Structure of PDB 9d8a Chain A Binding Site BS01

Receptor Information
>9d8a Chain A (length=172) Species: 86630 (Rhizopus azygosporus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSNRILLLVGLPGSGKSTLSKELVKCKSGWERINQDDMGSRKACEMHAKR
FLNKKLSIVIDRCNFDEKQRKTWIDLGQKYNVPVDCIVLTATEQECSERI
QCRVDHPTGVIGDSGVQILKRFMRNYRPPRIDQLEGIQRILYLDPSPEPY
CTPERIDTIFHLLDQCPILEQM
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain9d8a Chain A Residue 5001 [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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PDB9d8a Structure of Rhizopus azygosporus Kinase in complex with GDP and MG
Resolution1.65 Å
Binding residue
(original residue number in PDB)		G13 G15 K16 S17 T18 R99 R103 P145 S146 E148 P149
Binding residue
(residue number reindexed from 1)		G13 G15 K16 S17 T18 R99 R103 P145 S146 E148 P149
Annotation score4
External links