Structure of PDB 6noo Chain B Binding Site BS01

Receptor Information
>6noo Chain B (length=259) Species: 43988 (Cyanothece) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLVPRGSHMKTLVIASLSGGQGKTTTAFFLGKLLSQSAKVLFIDADPQSN
LTFFLGHEVEPSAPTLLELIKDMVEPADAVYSLANSNQFLIPSDDGLSNA
QEYLASSGMGAVVLKARLKPLSEYFDYCIIDSPPARTQISIATIGAADQL
LIPAEASTKGVNSLIRTLEIVQSLEKLGAFTGSILGVIPFRDKWFGLSQS
KDSAGAIAAMKEVAPQLRIFPSILESERYKQALNQGILLSELGYPDLEKP
FEGVKEALG
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6noo Chain B Residue 501 [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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PDB6noo Structures of maintenance of carboxysome distribution Walker-box McdA and McdB adaptor homologs.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G11 G12 Q13 G14 K15 T16 T17 P126 F182 R183 E217 S218 Y221 K222
Binding residue
(residue number reindexed from 1)		G19 G20 Q21 G22 K23 T24 T25 P134 F190 R191 E225 S226 Y229 K230
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
Biological Process
GO:0015977 carbon fixation
Cellular Component
GO:0005737 cytoplasm
GO:0009295 nucleoid

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6noo, PDBe:6noo, PDBj:6noo
PDBsum6noo
PubMed31106331
UniProtB7KMS4|MCDA_GLOC7 Maintenance of carboxysome distribution protein A (Gene Name=mcdA)

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