Structure of PDB 3iik Chain A Binding Site BS01

Receptor Information
>3iik Chain A (length=175) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEFMLLPNILLTGTPGVGKTTLGKELASKSGLKYINVGDLAREEQLYDGY
DEEYDCPILDEDRVVDELDNQMREGGVIVDYHGCDFFPERWFHIVFVLRT
DTNVLYERLETRGYNEKKLTDNIQCEIFQVLYEEATASYKEEIVHQLPSN
KPEELENNVDQILKWIEQWIKDHNS
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 chain3iik Chain A Residue 173 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3iik hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		P12 G13 V14 G15 K16 T17 R109
Binding residue
(residue number reindexed from 1)		P15 G16 V17 G18 K19 T20 R112
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:3iik, PDBe:3iik, PDBj:3iik
PDBsum3iik
PubMed22038794
UniProtQ9Y3D8|KAD6_HUMAN Adenylate kinase isoenzyme 6 (Gene Name=AK6)

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