Structure of PDB 9rub Chain A Binding Site BS01

Receptor Information
>9rub Chain A (length=459) Species: 1085 (Rhodospirillum rubrum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DQSSRYVNLALKEEDLIAGGEHVLCAYIMKPKAGYGYVATAAHFAAESST
GTNVEVCTTDDFTRGVDALVYEVDEARELTKIAYPVALFDRNITDGKAMI
ASFLTLTMGNNQGMGDVEYAKMHDFYVPEAYRALFDGPSVNISALWKVLG
RPEVDGGLVVGTIIKPKLGLRPKPFAEACHAFWLGGDFIKNDEPQGNQPF
APLRDTIALVADAMRRAQDETGEAKLFSANITADDPFEIIARGEYVLETF
GENASHVALLVDGYVAGAAAITTARRRFPDNFLHYHRAGHGAVTSPQSKR
GYTAFVHCKMARLQGASGIHTGTMGFGKMEGESSDRAIAYMLTQDEAQGP
FYRQSWGGMKACTPIISGGMNALRMPGFFENLGNANVILTAGGGAFGHID
GPVAGARSLRQAWQAWRDGVPVLDYAREHKELARAFESFPGDADQIYPGW
RKALGVEDT
Ligand information
Ligand IDRUB
InChIInChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1
InChIKeyYAHZABJORDUQGO-NQXXGFSBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]([C@H](C(=O)COP(=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
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(=O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)COP(=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
FormulaC5 H12 O11 P2
NameRIBULOSE-1,5-DIPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain9rub Chain A Residue 600 [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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PDB9rub Crystal structure of activated ribulose-1,5-bisphosphate carboxylase complexed with its substrate, ribulose-1,5-bisphosphate.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		I164 H321 S368 A392
Binding residue
(residue number reindexed from 1)		I163 H320 S367 A391
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K166 K191 N192 D193 E194 H287 H321 K329
Catalytic site (residue number reindexed from 1) 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:9rub, PDBe:9rub, PDBj:9rub
PDBsum9rub
PubMed1905726
UniProtP04718|RBL2_RHORU Ribulose bisphosphate carboxylase (Gene Name=cbbM)

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