Structure of PDB 1z0k Chain A Binding Site BS02

Receptor Information
>1z0k Chain A (length=169) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYDFLFKFLVIGNAGTGKSCLLHQFIEKKFKDDSNHTIGVEFGSKIINVG
GKYVKLQIWDTAGLERFRSVTRSYYRGAAGALLVYDITSRETYNALTNWL
TDARMLASQNIVIILCGNKKDLDADREVTFLEASRFAQENELMFLETSAL
TGEDVEEAFVQCARKILNK
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 chain1z0k Chain A Residue 1200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1z0k Structural basis of family-wide Rab GTPase recognition by rabenosyn-5.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		A17 G18 T19 G20 K21 S22 C23 F33 S37 H39 T40 A65 G66 N121 K122 D124 L125 S151 A152 L153
Binding residue
(residue number reindexed from 1)		A14 G15 T16 G17 K18 S19 C20 F30 S34 H36 T37 A62 G63 N118 K119 D121 L122 S148 A149 L150
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) L67
Catalytic site (residue number reindexed from 1) L64
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0032482 Rab protein signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:1z0k, PDBe:1z0k, PDBj:1z0k
PDBsum1z0k
PubMed16034420
UniProtP20338|RAB4A_HUMAN Ras-related protein Rab-4A (Gene Name=RAB4A)

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