Structure of PDB 1j70 Chain B Binding Site BS01

Receptor Information
>1j70 Chain B (length=512) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMPAPHGGILQDLIARDALKKNELLSEAQSSDILVWNLTPRQLCDIELIL
NGGFSPLTGFLNENDYSSVVTDSRLADGTLWTIPITLDVDEAFANQIKPD
TRIALFQDDEIPIAILTVQDVYKPNKTIEAEKVFRGDPEHPAISYLFNVA
GDYYVGGSLEAIQLPQHYDYPGLRKTPAQLRLEFQSRQWDRVVAFQTRNP
MHRAHRELTVRAAREANAKVLIHPVVGLTKPGDIDHHTRVRVYQEIIKRY
PNGIAFLSLLPLAMRMSGDREAVWHAIIRKNYGASHFIVGRDHAGPGKNS
KGVDFYGPYDAQELVESYKHELDIEVVPFRMVTYLPDEDRYAPIDQIDTT
KTRTLNISGTELRRRLRVGGEIPEWFSYPEVVKILRESNPPRPKQGFSIV
LGNSLTVSREQLSIALLSTFLQFGGGRYYKIFEHNNKTELLSLIQDFIGS
GSGLIIPNQWEDDKDSVVGKQNVYLLDTSSSADIQLESADEPISHIVQKV
VLFLEDNGFFVF
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1j70 Chain B Residue 2444 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1j70 Structural and functional analysis of a truncated form of Saccharomyces cerevisiae ATP sulfurylase: C-terminal domain essential for oligomer formation but not for activity.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Q195 R197 H292 A293
Binding residue
(residue number reindexed from 1)		Q196 R198 H293 A294
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T196 R197 H201 H204 R290
Catalytic site (residue number reindexed from 1) T197 R198 H202 H205 R291
Enzyme Commision number 2.7.7.4: sulfate adenylyltransferase.
Gene Ontology
Molecular Function
GO:0004781 sulfate adenylyltransferase (ATP) activity
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
Biological Process
GO:0000096 sulfur amino acid metabolic process
GO:0000103 sulfate assimilation
GO:0006790 sulfur compound metabolic process
GO:0010134 sulfate assimilation via adenylyl sulfate reduction
GO:0019379 sulfate assimilation, phosphoadenylyl sulfate reduction by phosphoadenylyl-sulfate reductase (thioredoxin)
GO:0070814 hydrogen sulfide biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1j70, PDBe:1j70, PDBj:1j70
PDBsum1j70
PubMed14983089
UniProtP08536|MET3_YEAST Sulfate adenylyltransferase (Gene Name=MET3)

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