Structure of PDB 1m7h Chain A Binding Site BS01

Receptor Information
>1m7h Chain A (length=203) Species: 5076 (Penicillium chrysogenum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FHASALTRSERTELRNQRGLTIWLTGLSASGKSTLAVELEHQLVRDRRVH
AYRLDGDNIRFGLNKDLGFSEADRNENIRRIAEVAKLFADSNSIAITSFI
SPYRKDRDTARQLHEVATPGEETGLPFVEVYVDVPVEVAEQRDPKGLYKK
AREGVIKEFTGISAPYEAPANPEVHVKNYELPVQDAVKQIIDYLDTKGYL
PAK
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 chain1m7h Chain A Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1m7h Ligand-Induced Structural Changes in Adenosine 5'-Phosphosulfate Kinase from Penicillium chrysogenum.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R110 P175 A176
Binding residue
(residue number reindexed from 1)		R104 P169 A170
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.25: adenylyl-sulfate kinase.
Gene Ontology
Molecular Function
GO:0004020 adenylylsulfate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0000103 sulfate assimilation
GO:0009086 methionine biosynthetic process
GO:0016310 phosphorylation
GO:0019344 cysteine biosynthetic process
GO:0070814 hydrogen sulfide biosynthetic process
Cellular Component
GO:0005829 cytosol

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Biological Process
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Cellular Component
External links
PDB RCSB:1m7h, PDBe:1m7h, PDBj:1m7h
PDBsum1m7h
PubMed12427029
UniProtQ12657|KAPS_PENCH Adenylyl-sulfate kinase

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