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Structure of PDB 2clf Chain B Binding Site BS01

Receptor Information >2clf Chain B (length=394) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TTLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKN YAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRM GKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRL MGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIV REFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVG LIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSIS AGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALES SHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKARG

Ligand information Ligand ID F6F InChI InChI=1S/C10H11F3NO6P/c11-10(12,13)20-8-3-1-7(2-4-8)9(15)14-5-6-19-21(16,17)18/h1-4H,5-6H2,(H,14,15)(H2,16,17,18) InChIKey YAHFSBJEYPSDPU-UHFFFAOYSA-N SMILES Software SMILES ACDLabs 10.04 FC(F)(F)Oc1ccc(cc1)C(=O)NCCOP(=O)(O)O CACTVS 3.341 O[P](O)(=O)OCCNC(=O)c1ccc(OC(F)(F)F)cc1 OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F Formula C10 H11 F3 N O6 P Name 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE; N-(4'-TRIFLUOROMETHOXYBENZOYL)-2-AMINO-1-ETHYLPHOSPHATE, F6 ChEMBL DrugBank DB07745 ZINC ZINC000016051902 PDB chain 2clf Chain A Residue 1269 [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 2clf Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex. Resolution 1.7 Å Binding residue (original residue number in PDB) P18 G395 Binding residue (residue number reindexed from 1) P17 G394 Annotation score 1 Binding affinity MOAD: Kd=280uM PDBbind-CN: -logKd/Ki=3.55,Kd=280uM

Enzymatic activity Catalytic site (original residue number in PDB) K87 E109 S377 Catalytic site (residue number reindexed from 1) K86 E108 S376 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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