Structure of PDB 5hqm Chain A Binding Site BS03

Receptor Information
>5hqm Chain A (length=459) Species: 1085,258594 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSNRYANLNLKESELIAGGRHVLCAYIMKPKAGFGNFIQTAAHFAAESST
GTNVEVSTTDDFTRGVDALVYEVDEANSLMKIAYPIELFDRNVIDGRAMI
ASFLTLTIGNNQGMGDVEYAKMYDFYVPPAYLKLFDGPSTTIKDLWRVLG
RPVINGGFIVGTIIKPKLGLRPQPFANACYDFWLGGDFIKNDEPQGNQVF
APFKDTVRAVADAMRRAQDKTGEAKLFSFNITADDHYEMLARGEFILETF
ADNADHIAFLVDGYVAGPAAVTTARRAFPKQYLHYHRAGHGAVTSPQSKR
GYTAFVLSKMARLQGASGIHTGTMGFGKMEGEAADRAIAYMITEDAADGP
YFHQEWLGMNPTTPIISGGMNALRMPGFFDNLGHSNLIMTAGGGAFGHVD
GGAAGAKSLRQAEQCWKQGADPVEFAKDHREFARAFESFPQDADKLYPNW
RAKLGVEDT
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 chain5hqm Chain B 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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PDB5hqm Structure function studies of R. palustris RubisCO.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		T54 N112
Binding residue
(residue number reindexed from 1)		T52 N110
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) L25 K167 K192 N193 D194 E195 H288 H322 K330
Catalytic site (residue number reindexed from 1) L23 K165 K190 N191 D192 E193 H286 H320 K328
Enzyme Commision number 4.1.1.39: ribulose-bisphosphate carboxylase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004497 monooxygenase activity
GO:0016829 lyase activity
GO:0016984 ribulose-bisphosphate carboxylase activity
GO:0046872 metal ion binding
Biological Process
GO:0015977 carbon fixation
GO:0015979 photosynthesis
GO:0019253 reductive pentose-phosphate cycle

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5hqm, PDBe:5hqm, PDBj:5hqm
PDBsum5hqm
PubMed
UniProtP04718|RBL2_RHORU Ribulose bisphosphate carboxylase (Gene Name=cbbM);
Q6N0W9|RBL2_RHOPA Ribulose bisphosphate carboxylase (Gene Name=cbbM)

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