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Structure of PDB 2clo Chain A Binding Site BS01

Receptor Information >2clo Chain A (length=257) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] ERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELG VPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLM YANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPI FICPPNADDDLLRQVASYGRGYTYLLSRSGVTGHHLIEKLKEYHAAPALQ GFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVS AMKAASR

Ligand information Ligand ID F19 InChI InChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16) InChIKey FCROUVVWZFPGFM-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 O[P](O)(=O)OCCN[S](=O)(=O)c1ccc2ccccc2c1 ACDLabs 10.04 O=P(O)(O)OCCNS(=O)(=O)c2ccc1c(cccc1)c2 OpenEye OEToolkits 1.5.0 c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O Formula C12 H14 N O6 P S Name 2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE ChEMBL DrugBank DB07732 ZINC ZINC000016051903 PDB chain 2clo Chain A Residue 1268 [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 2clo Allosteric Regulation of Substrate Channeling in Tryptophan Synthase: Modulation of the L-Serine Reaction in Stage I of the Beta-Reaction by Alpha-Site Ligands. Resolution 1.5 Å Binding residue (original residue number in PDB) F22 L100 I153 Y175 T183 G184 F212 S235 Binding residue (residue number reindexed from 1) F21 L99 I152 Y174 T182 G183 F202 S225 Annotation score 1 Binding affinity PDBbind-CN: -logKd/Ki=4.06,Kd=87.6uM

Enzymatic activity Catalytic site (original residue number in PDB) E49 D60 Y175 Catalytic site (residue number reindexed from 1) E48 D59 Y174 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

	Biological Process
GO:0000162	tryptophan biosynthetic process
GO:0006568	tryptophan metabolic process

	Cellular Component
GO:0005829	cytosol

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