Structure of PDB 1rsc Chain B Binding Site BS01

Receptor Information
>1rsc Chain B (length=467) Species: 269084 (Synechococcus elongatus PCC 6301) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAAGYKAGVKDYKLTYYTPDYTPKDTDLLAAFRFSPQPGVPADEAGAAIA
AESSTGTWTTVWTDLLTDMDRYKGKCYHIEPVQGEENSYFAFIAYPLDLF
EEGSVTNILTSIVGNVFGFKAIRSLRLEDIRFPVALVKTFQGPPHGIQVE
RDLLNKYGRPMLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENINS
QPFQRWRDRFLFVADAIHKSQAETGEIKGHYLNVTAPTCEEMMKRAEFAK
ELGMPIIMHDFLTAGFTANTTLAKWCRDNGVLLHIHRAMHAVIDRQRNHG
IHFRVLAKCLRLSGGDHLHSGTVVGKLEGDKASTLGFVDLMREDHIEADR
SRGVFFTQDWASMPGVLPVASGGIHVWHMPALVEIFGDDSVLQFGGGTLG
HPWGNAPGATANRVALEACVQARNEGRDLYREGGDILREAGKWSPELAAA
LDLWKEIKFEFETMDKL
Ligand information
Ligand IDXBP
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-WUJLRWPWSA-N
SMILES
SoftwareSMILES
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
OpenEye OEToolkits 1.5.0C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
FormulaC5 H12 O11 P2
NameXYLULOSE-1,5-BISPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain1rsc Chain A Residue 476 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rsc Structure of an effector-induced inactivated state of ribulose 1,5-bisphosphate carboxylase/oxygenase: the binary complex between enzyme and xylulose 1,5-bisphosphate.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E60 T65 N123
Binding residue
(residue number reindexed from 1)		E52 T57 N115
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D203 E204 H294 H327 K334
Catalytic site (residue number reindexed from 1) D195 E196 H286 H319 K326
Enzyme Commision number 4.1.1.39: ribulose-bisphosphate carboxylase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004497 monooxygenase activity
GO:0005515 protein binding
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:0015979 photosynthesis
GO:0019253 reductive pentose-phosphate cycle
Cellular Component
GO:0031470 carboxysome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1rsc, PDBe:1rsc, PDBj:1rsc
PDBsum1rsc
PubMed7922027
UniProtP00880|RBL_SYNP6 Ribulose bisphosphate carboxylase large chain (Gene Name=cbbL)

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