Structure of PDB 5hk4 Chain A Binding Site BS01

Receptor Information
>5hk4 Chain A (length=457) Species: 1076 (Rhodopseudomonas palustris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDQSNRYANLNLKESELIAGGRHVLCAYIMKPKAGFGNFIQTAAHFVAES
STGTNVEVSTTDDFTRGVDALVYEVDEANSLMKIAYPIELFDRNVIDGRA
MIASFLTLTIGNNQGMGDVEYAKMYDFYVPPAYLKLFDGPSTTIKDLWRV
LGRPVINGGFIVGTIIKPKLGLRPQPFANACYDFWLGGDFIKNDEPQGNQ
VFAPFKDTVRAVADAMRRAQDKTGEAKLFSFNITADDHYEMLARGEFILE
TFADNADHIAFLVDGYVAGPAAVTTARRAFPKQYLHYHRAGHGAVTSPQS
KRGYTAFVLSKMARLQGASGIHTGTMGFGKAEGEAADRAIAYMITEDAAD
GPYFHQEWLGMNPTTPIISGGMNALRMPGFFDNLGHSNLIMTAGGGAFGH
VDGGAAGAKSLRQAEQCWKQGADPVEFAKDHREFARAFESFPQDADKLYP
NWRAKLK
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 chain5hk4 Chain A Residue 500 [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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PDB5hk4 Structure function studies of R. palustris RubisCO.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		I165 K167 K192 D194 E195 H288 R289 H322 K330 S369 G370 G371 G394
Binding residue
(residue number reindexed from 1)		I165 K167 K192 D194 E195 H288 R289 H322 K330 S369 G370 G371 G394
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) L25 K167 K192 N193 D194 E195 H288 H322 K330
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:5hk4, PDBe:5hk4, PDBj:5hk4
PDBsum5hk4
PubMed
UniProtQ6N0W9|RBL2_RHOPA Ribulose bisphosphate carboxylase (Gene Name=cbbM)

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