Structure of PDB 5opj Chain A Binding Site BS01

Receptor Information
>5opj Chain A (length=772) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HQVSYFSLQDVKLLSSPFLQAQQTDLHYILALDPDRLSAPFLREAGLTPK
APSYTNWENTGLDGHIGGHYLSALSMMYAATGDTAIYHRLNYMLNELHRA
QQAVGTGFIGGTPGSLQLWKEIKAGDIRAGGFSLNGKWVPLYNIHKTYAG
LRDAYLYAHSDLARQMLIDLTDWMIDITSGLSDNQMQDMLRSEHGGLNET
FADVAEITGDKKYLKLARRFSHKVILDPLIKNEDRLNGMHANTQIPKVIG
YKRVAEVSKNDKDWNHAAEWDHAARFFWNTVVNHRSVCIGGNSVREHFHP
SDNFTSMLNDVQGPETCNTYNMLRLTKMLYQNSGDVDNSNKPDPRYVDYY
ERALYNHILSSQEPDKGGFVYFTPMRPGHYRVYSQPETSMWCCVGSGLEN
HTKYGEFIYAHQQDTLYVNLFIPSQLNWKEQGVTLTQETLFPDDEKVTLR
IDKAAKKNLTLMIRIPEWAYEITINGKKHLSDIQTGASTYLPIRRKWKKG
DMITFHLPMKVSLEQIPDKKDYYAFLYGPIVLATSTGTENLDGIYADDSR
GGHIAHGRQTPLQEIPMLIGNPDSIRHSLHKLSGSKLAFSYDGNVYPTQS
LELIPFFRLHNSRYAVYFRQASEEQFKTIQEEMATAERKATELANRTVDL
IFPGEQQPESDHSIQYEASETGTHKDRHFRRAKGWFSYNLKIKEEASQLM
ITVRQEDRNKAVILLNNEKLTVHPTVSKADKDGFIRLCYLLPRKLKVGSC
EILFKPDGTEWTSAVYEVRLLK
Ligand information
Ligand IDAHR
InChIInChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
InChIKeyHMFHBZSHGGEWLO-QMKXCQHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(OC(O)C1O)CO
FormulaC5 H10 O5
Namealpha-L-arabinofuranose;
alpha-L-arabinose;
L-arabinose;
arabinose
ChEMBL
DrugBankDB03142
ZINCZINC000002569310
PDB chain5opj Chain A Residue 901 [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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PDB5opj Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		W81 Y166 E217 H264 N266 E320 E339 C416 Q689
Binding residue
(residue number reindexed from 1)		W57 Y142 E193 H240 N242 E296 E315 C392 Q657
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5opj, PDBe:5opj, PDBj:5opj
PDBsum5opj
PubMed29255254
UniProtQ8AAW3

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