Structure of PDB 6non Chain B Binding Site BS01

Receptor Information
>6non Chain B (length=252) Species: 43988 (Cyanothece) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKTLVIASLSGGQGKTTTAFFLGKLLSQSAKVLFIDADPQSNLTFFLGH
EVEPSAPTLLELIKDMVEPADAVYSLANSNQFLIPSDDGLSNAQEYLASS
GMGAVVLKARLKPLSEYFDYCIIDSPPARTQISIATIGAADQLLIPAEAS
TKGVNSLIRTLEIVQSLEKLGAFTGSILGVIPFRDKWFGLSQSKDSAGAI
AAMKEVAPQLRIFPSILESERYKQALNQGILLSELGYPDLEKPFEGVKEA
LG
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 chain6non 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6non Structures of maintenance of carboxysome distribution Walker-box McdA and McdB adaptor homologs.
Resolution2.68 Å
Binding residue
(original residue number in PDB)		G12 Q13 G14 K15 T16 T17 F182 R183 L216 S218 Y221 K222
Binding residue
(residue number reindexed from 1)		G13 Q14 G15 K16 T17 T18 F183 R184 L217 S219 Y222 K223
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:6non, PDBe:6non, PDBj:6non
PDBsum6non
PubMed31106331
UniProtB7KMS4|MCDA_GLOC7 Maintenance of carboxysome distribution protein A (Gene Name=mcdA)

[Back to BioLiP]