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Structure of PDB 1a5b Chain B Binding Site BS01

Receptor Information >1a5b Chain B (length=389) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNY AGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMG KSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLM GAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVR EFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGL IGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISA GLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESS HALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDIL

Ligand information Ligand ID PLP InChI InChI=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) InChIKey NGVDGCNFYWLIFO-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O ACDLabs 10.04 O=P(O)(O)OCc1cnc(c(O)c1C=O)C Formula C8 H10 N O6 P Name PYRIDOXAL-5'-PHOSPHATE; VITAMIN B6 Phosphate ChEMBL CHEMBL82202 DrugBank DB00114 ZINC ZINC000001532514 PDB chain 1a5b Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1a5b Cryo-crystallography of a true substrate, indole-3-glycerol phosphate, bound to a mutant (alphaD60N) tryptophan synthase alpha2beta2 complex reveals the correct orientation of active site alphaGlu49. Resolution 2.0 Å Binding residue (original residue number in PDB) H86 K87 T190 G232 G233 G234 S235 N236 E350 S377 G378 Binding residue (residue number reindexed from 1) H84 K85 T188 G230 G231 G232 S233 N234 E348 S375 G376 Annotation score 1

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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