Structure of PDB 6ura Chain B Binding Site BS01

Receptor Information
>6ura Chain B (length=440) Species: 1806508 (Candidatus Promineifilum breve) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYKAGVRAYAVDYYVPDYIPQDTDLLCAFRIQPRGVDMIEAAAAVAAESS
TGTWTEVWSNQLTDIDFYKAKVYAITGDIAYIAYPLDLFEENSVVNIMSS
IVGNVFGFKAVGALRLEDMRIPLALVKTFPGPRVGIYDERVWSNKWDRPL
IGGTVKPKLGLSPKAYSTIIYECLSGGLDTSKDDENMNSQPFSRWRDRFM
YAQEAVDRAAAETNEFKGHWHNVTAGSTEESLRRLEYAYELGSRMVMFDF
LTAGFAASADIFKRAGELDMIVHCHRAMHAVFTRQANHGIAMRVVAKWLR
LTGGDHLHTGTVVGKLEGSWNDTLGIIDILRERYVKANLEHGLYFDQDFG
GLKASWPVASGGIHVHHVPDLLKIYGNDAFFLFGGGTHGHPDGSRAGAIA
NRAAVEAVSAGQTLQQAARSCPELRKSLELWADVKFEVVQ
Ligand information
Ligand IDCAP
InChIInChI=1S/C6H14O13P2/c7-3(1-18-20(12,13)14)4(8)6(11,5(9)10)2-19-21(15,16)17/h3-4,7-8,11H,1-2H2,(H,9,10)(H2,12,13,14)(H2,15,16,17)/t3-,4-,6-/m1/s1
InChIKeyITHCSGCUQDMYAI-ZMIZWQJLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(C(COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[C](O)(CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)(C(=O)O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@](O)(CO[P](O)(O)=O)C(O)=O
FormulaC6 H14 O13 P2
Name2-CARBOXYARABINITOL-1,5-DIPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain6ura Chain A Residue 501 [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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PDB6ura Novel bacterial clade reveals origin of form I Rubisco.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		T76 W77 N127
Binding residue
(residue number reindexed from 1)		T53 W54 N104
Annotation score2
Enzymatic activity
Enzyme Commision number 4.1.1.39: ribulose-bisphosphate carboxylase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016829 lyase activity
GO:0016984 ribulose-bisphosphate carboxylase activity
GO:0046872 metal ion binding
Biological Process
GO:0015977 carbon fixation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6ura, PDBe:6ura, PDBj:6ura
PDBsum6ura
PubMed32868887
UniProtA0A160T9D2

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