Structure of PDB 9cc9 Chain A Binding Site BS01

Receptor Information
>9cc9 Chain A (length=850) Species: 4100 (Nicotiana benthamiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEVENLLQLLTDNVSAKGELENLLKEVQHLKGFLDDAAKLPSDSEQWKVL
VEEIQKTVHTAEDAVDKFVVQAKLHKEKNKMARILDVGHLATVRNLAAEV
KGIHDQVKELRLNNQALQARPTLELPQQGPALEDDEVVGFDEEANKVINR
LVKESKDLDIIPVVGMPGLGKTTLARKIYKDPKLSYEFFGVHWVYVGQSY
KIKDVFLNILKFFTRRTEDYQHEDVDALAKVIAGFINKGGRCLICLDDVW
ETKVIDYVKTIFPENEKGHRVMMTTRNKVLATYANSDPHDLKFLTPKESF
ELLVKRVFGKKPCPKDLVGHGESIAGKCGGVPLAVVVIAGALRGRPNTSD
WIRVERNVVQHLYTNSEESCLKFVEMSYDHLPQEVQTCFLYCGVFPRGFD
IPSWKVIRLWIAEGLIKPQESYTLEEIAEFYLNDLVNRNLVILQQKRSDG
QIKTCRLHVMLHQFCKKEASNKWLFQEVSLTPDQAIDPNKSRRLCIQPSN
LKDFLSKKPSAEHVRSFYCFSSKEKQIRGLTPNDIKLIHKAFPLVRVLDV
ESLKFLFSKDFNQLFHLRYIAISGDFNAIPLTFGKFWNLQTLILNTSTSE
STLDVKADIWNMLQLRHLHTNIPAKLQPPTATTSGKASCLQTLCMVAPES
CEKEVLAKACHLKKLSIRGQMAAFLGAYKGGINNLVELKCLEQLKLLNDV
LYMNKAPHLPQTFSQLVRTVKKLTLTNTRFAWSEADKLGQLESLEILKFK
ENAFAGDSWKPKMGFSALRVLWIERAEFETWEASEINFPVLRNLVLMSCD
KLETVPFELANLSDLYEMRLENTSKAVKSAKAILESKTDKNIKFNLTIFP
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 chain9cc9 Chain A Residue 901 [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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PDB9cc9 Activation of the helper NRC4 immune receptor forms a hexameric resistosome.
Resolution3.54 Å
Binding residue
(original residue number in PDB)		L151 E155 P186 G187 L188 G189 K190 T191 T192 D267 R295 L321 R325 P351 L352
Binding residue
(residue number reindexed from 1)		L132 E136 P167 G168 L169 G170 K171 T172 T173 D248 R276 L302 R306 P332 L333
Annotation score4
External links