Structure of PDB 6hte Chain D Binding Site BS01

Receptor Information
>6hte Chain D (length=415) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIRIDLPQDEIPAQWYNILPDLPEELPPPQKEVLPSKVLELEFAKERYVK
IPDEVLERYLQVGRPTPIIRAKRLEEYLGNNIKIYLKMESYTYTGSHKIN
SALAHVYYAKLDNAKFVTTETGAGQWGSSVALASALFRMKAHIFMVRTSY
YAKPYRKYMMQMYGAEVHPSPSDLTEFGRQLLAKDSNHPGSLGIAISDAV
EYAHKNGGKYVVGSVVNSDIMFKTIAGMEAKKQMELIGEDPDYIIGVVGG
GSNYAALAYPFLGDELRSGKVRRKYIASGSSEVPKMTKGVYKYDYPDTAK
LLPMLKMYTIGSDFVPPPVYAGGLRYHGVAPTLSLLISKGIVQARDYSQE
ESFKWAKLFSELEGYIPAPETSHALPILAEIAEEAKKSGERKTVLVSFSG
HGLLDLGNYASVLFK
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 chain6hte Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hte Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole.
Resolution1.961 Å
Binding residue
(original residue number in PDB)		H110 K111 G262 G263 G264 S265 N266 E383 S412 G413
Binding residue
(residue number reindexed from 1)		H97 K98 G249 G250 G251 S252 N253 E370 S399 G400
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.20: tryptophan synthase.
Gene Ontology
Molecular Function
GO:0004834 tryptophan synthase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0052684 L-serine hydro-lyase (adding indole, L-tryptophan-forming) activity
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006568 tryptophan metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6hte, PDBe:6hte, PDBj:6hte
PDBsum6hte
PubMed30367843
UniProtQ97TX6|TRPB2_SACS2 Tryptophan synthase beta chain 2 (Gene Name=trpB2)

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