Structure of PDB 8cmy Chain I Binding Site BS01

Receptor Information
>8cmy Chain I (length=445) Species: 167375 (Cyanobium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYRDTYWTPDYVPLDTDLLACFKCTGQEGVPKEEVAAAVAAESSTGTWST
VWSELLVDLDFYKGRCYRIEDVPGDKEAFYAFIAYPLDLFEEGSVTNVLT
SLVGNVFGFKALRHLRLEDIRFPMAFIKTCPGPPNGICVERDRMNKYGRP
LLGCTIKPKLGLSGKNYGRVVYECLRGGLDFTKDDENINSQPFQRWQNRF
EFVAEAVALAQQETGEKKGHYLNCTAATPEEMYERAEFAKELGQPIIMHD
YITGGFTANTGLSKWCRKNGMLLHIHRAMHAVIDRHPKHGIHFRVLAKCL
RLSGGDQLHTGTVVGKLEDRQTTLGFIDQLRESFIPEDRSRGNFFDQDWG
SMPGVFAVASGGIHVWHMPALVAIFGDDSVLQFGGGTHGHPWGSAAGAAA
NRVALEACVKARNAGREIEKESRDILMEAAKHSPELAIALETWKE
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 chain8cmy Chain G Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cmy Single-particle cryo-EM analysis of the shell architecture and internal organization of an intact alpha-carboxysome.
Resolution3.79 Å
Binding residue
(original residue number in PDB)		S59 T60
Binding residue
(residue number reindexed from 1)		S49 T50
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:0009853 photorespiration
GO:0015977 carbon fixation
GO:0019253 reductive pentose-phosphate cycle
Cellular Component
GO:0031470 carboxysome

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8cmy, PDBe:8cmy, PDBj:8cmy
PDBsum8cmy
PubMed37015227
UniProtA5CKD0

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