Structure of PDB 7t1j Chain C Binding Site BS01

Receptor Information
>7t1j Chain C (length=454) Species: 1629718 (Rhodospirillaceae bacterium BRH_c57) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDQSNRYANLSLREEDLIAGGKHVLCAYIMKPKAGYGYLESAAHFAAESS
TGTNVEVCTTDDFTRGVDALVYEIDEANELMKIAYPVDLFDRNIIDGRAM
LASFLTLAIGNNQGMGDIEYAKIHDVYFPPCYLRLFDGPAMNIVDMWRVL
ERPLVDGGMVVGTIIKPKLGLRPEPFAAACYQFWLGGDFIKNDEPQGNQV
FAPLRTIMPMIADSMRRAQDETGQAKLFSANITADDPAEMYARGEFILET
FGEFADHVAFLVDGYVAGPTAVTACRRRFPQQFLHYHRAGHGAVTSPQSK
RGYTAFVHCKMSRLSGASGIHTGTMGYGKMEGDADDKAIAYMLEQDDAQG
PYFRQTWQGMKATTPIISGGMNALRLPGFFDNLGHSNVIQTSGGGAFGHK
DGGAAGAKSLRQASLAWQQGVDLLDYAKEHPELAGAFESFPKDADALYPN
WREK
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 chain7t1j Chain C 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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PDB7t1j Structural plasticity enables evolution and innovation of RuBisCO assemblies.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		I164 K166 K191 D193 E194 H287 R288 H321 K329 S368 G369 G370 S392 G393
Binding residue
(residue number reindexed from 1)		I164 K166 K191 D193 E194 H287 R288 H321 K329 S368 G369 G370 S392 G393
Annotation score2
Enzymatic activity
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:0019253 reductive pentose-phosphate cycle

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7t1j, PDBe:7t1j, PDBj:7t1j
PDBsum7t1j
PubMed36026446
UniProtA0A0F2R9T6

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