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Structure of PDB 1et0 Chain A Binding Site BS01

Receptor Information >1et0 Chain A (length=254) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MFLINGHKQESLAVSDRATQFGDGCFTTARVIDGKVSLLSAHIQRLQDAC QRLMISCDFWPQLEQEMKTLAAEQQNGVLKVVISRGSGGRGYSTLNSGPA TRILSVTAITLALSPVRLGRNPHLAGIKHLNRLEQVLIRSHLEQTNADEA LVLDSEGWVTECCAANLFWRKGNVVYTPRLDQAGVNGIMRQFCIRLLAQS SYQLVEVQASLEESLQADEMVICNALMPVMPVCACGDVSFSSATLYEYLA PLCE

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 1et0 Chain A Residue 413 [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 1et0 Three-dimensional structure of 4-amino-4-deoxychorismate lyase from Escherichia coli. Resolution 2.2 Å Binding residue (original residue number in PDB) R59 K159 E193 A196 A197 V217 G219 I220 M221 N256 A257 Binding residue (residue number reindexed from 1) R45 K128 E161 A164 A165 V185 G187 I188 M189 N224 A225 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) F36 T38 I158 K159 E193 V217 Catalytic site (residue number reindexed from 1) F26 T28 I127 K128 E161 V185 Enzyme Commision number 4.1.3.38: aminodeoxychorismate lyase.

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0008696 4-amino-4-deoxychorismate lyase activity GO:0016829 lyase activity GO:0030170 pyridoxal phosphate binding

	Biological Process
GO:0008153	para-aminobenzoic acid biosynthetic process
GO:0046394	carboxylic acid biosynthetic process
GO:0046654	tetrahydrofolate biosynthetic process
GO:0046656	folic acid biosynthetic process

	Cellular Component
GO:0005829	cytosol

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