Structure of PDB 3iim Chain A Binding Site BS02

Receptor Information
>3iim Chain A (length=174) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFMLLPNILLTGTPGVGKTTLGKELASKSGLKYINVGDLAREEQLYDGYD
EEYDCPILDEDRVVDELDNQMREGGVIVDYHGCDFFPERWFHIVFVLRTD
TNVLYERLETRGYNEKKLTDNIQCEIFQVLYEEATASYKEEIVHQLPSNK
PEELENNVDQILKWIEQWIKDHNS
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain3iim Chain A Residue 178 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3iim hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y129 H142 Q143
Binding residue
(residue number reindexed from 1)		Y131 H144 Q145
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.4.3: adenylate kinase.
Gene Ontology
Molecular Function
GO:0004017 adenylate kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016887 ATP hydrolysis activity
GO:0050145 nucleoside monophosphate kinase activity
Biological Process
GO:0006364 rRNA processing
GO:0015949 nucleobase-containing small molecule interconversion
GO:0016310 phosphorylation
GO:0042254 ribosome biogenesis
GO:0042274 ribosomal small subunit biogenesis
GO:0046940 nucleoside monophosphate phosphorylation
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005813 centrosome
GO:0015030 Cajal body
GO:0016020 membrane
GO:0016607 nuclear speck

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3iim, PDBe:3iim, PDBj:3iim
PDBsum3iim
PubMed22038794
UniProtQ9Y3D8|KAD6_HUMAN Adenylate kinase isoenzyme 6 (Gene Name=AK6)

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