Structure of PDB 4qxa Chain A Binding Site BS01

Receptor Information
>4qxa Chain A (length=172) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLFKIILLGDGGVGKSSLMNRYVTNKFDSQLFHTIGVEFLNKDLEVDGHF
VTMQIWDTAGLERFRSLRTPFYRGSDCCLLTFSVDDSQSFQNLSNWKKEF
IYYADVKEPESFPFVILGNKTDIKERQVSTEEAQAWCKDNGDYPYFETSA
KDSTNVAAAFEEAVRRILATED
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 chain4qxa Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qxa Crystal structure of the Rab9A-RUTBC2 RBD complex reveals the molecular basis for the binding specificity of Rab9A with RUTBC2.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G16 G17 G19 K20 S21 S22 F32 S34 H38 T39 G65 N124 K125 D127 I128 S154 K156
Binding residue
(residue number reindexed from 1)		G11 G12 G14 K15 S16 S17 F27 S29 H33 T34 G60 N119 K120 D122 I123 S149 K151
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0019003 GDP binding
GO:0042802 identical protein binding
Biological Process
GO:0015031 protein transport
GO:0032482 Rab protein signal transduction
Cellular Component
GO:0000139 Golgi membrane
GO:0005764 lysosome
GO:0005768 endosome
GO:0005770 late endosome
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0030659 cytoplasmic vesicle membrane
GO:0030670 phagocytic vesicle membrane
GO:0042470 melanosome
GO:0045335 phagocytic vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4qxa, PDBe:4qxa, PDBj:4qxa
PDBsum4qxa
PubMed25220469
UniProtQ9R0M6|RAB9A_MOUSE Ras-related protein Rab-9A (Gene Name=Rab9a)

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