Structure of PDB 3r1m Chain A Binding Site BS02

Receptor Information
>3r1m Chain A (length=356) Species: 273063 (Sulfurisphaera tokodaii str. 7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTTISVIKADIGSLAGHHIVHPDTMAAANKVLASAKEQGIILDYYITHV
GDDLQLIMTHTRGELDTKVHETAWNAFKEAAKVAKDLGLYAAGQDLLSDS
FSGNVRGLGPGVAEMEIEERASEPIAIFMADKTEPGAYNLPLYKMFADPF
NTPGLVIDPTMHGGFKFEVLDVYQGEAVMLSAPQEIYDLLALIGTPARYV
IRRVYRNEDNLLAAVVSIERLNLIAGKYVGKDDPVMIVRLQHGLPALGEA
LEAFAFPHLVPGWMRGSHYGPLMPVSQRDAKATRFDGPPRLLGLGFNVKN
GRLVGPTDLFDDPAFDETRRLANIVADYMRRHGPFMPHRLEPTEMEYTTL
PLRFKK
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 chain3r1m Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3r1m Structural basis for the bifunctionality of fructose-1,6-bisphosphate aldolase/phosphatase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D53 D54 D132 D234
Binding residue
(residue number reindexed from 1)		D52 D53 D131 D233
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.11: fructose-bisphosphatase.
4.1.2.13: fructose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004332 fructose-bisphosphate aldolase activity
GO:0016787 hydrolase activity
GO:0016829 lyase activity
GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0006740 NADPH regeneration
GO:0016311 dephosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:3r1m, PDBe:3r1m, PDBj:3r1m
PDBsum3r1m
PubMed21983966
UniProtF9VMT6|FBPAP_SULTO Fructose-1,6-bisphosphate aldolase/phosphatase (Gene Name=fbp)

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