSGMYKWEGDAWGFDKKGPYIELVTSP
NNPDGTIRETVVNRPDDDEAKVIHDFAYYWPHYTPITRRQDHDIMLFTFS
KITGHAGSRIGWALVKDKEVAKKMVEYIIVNSIGVSKESQVRTAKILNVL
KETCKSESESENFFKYGREMMKNRWEKLREVVKESDAFTLPKYPEAFCNY
FGKSLESYPAFAWLGTKEETDLVSELRRHKVMSRAGERCGSDKKHVRVSM
LSREDVFNVFLERLANMKL
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain3bwn Chain B 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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PDB3bwn Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for shade avoidance in plants
Resolution2.25 Å
Binding residue
(original residue number in PDB)		G99 S100 T101 N168 D191 Y194 T214 S216 K217 R225
Binding residue
(residue number reindexed from 1)		G83 S84 T85 N152 D175 Y178 T198 S200 K201 R209
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.27: tryptophan transaminase.
2.6.1.99: L-tryptophan--pyruvate aminotransferase.
Gene Ontology
Molecular Function
GO:0004021 L-alanine:2-oxoglutarate aminotransferase activity
GO:0004838 L-tyrosine-2-oxoglutarate transaminase activity
GO:0005515 protein binding
GO:0008483 transaminase activity
GO:0016846 carbon-sulfur lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0047312 L-phenylalanine-pyruvate transaminase activity
GO:0050362 L-tryptophan:2-oxoglutarate aminotransferase activity
GO:0080097 L-tryptophan:pyruvate aminotransferase activity
GO:0080098 L-tyrosine-pyruvate transaminase activity
GO:0080099 L-methionine:2-oxoglutarate aminotransferase activity
GO:0080130 L-phenylalanine-2-oxoglutarate transaminase activity
Biological Process
GO:0009641 shade avoidance
GO:0009684 indoleacetic acid biosynthetic process
GO:0009723 response to ethylene
GO:0009793 embryo development ending in seed dormancy
GO:0009851 auxin biosynthetic process
GO:0009908 flower development
GO:0009926 auxin polar transport
GO:0009958 positive gravitropism
GO:0010078 maintenance of root meristem identity
GO:0010087 phloem or xylem histogenesis
GO:0010588 cotyledon vascular tissue pattern formation
GO:0042742 defense response to bacterium
GO:0048364 root development
GO:0048366 leaf development
GO:0048367 shoot system development
GO:0048467 gynoecium development
GO:0048825 cotyledon development
GO:0080022 primary root development
Cellular Component
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:3bwn, PDBe:3bwn, PDBj:3bwn
PDBsum3bwn
PubMed18394996
UniProtQ9S7N2|TAA1_ARATH L-tryptophan--pyruvate aminotransferase 1 (Gene Name=TAA1)

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