Structure of PDB 5h40 Chain B Binding Site BS01

Receptor Information
>5h40 Chain B (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 chain5h40 Chain D Residue 1 [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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PDB5h40 Mechanistic insight into the substrate specificity of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D631 Y1004
Binding residue
(residue number reindexed from 1)		D631 Y1004
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:5h40, PDBe:5h40, PDBj:5h40
PDBsum5h40
PubMed28198470
UniProtA9KJS6

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