Structure of PDB 6z1e Chain B Binding Site BS01

Receptor Information
>6z1e Chain B (length=259) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYYIAPRFLDKLAVHITKNFLNIPGVRVPLILGIHGRKGEGKTFQCELAF
EKMGIEVTLISGGELESPDAGDPARLIRLRYRETAELIKVRGKMCVLMIN
DLDYTVNTQLVNATLMNIADNPTDVQLPGSYDSNPIRRVPIIVTGNDFST
LYAPLIRDGRMEKFYWEPNRDDKVGIVGGIFAEDGLSQREIEQLVDTFPK
QSIDFFSALRSRIYDIQIRDFIHKVGFERISLRVVEFKKPDFSLAHLIES
GNLVLGEQQ
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6z1e Chain B Residue 301 [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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PDB6z1e Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes.
Resolution2.454 Å
Binding residue
(original residue number in PDB)		G40 E41 G42 K43 T44 F45 I188 I192 I215 S219
Binding residue
(residue number reindexed from 1)		G39 E40 G41 K42 T43 F44 I176 I180 I203 S207
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:6z1e, PDBe:6z1e, PDBj:6z1e
PDBsum6z1e
PubMed32979320
UniProtP58555|RCA_NOSS1 Ribulose bisphosphate carboxylase/oxygenase activase (Gene Name=rca)

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