Structure of PDB 5zcr Chain B Binding Site BS01

Receptor Information
>5zcr Chain B (length=725) Species: 523848 (Saccharolobus shibatae B12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIGTYRLQLNKGFTFYDTIENLDYFKELGVSHLYLSPILKARPGSTHGYD
VVDHSEINEELGGEEGYFKLVKEAKSRGLEIIQDIVPNHMAVHHTNWRLM
DLLKSWKNSKYYNYFDHYDDDKIILPILEDELDTVIDKGLIKLQKDNIEY
RGLVLPINDEGVEFLKRINCFDNSCLKKEDIKKLLLMQYYQLTYWKKGYP
NYRRFFAVNDLIAVRIELDEVFRESHEIIAKLPVDGLRIDHIDGLYNPKE
YLDKLRQLVGNDKIIYVEKILSINEKLRDDWKVDGTTGYDFLNYVNMLLV
DGSGEEELTKFYENFIGRKINIDELIIQSKKLVANQLFKGDIERLSKLLN
VNYDYLVDFLACMKKYRTYLPFEDINGIRECDKEGKLKDEKGIMRLQQYM
PAIFAKGYEDTTLFIYNRLISLNEVGSDLRRFSLSIEDFHNFNLSRVNTI
SMNTLSTHDTKFSEDVRARISVLSEIPKEWEERVKYWHDLLRPNIDKNDE
YRFYQTLVGSYEGFDNKERIKNHIIKVIREAKVHTTWENPNLEYEKKVLG
FIDEVFENSSFRNDFDNFEKKIVYFGYMKSLVATTLKFLSPGVPDIYQGT
EVWRFLLTDPDNRMAVDFRKLRELLNNLTEKNLELSDPRTKMLYVKKLLQ
LRREYSLNDYKPLPFGFQRGKVTVLFSPIVTREVKEKISIRQKSVDWIRN
EEISSGEYNLSELIGEHKVVILTEK
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 chain5zcr Chain B Residue 801 [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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PDB5zcr Crystal structure of glycosyltrehalose synthase from Sulfolobus shibatae DSM5389
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E269 D460
Binding residue
(residue number reindexed from 1)		E268 D459
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D85 D241 E276 G341 D342
Catalytic site (residue number reindexed from 1) D84 D240 E275 G340 D341
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0047470 (1,4)-alpha-D-glucan 1-alpha-D-glucosylmutase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005992 trehalose biosynthetic process
GO:0030980 alpha-glucan catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5zcr, PDBe:5zcr, PDBj:5zcr
PDBsum5zcr
PubMed30387780
UniProtQ7LYV2

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