Structure of PDB 1kpf Chain A Binding Site BS01
Receptor Information
>1kpf Chain A (length=111) Species:
9606
(Homo sapiens) [
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DTIFGKIIRKEIPAKIIFEDDRCLAFHDISPQAPTHFLVIPKKHISQISV
AEDDDESLLGHLMIVGKKCAADLGLNKGYRMVVNEGSDGGQSVYHVHLHV
LGGRQMHWPPG
Ligand information
Ligand ID
AMP
InChI
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
UDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
Software
SMILES
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01
O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Formula
C10 H14 N5 O7 P
Name
ADENOSINE MONOPHOSPHATE
ChEMBL
CHEMBL752
DrugBank
DB00131
ZINC
ZINC000003860156
PDB chain
1kpf Chain A Residue 200 [
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Receptor-Ligand Complex Structure
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PDB
1kpf
Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Resolution
1.5 Å
Binding residue
(original residue number in PDB)
D43 I44 N99 S107 V108 H112 H114
Binding residue
(residue number reindexed from 1)
D28 I29 N84 S92 V93 H97 H99
Annotation score
5
Enzymatic activity
Enzyme Commision number
3.4.22.-
3.9.1.-
Gene Ontology
Molecular Function
GO:0000166
nucleotide binding
GO:0003824
catalytic activity
GO:0005080
protein kinase C binding
GO:0005515
protein binding
GO:0008234
cysteine-type peptidase activity
GO:0016787
hydrolase activity
GO:0016929
deSUMOylase activity
GO:0043530
adenosine 5'-monophosphoramidase activity
Biological Process
GO:0006355
regulation of DNA-templated transcription
GO:0006508
proteolysis
GO:0006915
apoptotic process
GO:0007165
signal transduction
GO:0009154
purine ribonucleotide catabolic process
GO:0016926
protein desumoylation
GO:0050850
positive regulation of calcium-mediated signaling
GO:0072332
intrinsic apoptotic signaling pathway by p53 class mediator
Cellular Component
GO:0000118
histone deacetylase complex
GO:0005634
nucleus
GO:0005654
nucleoplasm
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0005856
cytoskeleton
GO:0005886
plasma membrane
GO:0070062
extracellular exosome
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1kpf
,
PDBe:1kpf
,
PDBj:1kpf
PDBsum
1kpf
PubMed
9323207
UniProt
P49773
|HINT1_HUMAN Adenosine 5'-monophosphoramidase HINT1 (Gene Name=HINT1)
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