Structure of PDB 2ew1 Chain A Binding Site BS02

Receptor Information
>2ew1 Chain A (length=171) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYDFLFKIVLIGNAGVGKTCLVRRFTQGLFPPGQGATIGVDFMIKTVEIN
GEKVKLQIWDTAGQERFRSITQSYYRSANALILTYDITCEESFRCLPEWL
REIEQYASNKVITVLVGNKIDLAERREVSQQRAEEFSEAQDMYYLETSAK
ESDNVEKLFLDLACRLISEAR
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 chain2ew1 Chain A Residue 700 [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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PDB2ew1 Crystal structure of RAB30 in complex with a GTP analogue
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G18 V19 G20 K21 T22 C23 F33 A39 T40 G66 N121 K122 D124 L125 S151 A152 K153
Binding residue
(residue number reindexed from 1)		G15 V16 G17 K18 T19 C20 F30 A36 T37 G63 N118 K119 D121 L122 S148 A149 K150
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) V25 Q67
Catalytic site (residue number reindexed from 1) V22 Q64
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
Biological Process
GO:0007030 Golgi organization
GO:0016192 vesicle-mediated transport
GO:0032482 Rab protein signal transduction
Cellular Component
GO:0000139 Golgi membrane
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005795 Golgi stack
GO:0005801 cis-Golgi network
GO:0005802 trans-Golgi network
GO:0016020 membrane
GO:0031985 Golgi cisterna
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ew1, PDBe:2ew1, PDBj:2ew1
PDBsum2ew1
PubMed
UniProtQ15771|RAB30_HUMAN Ras-related protein Rab-30 (Gene Name=RAB30)

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