Structure of PDB 2ohf Chain A Binding Site BS01

Receptor Information
>2ohf Chain A (length=327) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IGRFGTSLKIGIVGLPNVGKSTFFNVLTNDPNESRVPVPDERFDFLCQYH
KPASKIPAFLNVVDIAGGNAFLSHISACDGIFHLTRAVDPIRDIEIIHEE
LQLKDEEMIGPIIDKLEKVAKPEYDIMCKVKSWVIDKPVRFYHDWNDKEI
EVLNKHLFLTSKPMVYLVNLSEKDYIRKKNKWLIKIKEWVDKYDPGALVI
PFSGALELKLQELSAEERQKYLEANMTQSALPKIIKAGFAALQLEYFFTA
GPDEVRAWTIRKGTKAPQAAGKIHTDFEKGFIMAEVMKYEDFKEEGSENA
VKAAGKYRQQGRNYIVEDGDIIFFKFN
Ligand information
Ligand IDACP
InChIInChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKeyUFZTZBNSLXELAL-IOSLPCCCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC11 H18 N5 O12 P3
NamePHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER;
ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE
ChEMBLCHEMBL133463
DrugBankDB03909
ZINCZINC000008295124
PDB chain2ohf Chain A Residue 9001 [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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PDB2ohf Human OLA1 defines an ATPase subfamily in the Obg family of GTP-binding proteins
Resolution2.7 Å
Binding residue
(original residue number in PDB)		P31 N32 V33 G34 K35 S36 T37 L231 S232 A266
Binding residue
(residue number reindexed from 1)		P16 N17 V18 G19 K20 S21 T22 L170 S171 A205
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0043023 ribosomal large subunit binding
GO:0045296 cadherin binding
GO:0046872 metal ion binding
Biological Process
GO:0046034 ATP metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005813 centrosome
GO:0005829 cytosol
GO:0016020 membrane
GO:0031093 platelet alpha granule lumen
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2ohf, PDBe:2ohf, PDBj:2ohf
PDBsum2ohf
PubMed17430889
UniProtQ9NTK5|OLA1_HUMAN Obg-like ATPase 1 (Gene Name=OLA1)

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