Structure of PDB 6pta Chain C Binding Site BS01

Receptor Information
>6pta Chain C (length=164) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFASLLGRMRILMVGLDAAGKTTILYKLKLGEIVTTIPTIGFNVETVEYK
NISFTVWDVGRPLWRYYFQNTQGIIFVVDSNDRDRINEAREELQSMLNED
ELKDAVLLVLANKQDLPNAMNAAEITEKMGLHSIRNRPWFIQATCATTGD
GLYEGLEWLSNQVG
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 chain6pta Chain C Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6pta Crystal structure of the ARF family small GTPase ARF1 from Candida albicans in complex with GDP
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D26 A27 A28 G29 K30 T31 T32 N126 K127 D129 C159 T161
Binding residue
(residue number reindexed from 1)		D17 A18 A19 G20 K21 T22 T23 N112 K113 D115 C145 T147
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0006886 intracellular protein transport
GO:0008643 carbohydrate transport
GO:0015031 protein transport
GO:0016192 vesicle-mediated transport
GO:0034614 cellular response to reactive oxygen species
GO:0051666 actin cortical patch localization
Cellular Component
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6pta, PDBe:6pta, PDBj:6pta
PDBsum6pta
PubMed
UniProtP22274|ARF_CANAL ADP-ribosylation factor (Gene Name=ARF1)

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