Structure of PDB 2wsy Chain B Binding Site BS01

Receptor Information
>2wsy Chain B (length=375) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNY
AGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMG
KSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDSPNVFRMRLMGAEV
ITLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETK
AQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIE
TGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQH
AYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMR
EQPEKEQLLVVNLSGRGDKDIFTVH
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain2wsy Chain B Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wsy Loop closure and intersubunit communication in tryptophan synthase.
Resolution3.05 Å
Binding residue
(original residue number in PDB)		H86 K87 T190 G232 G234 S235 N236 L304 E350 S377 G378
Binding residue
(residue number reindexed from 1)		H84 K85 T177 G219 G221 S222 N223 L291 E337 S364 G365
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K87 E109 S377
Catalytic site (residue number reindexed from 1) K85 E107 S364
Enzyme Commision number 4.2.1.20: tryptophan synthase.
Gene Ontology
Molecular Function
GO:0004834 tryptophan synthase activity
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0042802 identical protein binding
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006568 tryptophan metabolic process
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:2wsy, PDBe:2wsy, PDBj:2wsy
PDBsum2wsy
PubMed9548921
UniProtP0A2K1|TRPB_SALTY Tryptophan synthase beta chain (Gene Name=trpB)

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