Structure of PDB 5zvp Chain A Binding Site BS01

Receptor Information
>5zvp Chain A (length=181) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAEIRRKLVIVGDGACGKTCLLIVNSKGTFPEVYVPTVFENYVADVEVDG
KHVELALWDTAGQEDYDRLRPLSYPDSHVILICFAIDSPDSLDNVQEKWI
SEVLHFCQGLPIILVGCKKDLRHDPKTIEELHKTSQKPVTPEQGEEVRKK
IGAYKYLECSARTNEGVREVFEAATRAALLT
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 chain5zvp Chain A Residue 201 [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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PDB5zvp Aspergillus fumigateurs Rho1 F25N
Resolution1.42 Å
Binding residue
(original residue number in PDB)		A15 G17 K18 T19 C20 F30 K118 D120 L121 S160 A161 R162
Binding residue
(residue number reindexed from 1)		A15 G17 K18 T19 C20 F30 K118 D120 L121 S160 A161 R162
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0046872 metal ion binding
Biological Process
GO:0007264 small GTPase-mediated signal transduction
GO:0043936 asexual sporulation resulting in formation of a cellular spore
Cellular Component
GO:0000148 1,3-beta-D-glucan synthase complex
GO:0001411 hyphal tip

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5zvp, PDBe:5zvp, PDBj:5zvp
PDBsum5zvp
PubMed
UniProtA0A068C8U8

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