Structure of PDB 7t1j Chain E Binding Site BS01
Receptor Information
>7t1j Chain E (length=453) Species:
1629718
(Rhodospirillaceae bacterium BRH_c57) [
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DQSNRYANLSLREEDLIAGGKHVLCAYIMKPKAGYGYLESAAHFAAESST
GTNVEVCTTDDFTRGVDALVYEIDEANELMKIAYPVDLFDRNIIDGRAML
ASFLTLAIGNNQGMGDIEYAKIHDVYFPPCYLRLFDGPAMNIVDMWRVLE
RPLVDGGMVVGTIIKPKLGLRPEPFAAACYQFWLGGDFIKNDEPQGNQVF
APLRTIMPMIADSMRRAQDETGQAKLFSANITADDPAEMYARGEFILETF
GEFADHVAFLVDGYVAGPTAVTACRRRFPQQFLHYHRAGHGAVTSPQSKR
GYTAFVHCKMSRLSGASGIHTGTMGYGKMEGDADDKAIAYMLEQDDAQGP
YFRQTWQGMKATTPIISGGMNALRLPGFFDNLGHSNVIQTSGGGAFGHKD
GGAAGAKSLRQASLAWQQGVDLLDYAKEHPELAGAFESFPKDADALYPNW
REK
Ligand information
Ligand ID
CAP
InChI
InChI=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
InChIKey
ITHCSGCUQDMYAI-ZMIZWQJLSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C(C(C(COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341
O[CH](CO[P](O)(O)=O)[CH](O)[C](O)(CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04
O=P(O)(O)OCC(O)C(O)C(O)(C(=O)O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0
C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341
O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@](O)(CO[P](O)(O)=O)C(O)=O
Formula
C6 H14 O13 P2
Name
2-CARBOXYARABINITOL-1,5-DIPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain
7t1j Chain E Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
7t1j
Structural plasticity enables evolution and innovation of RuBisCO assemblies.
Resolution
1.96 Å
Binding residue
(original residue number in PDB)
I164 K166 K168 K191 D193 E194 R288 H321 K329 S368 G369 G370 S392 G393 G394
Binding residue
(residue number reindexed from 1)
I163 K165 K167 K190 D192 E193 R287 H320 K328 S367 G368 G369 S391 G392 G393
Annotation score
2
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
PDBsum
7t1j
PubMed
36026446
UniProt
A0A0F2R9T6
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