Structure of PDB 3r75 Chain B Binding Site BS01

Receptor Information
>3r75 Chain B (length=622) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNLFDRVLHGQAPCFALIARSTGSAGERAMIDVFAGAVSYPSSLAELPLA
APTATGADRQELLVMVPYRQLHERGFKTHDDGAPLVAITCDEHETVSAQL
ALAAIPDADTALGERHFDIDDEAYAEIVERVITDEIGTGAGSNFVIKRTL
EGDLDDYSPAKALAVFKRLMRREVGAYWIFVIHTGERTFVGATPERHLTL
HEGCATMNPISGTYRYPQSGPTIDGINAFLGDRKESDELYMVLDEELKMM
ARICPAGGQVTGPHLREMARLAHTEYFIVGHTEADVRDLLRETMFAPTVT
GSPIESATRVIARHERAGRGYYSGIAALIGRDARGGRTLDSAILIRTAEI
DRAGHVRIGVGSTLVRHSDAVSEVMETHAKVAALSNAFDPPEAGPALGQH
PSVQAALRERNEGIADFWFRPYGGRAELSGCRALIVDAEDHFTAMIAQQL
SSLGLATEVCGVHDAVDLARYDVVVMGPGPGDPSDAGDPRIARLYAWLRH
LIDEGKPFMAVCLSHQILNAILGIPLVRREVPNQGIQVEIDLFGQRERVG
FYNTYVAQTVRDEMDVDGVGTVAISRDPRTGEVHALRGPTFSSMQFHAES
VLTVDGPRILGEAITHAIRREK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3r75 Chain B Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3r75 Ligand Binding Induces an Ammonia Channel in 2-Amino-2-desoxyisochorismate (ADIC) Synthase PhzE.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E244 E382
Binding residue
(residue number reindexed from 1)		E238 E376
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N149 E201 E244 H279 T304 Y328 R352 T369 E382 K386
Catalytic site (residue number reindexed from 1) N143 E195 E238 H273 T298 Y322 R346 T363 E376 K380
Enzyme Commision number 4.1.3.27: anthranilate synthase.
Gene Ontology
Molecular Function
GO:0004049 anthranilate synthase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006541 glutamine metabolic process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3r75, PDBe:3r75, PDBj:3r75
PDBsum3r75
PubMed21454481
UniProtQ396C7

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