Structure of PDB 5mqr Chain A Binding Site BS02

Receptor Information
>5mqr Chain A (length=1082) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRIHYTGKELSNPTYHDGQLSPVVGVHNIQLVRANREHPEASNGNGWTYN
HQPMLAYWNGQFYYQYLADPSDEHVPPSQTFLMTSKDGYQWTNPEIVFPP
YKVPDGYTKESRPGMQAKDLIAIMHQRVGFYVSKSGRLITMGNYGVALDK
KDDPNDGNGIGRVVREIKKDGSFGPIYFIYYNHGFNEKNTDYPYFKKSKD
REFVKACQEILDNPLYMMQWVEEADREDPIIPLKKGYKAFNCYTLPDGRI
ASLWKHALTSISEDGGHTWAEPVLRAKGFVNSNAKIWGQRLSDGTYATVY
NPSEFRWPLAISLSKDGLEYTTLNLVHGEITPMRYGGNYKSYGPQYPRGI
QEGNGVPADGDLWVSYSVNKEDMWISRIPVPVQINASAHADDDFSKSGSI
AELTNWNIYSPVWAPVSLEGEWLKLQDKDPFDYAKVERKIPASKELKVSF
DLSAGQNDKGILQIDFLDENSIACSRLELTPDGIFRMKGGSRFANMMNYE
AGKTYHVEAVLSTADRNIQVYVDGKRVGLRMFYAPVATIERIVFRTGEMR
TFPTVDTPADQTYDLPDAGGQEPLAEYRIANVKTSSTDKDASSAFLKYAD
FSHYAESFNGMEDENIVQAIPNAKASEWMEENIPLFECPQRNFEEMYYYR
WWSLRKHIKETPVGYGMTEFLVQRSYSDKYNLIACAIGHHIYESRWLRDP
KYLDQIIHTWYRGNDGGPMKKMDKFSSWNADAVLARYMVDGDKDFMLDMT
KDLETEYQRWERTNRLKNGLYWQGDVQDGMEESISGGRNKKYARPTINSY
MYGNAKALSIMGILSGDEGMAMRYGMRADTLKSLVENDLWNTRHQFFETM
RTDSSANVREAIGYIPWYFNLPDTTKKYEVAWKEIMDEKGFSAPYGLTTA
ERRHPEFRTRGVGKCEWDGAIWPFASAQTLTAMANFMNNYPQTVLSDSVY
FRQMELYVESQYHRGRPYIGEYLDEVTGYWLKGDQERSRYYNHSTFNDLM
ITGLIGLRPRLDDTIEINPLIPADKWDWFCLDNVLYHGHNLTILWDKNGD
RYHCGKGLRIFVNGKEAGHADTLTRLVCENAL
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 chain5mqr Chain A Residue 1209 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5mqr Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D453 D455 D458 E598
Binding residue
(residue number reindexed from 1)		D427 D429 D432 E572
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.187: (Ara-f)3-Hyp beta-L-arabinobiosidase.
Gene Ontology
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Biological Process
External links
PDB RCSB:5mqr, PDBe:5mqr, PDBj:5mqr
PDBsum5mqr
PubMed28329766
UniProtQ8A8Z7

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