Structure of PDB 4drz Chain A Binding Site BS01

Receptor Information
>4drz Chain A (length=160) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNYSYIFKYIIIGDMGVGKSCLLHQFTEKKCPHTIGVEFGTRIIEVSGQK
IKLQIWDTAAVTRSYYRGAAGALMVYDITRRSTYNHLSSWLTDARNLTNP
NTVIILIGNKADLEAQRDVTYEEAKQFAEENGLLFLEASAKTGENVEDAF
LEAAKKIYQN
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 chain4drz Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4drz Crystal structure of human RAB14
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G21 V22 G23 K24 S25 C26 N124 K125 D127 L128 S154 A155 K156
Binding residue
(residue number reindexed from 1)		G16 V17 G18 K19 S20 C21 N109 K110 D112 L113 S139 A140 K141
Annotation score4
Enzymatic activity
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:0006895 Golgi to endosome transport
GO:0032456 endocytic recycling
GO:0042742 defense response to bacterium
GO:0090382 phagosome maturation
Cellular Component
GO:0005802 trans-Golgi network
GO:0045335 phagocytic vesicle
GO:0055037 recycling endosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4drz, PDBe:4drz, PDBj:4drz
PDBsum4drz
PubMed
UniProtP61106|RAB14_HUMAN Ras-related protein Rab-14 (Gene Name=RAB14)

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