Structure of PDB 9asi Chain A Binding Site BS06

Receptor Information
>9asi Chain A (length=751) Species: 1360 (Lactococcus lactis subsp. lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDKINLVCGSLLADIGKIIYRGTSERAKHSKLGGDFIKSFEQFRNTELTD
CIRYHHAQEITSVKSNKEKNSLFYITYIADNISSGMDRRKDLEEGAEGFN
WDKKVALGSVFNVLNEKEKGRQNYSYPFVAEPLNFPTATQNQYTTSYYDG
LITDMKTILQRLKPDKEHINSLLQMMESLWSYVPSSTDKNQLVDISLYDH
SRTTAAIASAIYDYFQAENITDYQKELFDYNATEFYDKNAFLMMNFDMSG
VQNFIYNISGSKALKSLRARSFYLDMLLEYISDNLLEKLELSRANILYVG
GGHAYLLLANTNKTKAILSDFEHDLKTWFLDKFKIDLYVAMAYTEVSAND
LMNHNGHYRDIYRRLSQKTSAKKANRYTAEEILNLNHQGTENARECRECK
RSDLLIEEDDICEICDSLQKVSRDLTRENIFVIANEGVLDMPFGKKMSAL
SYSQADKLKKSNAEVQIYAKNISEIGQNLMTRIDMGDYTYRSDFHEMLEE
VEVGINRLGVLRADVDNLGQAFINGIPDDYLSISRTATFSRAMSRFFKNY
LNQLLAEKSYKINVIYAGGDDLFMIGAWQDILDFSIVLKQKFADFTQNKL
SISAGIGMFREKYPVARMASLTGDLEDAAKDYKPDERAVQATKNAVTLFD
ATNVFSWDTLENDIFVKLDAITKNFEKLDETGKAFIYRLIDLLRGVNENQ
QINIARLAYTLSRMEEKIGKTFAQELYNWANADRKTLIMALEIYILKTRE
R
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain9asi Chain A Residue 806 [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]
PDB9asi Molecular basis for cA6 synthesis by a type III-A CRISPR-Cas enzyme and its conversion to cA4 production.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		Y311 Y368 F528
Binding residue
(residue number reindexed from 1)		Y305 Y362 F522
Annotation score4
External links