Structure of PDB 4awd Chain B Binding Site BS01

Receptor Information
>4awd Chain B (length=292) Species: 310297 (Phocaeicola plebeius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYSLAEEHIKNLPEAPEGYKWVVNEDYTDEFNGKRLNAAKWHAKSPYWTN
GRPPATFKAENVSVKKGCLRIINTVLSPTEGLDGKPGDKYRLAGGAVASV
KNQAHYGYYETRMKASLTTMSSTFWLSNRPVMKEIMKIKTWSSQELDIIE
TMGIIRSVNPDNPWNKTWNMQMNSNTHYWYQEQGGKRTDNTAKRSDVVSY
MTDPSAEDFHTYGCWWVDANTVKFYYDGKYMYTIKPTTKYTDTPFDRPMF
IHIVTETYDWEKQVPTAEDLKDKDKSTTYYDWVRAYKLVPIE
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 chain4awd Chain B Residue 1321 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4awd Bacteria of the human gut microbiome catabolize red seaweed glycans with carbohydrate-active enzyme updates from extrinsic microbes.
Resolution2.4 Å
Binding residue
(original residue number in PDB)
E54 N56 G91 D309
Binding residue
(residue number reindexed from 1)
E30 N32 G67 D281
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.178: beta-porphyranase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033916 beta-agarase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function

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Biological Process
External links
PDB RCSB:4awd, PDBe:4awd, PDBj:4awd
PDBsum4awd
PubMed23150581
UniProtB5CY92|PORB_PHOPM Beta-porphyranase B (Gene Name=BACPLE_01689)

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