Structure of PDB 6l1q Chain B Binding Site BS01

Receptor Information
>6l1q Chain B (length=267) Species: 243159 (Acidithiobacillus ferrooxidans ATCC 23270) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSILNQYLVGKEPFYQPQHDEVALFEAAYRKRLPVMVKGPTGCGKSRFVE
FMAWRLGKPLVTVACNEDMTAADLVGRWLLDKDGTRWQDGPLTVAARYGA
ICYLDEIVEARQDTTVVIHPLTDHRRTLPLDKKGELIRAHPDFQLVISYN
PGYQSLMKDLKQSTKQRFTGFEFDYPNAELEAGILVQETGVAPSIAAQLV
TVAATARRLKGHGLDEGISTRLLVYAAMLMDDGVAPRAACRMALVQPITD
DADIRATLEHAIDMTFA
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 chain6l1q 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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PDB6l1q Insights into the mechanism and regulation of the CbbQO-type Rubisco activase, a MoxR AAA+ ATPase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F19 Y20 Q21 G47 C48 G49 K50 S51 R52 I189 E193 R226
Binding residue
(residue number reindexed from 1)		F14 Y15 Q16 G42 C43 G44 K45 S46 R47 I184 E188 R221
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:6l1q, PDBe:6l1q, PDBj:6l1q
PDBsum6l1q
PubMed31848241
UniProtB7J5E4

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