Structure of PDB 4hp5 Chain A Binding Site BS01

Receptor Information
>4hp5 Chain A (length=559) Species: 55212 (Erwinia rhapontici) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NALPTWWKQAVFYQVYPRSFKDTNGDGIGDLNGIIENLDYLKKLGIDAIW
INPHYDSPNTDNGYDIRDYRKIMKEYGTMEDFDRLISEMKKRNMRLMIDI
VINHTSDQHAWFVQSKSGKNNPYRDYYFWRDGKDGHAPNNYPSFFGGSAW
EKDDKSGQYYLHYFAKQQPDLNWDNPKVRQDLYDMLRFWLDKGVSGLRFD
TVATYSKIPNFPDLSQQQLKNFAEEYTKGPKIHDYVNEMNREVLSHYDIA
TAGAIFGVPLDKSIKFFDRRRNELNIAFTFDLIRLDRDADERWRRKDWTL
SQFRKIVDKVDQTAGEYGWNAFFLDNHDNPRAVSHFGDDRPQWREHAAKA
LATLTLTQRATPFIYQGSELGMTNYPFKKIDDFDDVEVKGFWQDYVETGK
VKAEEFLQNVRQTSRDNSRTPFQWDASKNAGFTSGTPWLKINPNYKEINS
ADQINNPNSVFNYYRKLINIRHDIPALTYGSYIDLDPDNNSVYAYTRTLG
AEKYLVVINFKEEVMHYTLPGDLSINKVITENNSHTIVNKNDRQLRLEPW
QSGIYKLNP
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 chain4hp5 Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hp5 The crystal structure of isomaltulose synthase mutant E295A from Erwinia rhapontici NX5 in complex with D-glucose
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D63 N65 D67 I69 D71
Binding residue
(residue number reindexed from 1)		D22 N24 D26 I28 D30
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D140 R239 D241 A295 H368 D369
Catalytic site (residue number reindexed from 1) D99 R198 D200 A254 H327 D328
Enzyme Commision number 5.4.99.11: isomaltulose synthase.
Gene Ontology
Molecular Function
GO:0004556 alpha-amylase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009313 oligosaccharide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4hp5, PDBe:4hp5, PDBj:4hp5
PDBsum4hp5
PubMed
UniProtD9MPF2

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