Structure of PDB 2h57 Chain C Binding Site BS02

Receptor Information
>2h57 Chain C (length=166) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVHVLCLGLDNSGKTTIINKLKPSNAQSQNILPTIGFSIEKFKSSSLSFT
VFDMSGQGRYRNLWEHYYKEGQAIIFVIDSSDRLRMVVAKEELDTLLNHP
DIKHRRIPILFFANKMDLRDAVTSVKVSQLLCLENIKDKPWHICASDAIK
GEGLQEGVDWLQDQIQ
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain2h57 Chain C 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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PDB2h57 Crystal structure of human ADP-ribosylation factor-like 6 (CASP Target)
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D26 N27 S28 G29 K30 T31 T32 T50 G72 N130 K131 D133 D163 A164 I165
Binding residue
(residue number reindexed from 1)		D10 N11 S12 G13 K14 T15 T16 T34 G56 N114 K115 D117 D147 A148 I149
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q73
Catalytic site (residue number reindexed from 1) Q57
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0005543 phospholipid binding
GO:0046872 metal ion binding
Biological Process
GO:0006612 protein targeting to membrane
GO:0006886 intracellular protein transport
GO:0007368 determination of left/right symmetry
GO:0007601 visual perception
GO:0015031 protein transport
GO:0016055 Wnt signaling pathway
GO:0016192 vesicle-mediated transport
GO:0030030 cell projection organization
GO:0032402 melanosome transport
GO:0051258 protein polymerization
GO:0060271 cilium assembly
GO:0061512 protein localization to cilium
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005879 axonemal microtubule
GO:0005886 plasma membrane
GO:0005929 cilium
GO:0005930 axoneme
GO:0015630 microtubule cytoskeleton
GO:0016020 membrane
GO:0030117 membrane coat
GO:0042995 cell projection
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2h57, PDBe:2h57, PDBj:2h57
PDBsum2h57
PubMed
UniProtQ9H0F7|ARL6_HUMAN ADP-ribosylation factor-like protein 6 (Gene Name=ARL6)

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