Structure of PDB 5rhn Chain A Binding Site BS01

Receptor Information
>5rhn Chain A (length=115) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPGGDTIFGKIIRKEIPAKIIFEDDQCLAFHDISPQAPTHFLVIPKKHIS
QISAAEDADESLLGHLMIVGKKCAADLGLKKGYRMVVNEGSDGGQSVYHV
HLHVLGGRQMNWPPG
Ligand information
Ligand ID8BR
InChIInChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
InChIKeyDNPIJKNXFSPNNY-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)COP(=O)(O)O)O)O)N
ACDLabs 10.04Brc2nc1c(ncnc1n2C3OC(C(O)C3O)COP(=O)(O)O)N
CACTVS 3.341Nc1ncnc2n([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c(Br)nc12
CACTVS 3.341Nc1ncnc2n([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c(Br)nc12
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
FormulaC10 H13 Br N5 O7 P
Name8-BROMO-ADENOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL1230617
DrugBankDB03349
ZINCZINC000013527361
PDB chain5rhn 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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PDB5rhn Crystal structures of HINT demonstrate that histidine triad proteins are GalT-related nucleotide-binding proteins.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		D43 I44 S45 N99 G105 Q106 S107 V108 H112 H114
Binding residue
(residue number reindexed from 1)		D32 I33 S34 N88 G94 Q95 S96 V97 H101 H103
Annotation score3
Enzymatic activity
Enzyme Commision number 3.4.22.-
3.9.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
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:0009154 purine ribonucleotide catabolic process
GO:0016926 protein desumoylation
GO:0072332 intrinsic apoptotic signaling pathway by p53 class mediator
Cellular Component
GO:0000118 histone deacetylase complex
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5rhn, PDBe:5rhn, PDBj:5rhn
PDBsum5rhn
PubMed9164465
UniProtP80912|HINT1_RABIT Adenosine 5'-monophosphoramidase HINT1 (Gene Name=HINT1)

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