Structure of PDB 5jmf Chain A Binding Site BS01

Receptor Information
>5jmf Chain A (length=638) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSQELKSEVFSLLNLDYPGLEKVKALHQEGKDEDAAKALLDYYRARTNVK
TPDINLKKITIGKEEQQWADDGLKHTFFYNYGEDINWQYWPVKDNELRWQ
LHRHKWFTPMGKAYRVSGDEKYAKEWAYQYIDWIKKNPLVKMDKKEYELV
SDGKIKGEVENVRFAWRPLEVSNRLQDQTTQFQLFLPSPSFTPDFLTEFL
VNYHKHAVHILANYSDQGNHLLFEAQRMIYAGAFFPEFKEAPAWRKSGID
ILNREVNVQVYNDGGQFELDPHYHLAAINIFCKALGIADVNGFRNEFPQE
YLDTIEKMIMFYANISFPDYTNPCFSDAKITEKKEMLKNYRAWSKLFPKN
ETIKYLATDGKEGALPDYMSKGFLKSGFFVFRNSWGMDATQMVVKAGPKG
FWHCQPDNGTFEMWFNGKNLFPDSGSYVYAGEGEVMEQRNWHRQTSVHNT
VTLDNKNLETTESVTKLWQPEGNIQTLVTENPSYKNFKHRRSVFFVDNTY
FVIVDEVSGSAKGSVNLHYQMPKGEIANSREDMTFLTQFEDGSNMKLQCF
GPEGMSMKKEPGWCSTAYRKRYKRMNVSFNVKKDNENAVRYITVIYPVKK
SADAPKFDAKFKNKTFDENGLEIEVKVNGKKQSLKYKL
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 chain5jmf Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jmf Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).
Resolution1.854 Å
Binding residue
(original residue number in PDB)		Q433 D451 H476
Binding residue
(residue number reindexed from 1)		Q405 D423 H448
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:5jmf, PDBe:5jmf, PDBj:5jmf
PDBsum5jmf
PubMed27621378
UniProtQ89YS4

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