Structure of PDB 5ykb Chain A Binding Site BS01

Receptor Information
>5ykb Chain A (length=529) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEWYKSAVFYELSVRTFQDGNGDGKGDFPGLTSRLDYLKNLGVDCLWLLP
WFPSPLRDDGYDVADYRGIHPDLGTLDDFKVFLREAHARGLWVIGDLVTN
HTSSDHPWFQAARRGPTLPDGSPNEYHDYYVWSDNWTLDEQAGKYYWHRF
FASQPDLNYDNPKVVEELHGAARFWLDLGLDGFRVDAVPYLIEREGTSCE
NLPETHEILKGFRAMVDREYPGRLLLAEAFQWPEEVVEYFGTEAEPEFHM
CFNFPVMPRLYMSLKREDTSSIREIMGRLPKIPSFGQWCIFLRNHDELTL
EMVTDDERAFMYAAYAPDARMKINVGIRRRLAPLLDNDRRRIELLNTVLL
ALPGSPVLYYGDEIGMGDDLGLPDRNGVRTPMQWNAGTSGGFSTAQPSDC
FFPPIQDPVYGFGRVNVQSQLQDPSSLLKWTARQLELRRAHPAFAHGDLT
FIETGNPAILAFTRQYDGETLLIVSNFAGNAQAGLLDLAPFVGRAPVTLS
GASPLPVVTGNGQYPVVMGKYDYYWLRLN
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 chain5ykb Chain A Residue 600 [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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PDB5ykb The N253F mutant structure of trehalose synthase from Deinococcus radiodurans reveals an open active-site topology
Resolution2.76 Å
Binding residue
(original residue number in PDB)		N105 D179 Y213 L214 E216
Binding residue
(residue number reindexed from 1)		N100 D156 Y190 L191 E193
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D101 R207 D209 E251 H318 D319
Catalytic site (residue number reindexed from 1) D96 R184 D186 E228 H295 D296
Enzyme Commision number 5.4.99.16: maltose alpha-D-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
GO:0047471 maltose alpha-D-glucosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5ykb, PDBe:5ykb, PDBj:5ykb
PDBsum5ykb
PubMed29095151
UniProtI3NX86

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