Structure of PDB 6l2h Chain A Binding Site BS01

Receptor Information
>6l2h Chain A (length=687) Species: 44252 (Paenibacillus macerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPDTSVDNKVNFSTDVIYQIVTDRFADGDRTNNPAGDAFSGDRSNLKLYF
GGDWQGIIDKINDGYLTGMGVTALWISQPVENITSVIKYSGVNNTSYHGY
WARDFKQTNDAFGDFADFQNLIDTAHAHNIKVVIDFAPNHTSPADRDNPG
FAENGALYDNGSLLGAHSNDTAGLFHHNGGTDFSTIEDGIYKNLYDLADI
NHNNNAMDAYFKSAIDLWLGMGVDGIRFDAVKHMPFGWQKSFVSSIYGGD
HPVFTFGEWYLGADQTDGDNIKFANESGMNLLDFEYAQEVREVFRDKTET
MKDLYEVLASTESQYDYINNMVTFIDNHDMDRFQVAGSGTRATEQALALT
LTSRGVPAIYYGTEQYMTGDGDPNNRAMMTSFNTGTTAYKVIQALAPLRK
SNPAIAYGTTTERWVNNDVLIIERKFGSSAALVAINRNSSAAYPISGLLS
SLPAGTYSDVLNGLLNGNSITVGSGGATTNFTLAAGGTAVWQYTAPETSP
AIGNVGPTMGQPGNIVTIDGRGFGGTAGTVYFGTTVVTGSGIVSWEDTQI
KAVIPKVAAGKTGVSVKTSSGTASNTFKSFNVLTGDQVTMRFLVNQANTN
YGTNVYLVGNAAELGSWDPNKAIGPMYNQVIAKYPSWYYDVSVPAGTKLD
FKFIKKGGGTVTWEGGGNHTYTTPASSVGTVTVDWQN
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 chain6l2h Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6l2h Structure basis of a mutant a-CGTase tyrosine167histidine from Bacillus sp. 602-1 with enhanced a-CD production
Resolution2.096 Å
Binding residue
(original residue number in PDB)		D58 D60 N63 N64 G82 D84
Binding residue
(residue number reindexed from 1)		D27 D29 N32 N33 G51 D53
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R258 D260 E289 H359 D360
Catalytic site (residue number reindexed from 1) R227 D229 E258 H328 D329
Enzyme Commision number 2.4.1.19: cyclomaltodextrin glucanotransferase.
Gene Ontology
Molecular Function
GO:0004556 alpha-amylase activity
GO:0016757 glycosyltransferase activity
GO:0030246 carbohydrate binding
GO:0043169 cation binding
GO:0043895 cyclomaltodextrin glucanotransferase activity
GO:0046872 metal ion binding
GO:2001070 starch binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6l2h, PDBe:6l2h, PDBj:6l2h
PDBsum6l2h
PubMed
UniProtP04830|CDGT1_PAEMA Cyclomaltodextrin glucanotransferase (Gene Name=cgtM)

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