Structure of PDB 5z0u Chain A Binding Site BS02

Receptor Information
>5z0u Chain A (length=626) Species: 2026 (Thermoactinomyces vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AANDNNVEWNGLFHDQGPLFDNAPEPTSTQSVTLKLRTFKGDITSANIKY
WDTADNAFHWVPMVWDSNDPTGTFDYWKGTIPASPSIKYYRFQINDGTST
AWYNGNGPSSTEPNADDFYIIPNFKTPDWLKNGVMYQIFPDRFYNGDSSN
DVQTGSYTYNGTPTEKKAWGSSVYADPGYDNSLVFFGGDLAGIDQKLGYI
KKTLGANILYLNPIFKAPTNHKYDTQDYMAVDPAFGDNSTLQTLINDIHS
TANGPKGYLILDGVFNHTGDSHPWFDKYNNFSSQGAYESQSSPWYNYYTF
YTWPDSYASFLGFNSLPKLNYGNSGSAVRGVIYNNSNSVAKTYLNPPYSV
DGWRLDAAQYVDHQIWSEFRNAVKGVNSNAAIIGEYWGNANPWTAQGNQW
DAATNFDGFTQPVSEWITGKDYQNNSASISTTQFDSWLRGTRANYPTNVQ
QSMMNFLSNHDITRFATRSGGDLWKTYLALIFQMTYVGTPTIYYGDEYGM
QGGADPDNRRSFDWSQATPSNSAVALTQKLITIRNQYPALRTGSFMTLIT
DDTNKIYSYGRFDNVNRIAVVLNNDSVSHTVNVPVWQLSMPNGSTVTDKI
TGHSYTVQNGMVTVAVDGHYGAVLAQ
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 chain5z0u 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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PDB5z0u Mutagenesis-induced conformational change in domain B of a pullulan-hydrolyzing alpha-amylase TVA I
Resolution1.37 Å
Binding residue
(original residue number in PDB)		N145 D147 N150 D151 G187 D189
Binding residue
(residue number reindexed from 1)		N145 D147 N150 D151 G187 D189
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D262 R354 D356 E396 H471 D472
Catalytic site (residue number reindexed from 1) D262 R354 D356 E385 H460 D461
Enzyme Commision number 3.2.1.135: neopullulanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0031216 neopullulanase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5z0u, PDBe:5z0u, PDBj:5z0u
PDBsum5z0u
PubMed
UniProtQ60053|NEPU1_THEVU Neopullulanase 1 (Gene Name=tvaI)

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