Structure of PDB 4qys Chain A Binding Site BS02

Receptor Information
>4qys Chain A (length=408) Species: 273057 (Saccharolobus solfataricus P2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIRIDLPQDEIPAQWYNILPDLPEELPPPQDPTGKSLELLKEVLPSKVLE
LEFAKERYVKIPDEVLERYLQVGRPTPIIRAKRLEEYLGNNIKIYLKMES
YTYTGSHKINSALAHVYYAKLDNAKFVTTETGAGQWGSSVALASALFRMK
AHIFMVRTSYYAKPYRKYMMQMYGAEVHPSPSDLLGIAISDAVEYAHKNG
GKYVVGSVVNSDIMFKTIAGMEAKKQMELIGEDPDYIIGVVGGGSNYAAL
AYPFLGDELRSGKVRRKYIASGSSEVPKMTKGVYKYDYPDTAKLLPMLKM
YTIGSDFVPPPVYAGGLRYHGVAPTLSLLISKGIVQARDYSQEESFKWAK
LFSELEGYIPAPETSHALPILAEIAEEAKKSGERKTVLVSFSGHGLLDLG
NYASVLFK
Ligand information
Ligand IDSEP
InChIInChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKeyBZQFBWGGLXLEPQ-REOHCLBHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(C(=O)O)N
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)OP(=O)(O)O
CACTVS 3.341N[CH](CO[P](O)(O)=O)C(O)=O
CACTVS 3.341N[C@@H](CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)OP(=O)(O)O
FormulaC3 H8 N O6 P
NamePHOSPHOSERINE;
PHOSPHONOSERINE
ChEMBLCHEMBL284377
DrugBankDB04522
ZINCZINC000003869280
PDB chain4qys Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qys TrpB2 enzymes are O-phospho-l-serine dependent tryptophan synthases
Resolution1.939 Å
Binding residue
(original residue number in PDB)		K111 G135 A136 Q138 W139 G336 R338 E383
Binding residue
(residue number reindexed from 1)		K108 G132 A133 Q135 W136 G316 R318 E363
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K111 E133 S412
Catalytic site (residue number reindexed from 1) K108 E130 S392
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:4qys, PDBe:4qys, PDBj:4qys
PDBsum4qys
PubMed25184516
UniProtQ97TX6|TRPB2_SACS2 Tryptophan synthase beta chain 2 (Gene Name=trpB2)

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