Structure of PDB 2pwf Chain C Binding Site BS02

Receptor Information
>2pwf Chain C (length=556) Species: 265293 (Burkholderia ubonensis subsp. mesacidophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGAPWWKSAVFYQVYPRSFKDTNGDGIGDFKGLTEKLDYLKGLGIDAIWI
NPHYASPNTDNGYDISDYREVMKEYGTMEDFDRLMAELKKRGMRLMVDVV
INHSSDQHEWFKSSRASKDNPYRDYYFWRDGKDGHEPNNYPSFFGGSAWE
KDPVTGQYYLHYFGRQQPDLNWDTPKLREELYAMLRFWLDKGVSGMRFAT
VATYSKTPGFPDLTPEQMKNFAEAYTQGPNLHRYLQEMHEKVFDHYDAVT
AGEIFGAPLNQVPLFIDSRRKELDMAFTFDLIRYDRALDRWHTIPRTLAD
FRQTIDKVDAIAGEYGWNTFFLGNHDNPRAVSHFGDDRPQWREASAKALA
TVTLTQRGTPFIFQGDELGMTNYPFKTLQDFDDIEVKGFFQDYVETGKAT
AEELLTNVALTSRDNARTPFQWDDSANAGFTTGKPWLKVNPNYTEINAAR
EIGDPKSVYSFYRNLISIRHETPALSTGSYRDIDPSNADVYAYTRSQDGE
TYLVVVNFKAEPRSFTLPDGMHIAETLIESSSPAAPAAGAASLELQPWQS
GIYKVK
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 chain2pwf Chain C Residue 7000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2pwf Trehalulose synthase native and carbohydrate complexed structures provide insights into sucrose isomerization.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D22 N24 D26 I28 D30
Binding residue
(residue number reindexed from 1)		D21 N23 D25 I27 D29
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D99 R198 A200 E254 H326 D327
Catalytic site (residue number reindexed from 1) D98 R197 A199 E253 H325 D326
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:2pwf, PDBe:2pwf, PDBj:2pwf
PDBsum2pwf
PubMed17597061
UniProtQ2PS28

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