Structure of PDB 8u4f Chain A Binding Site BS05

Receptor Information
>8u4f Chain A (length=614) Species: 279010 (Bacillus licheniformis DSM 13 = ATCC 14580) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPHNYAELLQKSLLFYEAQRSGRLPENSRLNWRGDSGLEDGKDVGLDLTG
GWYDAGDHVKFGLPMAYSAAILSWSVYEYRDAYKESGQLDAALDNIKWAT
DYFLKAHTAPYELWGQVGNGALDHAWWGPAEVMPMKRPAYKIDAGCPGSD
LAGGTAAALASASIIFKPTDSSYSEKLLAHAKQLYDFADRYRGKYSDCIT
DAQQYYNSWSGYKDELTWGAVWLYLATEEQQYLDKALASVSDWGDPANWP
YRWTLSWDDVTYGAQLLLARLTNDSRFVKSVERNLDYWSTGYSHNGSIER
ITYTPGGLAWLEQWGSLRYASNAAFLAFVYSDWVDTEKAKRYRDFAVRQT
EYMLGDNPQQRSFVVGYGKNPPKHPHHRTAHGSWANQMNVPENHRHTLYG
ALVGGPGRDDSYRDDITDYASNEVAIDYNAAFTGNVAKMFQLFGKGHVPL
PDFPEKETPEDEYFAEASINSSGNSYTEIRAQLNNRSGWPAKKTDQLSFR
YYVDLTEAVEAGYSAEDIKVTAGYNEGASVSELKPHDASKHIYYTEVSFS
GVLIYPGGQSAHKKEVQFRLSAPDGTSFWNPENDHSYQGLSHALLKTRYI
PVYDDGRLVFGHEP
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 chain8u4f Chain A Residue 706 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8u4f Molecular mechanism of cellulose depolymerization by the two-domain BlCel9A enzyme from the glycoside hydrolase family 9.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		D507 E510 N583 N586 D587
Binding residue
(residue number reindexed from 1)		D504 E507 N580 N583 D584
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0030248 cellulose binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8u4f, PDBe:8u4f, PDBj:8u4f
PDBsum8u4f
PubMed38286536
UniProtQ65JI9

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