Structure of PDB 5h42 Chain B Binding Site BS02

Receptor Information

>5h42 Chain B (length=1113) Species: 357809 (Lachnoclostridium phytofermentans ISDg)

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 ID: G1P
• InChI: InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
• InChIKey: HXXFSFRBOHSIMQ-VFUOTHLCSA-N
• SMILES:
  CACTVS 3.370: OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: O=P(O)(OC1OC(C(O)C(O)C1O)CO)O
  OpenEye OEToolkits 1.7.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.7.0: C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
• Formula: C6 H13 O9 P
• Name: 1-O-phosphono-alpha-D-glucopyranose;
  ALPHA-D-GLUCOSE-1-PHOSPHATE;
  1-O-phosphono-alpha-D-glucose;
  1-O-phosphono-D-glucose;
  1-O-phosphono-glucose
• DrugBank: DB02843
• ZINC: ZINC000004073375
• PDB chain: 5h42 Chain B Residue 1202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5h42 Mechanistic insight into the substrate specificity of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): R305 E308
• Binding residue (residue number reindexed from 1): R305 E308
• Annotation score: 5

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

External links

• PDB: RCSB:5h42, PDBe:5h42, PDBj:5h42
• PDBsum: 5h42
• PubMed: 28198470
• UniProt: A9KJS6