Structure of PDB 9cc9 Chain I Binding Site BS01

Receptor Information
>9cc9 Chain I (length=849) Species: 4100 (Nicotiana benthamiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVENLLQLLTDNVSAKGELENLLKEVQHLKGFLDDAAKLPSDSEQWKVLV
EEIQKTVHTAEDAVDKFVVQAKLHKEKNKMARILDVGHLATVRNLAAEVK
GIHDQVKELRLNNQALQARPTLELPQQGPALEDDEVVGFDEEANKVINRL
VKESKDLDIIPVVGMPGLGKTTLARKIYKDPKLSYEFFGVHWVYVGQSYK
IKDVFLNILKFFTRRTEDYQHEDVDALAKVIAGFINKGGRCLICLDDVWE
TKVIDYVKTIFPENEKGHRVMMTTRNKVLATYANSDPHDLKFLTPKESFE
LLVKRVFGKKPCPKDLVGHGESIAGKCGGVPLAVVVIAGALRGRPNTSDW
IRVERNVVQHLYTNSEESCLKFVEMSYDHLPQEVQTCFLYCGVFPRGFDI
PSWKVIRLWIAEGLIKPQESYTLEEIAEFYLNDLVNRNLVILQQKRSDGQ
IKTCRLHVMLHQFCKKEASNKWLFQEVSLTPDQAIDPNKSRRLCIQPSNL
KDFLSKKPSAEHVRSFYCFSSKEKQIRGLTPNDIKLIHKAFPLVRVLDVE
SLKFLFSKDFNQLFHLRYIAISGDFNAIPLTFGKFWNLQTLILNTSTSES
TLDVKADIWNMLQLRHLHTNIPAKLQPPTATTSGKASCLQTLCMVAPESC
EKEVLAKACHLKKLSIRGQMAAFLGAYKGGINNLVELKCLEQLKLLNDVL
YMNKAPHLPQTFSQLVRTVKKLTLTNTRFAWSEADKLGQLESLEILKFKE
NAFAGDSWKPKMGFSALRVLWIERAEFETWEASEINFPVLRNLVLMSCDK
LETVPFELANLSDLYEMRLENTSKAVKSAKAILESKTDKNIKFNLTIFP
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 I 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 V156 V157 P186 G187 L188 G189 K190 T191 T192 D267 R295 L321 R325
Binding residue
(residue number reindexed from 1)		L131 E135 V136 V137 P166 G167 L168 G169 K170 T171 T172 D247 R275 L301 R305
Annotation score4
External links