Structure of PDB 5h41 Chain A Binding Site BS02

Receptor Information
>5h41 Chain A (length=1113) Species: 357809 (Lachnoclostridium phytofermentans ISDg) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GILKTLSAPIILENSNSTFTFLPGGDNFEWIHESIMINAFQGNTLDGSTN
NLYLRIYKDNSLAFYPLIGMNSKSTIKSGTSTLIFEGTAEDISYTVTFRL
TPYGIWFWDISLSGNCNKADIIYSQDIGVGTKGSVNSNELYLAQYLGHSI
FQGDYGYVICSRQNMAQGDLFPYLQQGSLGIRSIAYSTDGTQFFGLSYKK
TNIPEALYGDLPSKNKQYELAHTALQTEAFSLSGTKQFSFYGICKTNHPE
VIREIEYIQELEKAYAYHESGEILPVNVPTLQNIGAPYASSRWDAKQVEH
YFPKRLLEEKEEEALLSFFTPEKSHVVLQDKELTTERPHGHILMTNFDVT
KVPQGVVSSTNYMYGAFNCQFVVGNTTYNKLLSNHRGLLNIQKDSGQRIF
IKIGDCYRQLTLPAAYEMNVAGSTWYYQLDEDVLIITSFAMYNRPEIVLK
VQSLGHKKYDFIVTHQLTVGPNEYENEIKLTREGNILQLSPTDPVVTNHF
YPELSFRMRIPEDCTLSDDSIFFHNNTTINPSLLSIEILQKSSFDIVMQG
FDTGNVIPFLDQYDYKEQLEAYRIYYDQLVCNFKLSAPDKIPLSAEKLNA
IIHWYAHDALIHFASPHGLEQSGGAAWGTRDVCQGPIEFFLTTGHFDLVR
HILITLYSHQIEGGFEWPQWFMFDHYPIHQEDCHGDVVFWPLKAISDYIQ
ATGDTSILNELVDYRTAKDALPTNQPETILIHIKRAVTTIKNRYLSGTAL
ISYAGGDWDDTLQPANSELKENLVSAWTQALAEQTLELLCSAIKGIDHDF
SKELSHMANDIRTSFYQYLIKDGVIAGFLYRESEEHMKYMLHPDDTESSI
HYRLLPLTRSIIAQLADFKLATRNLEIIDEHLACPDGVRLMDHPASYSGG
ISKIFLRAEQAANVGREISLQYVHAHIRYIEALATMGLSKKAWDALMRIN
PILLTDYVPNALTRQSNVYFSSSEGCFDDRYEYAKNFDKLRTGDINVKGG
WRLYSSGPGIYIRRIIADLLGIRFGHNVIHIDPVVTKELDGVTLQFTCFG
KTVFFTYHVDDTMDKHICVKSNNNILPGDNLNNIYRDGGIQIAKDVFLSA
AMSDNNFHIYVKN
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain5h41 Chain C Residue 2 [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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PDB5h41 Mechanistic insight into the substrate specificity of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y141 D760 R907 R916 E917 W1001
Binding residue
(residue number reindexed from 1)		Y141 D760 R907 R916 E917 W1001
Annotation score2
Enzymatic activity
Enzyme Commision number 2.4.1.333: 1,2-beta-oligoglucan phosphorylase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
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:5h41, PDBe:5h41, PDBj:5h41
PDBsum5h41
PubMed28198470
UniProtA9KJS6

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