Structure of PDB 7pi1 Chain BBB Binding Site BS02

Receptor Information
>7pi1 Chain BBB (length=456) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRRPAGKKIPFQKDSFLQQFEKLAQSRKHHVLLESARGGRYSIAGLDPIA
TVKGKDGITTIKHGDEMLFKEGDPLRAFHSWFKTLETETNHEFPDFQGGA
IGFLSYDYARYIENFKMLSLDDLETPDIYFLVFDDIAVYDHQEESLWLIT
HVNGQETADVKLSELEQMWLTELPAVETAGSFAAPFTEDGFSQAVEKIKQ
YIASGDVFQVNLSIRQSQSLSVHPYQIYKTLREVNPSPYMAYLETPDFQI
ICGSPELLVSKKGKLLETRPIAGTRSRGKTNEEDEALANELIHNEKERAE
HVMLVDLERNDLGRVSRYGSVRVNEFMAIEKYSHVMHIVSNVQGELQDGY
DAVDIIHAVFPGGTITGAPKVRTMEIIEELEPTRRGLYTGSIGWFGYNHD
LQFNIVIRTIYATGGQAFMQSGAGVVIDSVPKHEYKESFKKAFAMQRALE
LSEEET
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 chain7pi1 Chain BBB Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7pi1 Crystal structure of Bacillus subtilis PabB, component 1.
Resolution1.729 Å
Binding residue
(original residue number in PDB)		G435 E445
Binding residue
(residue number reindexed from 1)		G424 E434
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.85: aminodeoxychorismate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016740 transferase activity
GO:0046820 4-amino-4-deoxychorismate synthase activity
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0009058 biosynthetic process
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046656 folic acid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7pi1, PDBe:7pi1, PDBj:7pi1
PDBsum7pi1
PubMed
UniProtP28820|PABB_BACSU Aminodeoxychorismate synthase component 1 (Gene Name=pabB)

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