Structure of PDB 3zjc Chain A Binding Site BS02

Receptor Information
>3zjc Chain A (length=283) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLRIVLVGKTGSGKSATANTILGEEIFDSRIAAQAVTKNCQKASREWQGR
DLLVVDTPGLFDSLDTTCKEISRCIISSCPGPHAIVLVLQLGRYTEEEQK
TVALIKAVFGKSAMKHMVILFTRKEELEGQSFHDFIADADVGLKSIVKEC
GNRCCAFSNSTSKAEKESQVQELVELIEKMVQCNEGAYFSDDIYKDTEER
LKQREEVLRKIYTDQLNEEIKLVEEDKHKSEEEKEKEIKLLKLKYDEKIK
NIREEAERNIFKDVFNRIWKMLSEIWHRFLSKC
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 chain3zjc Chain A Residue 1297 [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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PDB3zjc Structural Insights Into the Mechanism of Gtpase Activation in the Gimap Family.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		T17 G18 G20 K21 S22 A23 S36 R37 I38 V43 T44 R133 E135 S168 N169
Binding residue
(residue number reindexed from 1)		T10 G11 G13 K14 S15 A16 S29 R30 I31 V36 T37 R123 E125 S158 N159
Annotation score3
Binding affinityPDBbind-CN: -logKd/Ki=5.05,Kd=9uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0046039 GTP metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0005811 lipid droplet

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3zjc, PDBe:3zjc, PDBj:3zjc
PDBsum3zjc
PubMed23454188
UniProtQ8NHV1|GIMA7_HUMAN GTPase IMAP family member 7 (Gene Name=GIMAP7)

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