Structure of PDB 1g17 Chain B Binding Site BS02

Receptor Information
>1g17 Chain B (length=168) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIMKILLIGDSGVGKSCLLVRFVEDKFNPSFITTIGIDFKIKTVDINGKK
VKLQIWDTAGQERFRTITTAYYRGAMGIILVYDITDERTFTNIKQWFKTV
NEHANDEAQLLLVGNKSDMETRVVTADQGEALAKELGIPFIESSAKNDDN
VNEIFFTLAKLIQEKIDS
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 chain1g17 Chain B Residue 202 [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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PDB1g17 Crystal structures of a Rab protein in its inactive and active conformations.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S29 G30 V31 G32 K33 S34 C35 F45 N46 P47 S48 F49 T51 T52 G78 N133 K134 D136 M137 S162 A163 K164
Binding residue
(residue number reindexed from 1)		S11 G12 V13 G14 K15 S16 C17 F27 N28 P29 S30 F31 T33 T34 G60 N115 K116 D118 M119 S144 A145 K146
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) Q79
Catalytic site (residue number reindexed from 1) Q61
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:1g17, PDBe:1g17, PDBj:1g17
PDBsum1g17
PubMed11099382
UniProtP07560|SEC4_YEAST Ras-related protein SEC4 (Gene Name=SEC4)

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