Structure of PDB 5jy7 Chain B Binding Site BS01

Receptor Information
>5jy7 Chain B (length=571) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPNAEDFGHARTLPTDTNWFKHAVFYEVLVRAFYDSNADGIGDLRGLTEK
LDYIKWLGVDCLWLPPFYDSPLRDGGYDIRDFYKVLPEFGTVDDFVTLLD
AAHRRGIRIITDLVMNHTSDQHEWFQESRHNPDGPYGDFYVWSDTSDRYP
DARIIFVDTEESNWTFDPVRRQFYWHRFFSHQPDLNYDNPAVQEAMLDVL
RFWLDLGIDGFRLDAVPYLFEREGTNCENLPETHAFLKRCRKAIDDEYPG
RVLLAEANQWPADVVAYFGDPDTGGDECHMAFHFPLMPRIFMAVRRESRF
PISEILAQTPPIPDTAQWGIFLRNHDELTLEMVTDEERDYMYAEYAKDPR
MKANVGIRRRLAPLLENDRNQIELFTALLLSLPGSPVLYYGDEIGMGDII
WLGDRDSVRTPMQWTPDRNAGFSKATPGRLYLPPNQDAVYGYHSVNVEAQ
LDSSSSLLNWTRNMLAVRSRHDAFAVGTFRELGGSNPSVLAYIREVTRQQ
GDGGAKTDAVLCVNNLSRFPQPIELNLQQWAGYIPVEMTGYVEFPSIGQL
PYLLTLPGHGFYWFQLREPDP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5jy7 Chain B Residue 601 [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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PDB5jy7 Crystal structure of the TreS-Pep2 complex, initiating alpha-glucan synthesis in the GlgE pathway of mycobacteria.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		N132 D200 Y234 L235 E237
Binding residue
(residue number reindexed from 1)		N116 D184 Y218 L219 E221
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D128 R228 D230 E272 H341 D342
Catalytic site (residue number reindexed from 1) D112 R212 D214 E256 H325 D326
Enzyme Commision number 3.2.1.1: alpha-amylase.
5.4.99.16: maltose alpha-D-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004556 alpha-amylase activity
GO:0005509 calcium ion binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016853 isomerase activity
GO:0046872 metal ion binding
GO:0047471 maltose alpha-D-glucosyltransferase activity
Biological Process
GO:0000023 maltose metabolic process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0005977 glycogen metabolic process
GO:0005978 glycogen biosynthetic process
GO:0005991 trehalose metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5jy7, PDBe:5jy7, PDBj:5jy7
PDBsum5jy7
PubMed30877199
UniProtA0R6E0|TRES_MYCS2 Trehalose synthase/amylase TreS (Gene Name=treS)

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