Structure of PDB 7xql Chain A Binding Site BS01

Receptor Information
>7xql Chain A (length=444) Species: 272624 (Legionella pneumophila subsp. pneumophila str. Philadelphia 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDKLSAPLDMLKQMNESTMEQTKLDELRKKMSLQAEILNKAKADNDMFFR
LLIELMSLKLQGELFKEQLSKISKESGYDSAQSALIQATNSEGQSPLQYA
LQKQDFSTAKYFLDNGAKAGPIEKAVFEIALDSKAAKEFGFPPLPPEKEK
LHPVKNFGLVLGIKTTSVDGTPSQFGHIAPTYQLMTDSVSHFAKSHPGNK
NFQEIANAFQFSNEASAFKFSTPQRNPEAGNDLARRIQGGELTTIPVSCK
GHAMGLSYVPDGPGSKSGYLVYTNRGLGAKSSEHGTHIFRIEDSSKITPE
FINNMTSGHSNGASHDEIMSQIKAAAGNKEPIHHIKQKGQKNDNCTIANS
KSNIEGILLCQKAREVGGFDKLTESDMDSVKKEYKEFTKHMRVEKVNELA
KALKENPQDPDLNNLTKEYLKQHPNADPKLKQTLETALKQASES
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain7xql Chain A 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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PDB7xql Structure of Legionella pneumophila effector LegA15
Resolution2.272 Å
Binding residue
(original residue number in PDB)		L175 L177 R291 Q353 K354 I363 A364 K367 S368 Y400 T404 R408
Binding residue
(residue number reindexed from 1)		L159 L161 R275 Q337 K338 I347 A348 K351 S352 Y384 T388 R392
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links