Structure of PDB 1cx9 Chain B Binding Site BS01

Receptor Information
>1cx9 Chain B (length=387) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNY
AGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMG
KSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLM
GAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVR
EFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGL
IGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISA
GLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESS
HALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHD
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 chain1cx9 Chain B Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1cx9 Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H86 K87 Q114 T190 G232 G234 S235 N236 E350 S377 G378
Binding residue
(residue number reindexed from 1)		H84 K85 Q112 T188 G230 G232 S233 N234 E348 S375 G376
Annotation score1
Enzymatic activity
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:1cx9, PDBe:1cx9, PDBj:1cx9
PDBsum1cx9
PubMed10504236
UniProtP0A2K1|TRPB_SALTY Tryptophan synthase beta chain (Gene Name=trpB)

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