Structure of PDB 5jmd Chain A Binding Site BS01

Receptor Information
>5jmd Chain A (length=646) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSQELKSEVFSLLNLDYPGLEKVKALHQEGKDEDAAKALLDYYRARTNVK
TPDINLKKITIGKEEQQWADDGLKHTFFVHKGYQPSYNYGEDINWQYWPV
KDNELRWQLHRHKWFTPMGKAYRVSGDEKYAKEWAYQYIDWIKKNPLVKM
DKKEYELVSDGKIKGEVENVRFAWRPLEVSNRLQDQTTQFQLFLPSPSFT
PDFLTEFLVNYHKHAVHILANYSDQGNHLLFEAQRMIYAGAFFPEFKEAP
AWRKSGIDILNREVNVQVYNDGGQFELDPHYHLAAINIFCKALGIADVNG
FRNEFPQEYLDTIEKMIMFYANISFPDYTNPCFSDAKITEKKEMLKNYRA
WSKLFPKNETIKYLATDGKEGALPDYMSKGFLKSGFFVFRNSWGMDATQM
VVKAGPKGFWHCQPDNGTFEMWFNGKNLFPDSGSYVYAGEGEVMEQRNWH
RQTSVHNTVTLDNKNLETTESVTKLWQPEGNIQTLVTENPSYKNFKHRRS
VFFVDNTYFVIVDEVSGSAKGSVNLHYQMPKGEIANSREDMTFLTQFEDG
SNMKLQCFGPEGMSMKKEPGWCSTAYRKRYKRMNVSFNVKKDNENAVRYI
TVIYPVKKSADAPKFDAKFKNKTFDENGLEIEVKVNGKKQSLKYKL
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 chain5jmd Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jmd Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Q433 D451 H476
Binding residue
(residue number reindexed from 1)		Q413 D431 H456
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:5jmd, PDBe:5jmd, PDBj:5jmd
PDBsum5jmd
PubMed27621378
UniProtQ89YS4

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