Structure of PDB 4aq0 Chain B Binding Site BS01

Receptor Information
>4aq0 Chain B (length=764) Species: 1710 (Cellulosimicrobium cellulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYASLVDVFVGTEGDFGNDMPAAQAPNGLAKVNPRTTPGRNNTGYDYAQS
KISGFTHTNLDGVGGSGGGGDLLVVPTSGSYTARPGTGTYAHPFSHDDED
AGPGFYSVGLGNVAGTDGAITGAPGTIEAEVAAATRSGVHRYAFPAGSTP
SLVVDLETNNTSRRSSSVQVETRADGTVELSGQVTGYFYNAAYTLYYTAR
TLQPATVQTWGDDDRLVDATAQDGVDTGAILTFDPADAGEIGLQVTLSPV
SVEQARIDQQVELGDLSFDAIRDRTRAEWNATLGRVAIDASTATDPTGEL
QRLFYTHLYRMFAMPMNATSTSGTYRGVDGAVHAAQGFTYYDSWATWDDF
RKFSVIAYIDPALYRDMVQSLVYLFADAEATGTGGGLGGFVHSVPTVRWE
RSSVVVADAIAKGFDGFDRLDEAYPALQRLVGQYSADELRRGYVAGNPGA
SVQRGYDQYGLSVIADELGLTEEAETLREQASWPIEKLTKPGAWTAADGT
QVGLLTPRAADGSWQSADHAKFEAAGLYQGTLWQYHWYDAYDMDALVEAM
GGHEAARLGMRHMFGEHAPDDGKAMLHSNANEIDLQAPYLFNYTGEPSLT
QKWARAIYTKETWNRYIATGSSSAVPSGGGEFTPPLKTKVYRLDPRGMLP
TMDNDAGTMSTMFVAAAVGLFPVTAGSSQFQVGSPFFDSTTITYDDGSAF
TVTADGVSEDAFYVQSATLDGATFGNTWVDYATVVGGADLAFRMGEQPSD
WGTDTAPAFSMSTA
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 chain4aq0 Chain B Residue 1772 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4aq0 A Bacterial Glycosidase Enables Mannose-6-Phosphate Modification and Improved Cellular Uptake of Yeast-Produced Recombinant Human Lysosomal Enzymes.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		N588 E589 D662
Binding residue
(residue number reindexed from 1)		N581 E582 D655
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.24: alpha-mannosidase.
Gene Ontology
Molecular Function
GO:0000224 peptide-N4-(N-acetyl-beta-glucosaminyl)asparagine amidase activity
GO:0004559 alpha-mannosidase activity
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006515 protein quality control for misfolded or incompletely synthesized proteins
GO:0006516 glycoprotein catabolic process
GO:0006517 protein deglycosylation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4aq0, PDBe:4aq0, PDBj:4aq0
PDBsum4aq0
PubMed23159880
UniProtM1E1E9

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