Structure of PDB 5kgn Chain A Binding Site BS02

Receptor Information
>5kgn Chain A (length=530) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMANNSSVANKVCLIVIDGWGVSEDPYGNAILNAQTPVMDKLCSGNWAQI
EAHGLHVGLPEGLMGNSEVGHLNIGAGRVIYQDIVRINLAVKNNKFVTNE
SLVDACDRAKNGNGRLHLAGLVSDGGVHSHIDHMFALVKAIKELGVPELY
LHFYGDGRDTSPNSGVGFLEQTLEFLEKTTGYGKLATVVGRYYAMDRDNR
WERINVAYEAMIGGVGETSDEAGVVEVVRKRYAADETDEFLKPIILQGEK
GRVQNDDTIIFFDYRADRMREISAAMGMDRYKDCNSKLAHPSNLQVYGMT
QYKAEFPFKSLFPPASNKNVLAEWLAEQKVSQFHCAETEKYAHVTFFFNG
GLEKQFEGEERCLVPSPKVATYDLQPEMSAAGVADKMIEQLEAGTHPFIM
CNFAPPDMVGHTGVYEAAVKACEATDIAIGRIYEATQKHGYSLMVTADHG
NAEKMKAPDGGKHTAHTCYRVPLTLSHPGFKFVDPADRHPALCDVAPTVL
AIMGLPQPAEMTGVSIVQKIKLAAALEHHH
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 chain5kgn Chain A Residue 603 [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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PDB5kgn Macrocycle peptides delineate locked-open inhibition mechanism for microorganism phosphoglycerate mutases.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		I50 L51 A53 T55
Binding residue
(residue number reindexed from 1)		I31 L32 A34 T36
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D37 S86 D178 R284 K359 D426 H430 D467 H468 H485
Catalytic site (residue number reindexed from 1) D18 S67 D159 R265 K340 D407 H411 D448 H449 H466
Enzyme Commision number 5.4.2.12: phosphoglycerate mutase (2,3-diphosphoglycerate-independent).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004619 phosphoglycerate mutase activity
GO:0016853 isomerase activity
GO:0030145 manganese ion binding
GO:0046537 2,3-bisphosphoglycerate-independent phosphoglycerate mutase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006007 glucose catabolic process
GO:0006096 glycolytic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5kgn, PDBe:5kgn, PDBj:5kgn
PDBsum5kgn
PubMed28368002
UniProtG5EFZ1|GPMI_CAEEL 2,3-bisphosphoglycerate-independent phosphoglycerate mutase (Gene Name=ipgm-1)

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