Structure of PDB 4maf Chain A Binding Site BS01

Receptor Information
>4maf Chain A (length=402) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLIEPDGGKLVELVVTDFERDLKKGEALSLPRIKLSRIDLEWVHVLSEGW
ATPLKGFMREAEFLQTLHFNSLRLDDGSVVNMSVPIVLAIDDAQKHRIGD
NKKVALFDSKGDPVAILNNIEIYKHPKEERIARTWGTIAPGLPYVEQTIT
NAGNWLIGGDLEVIEPIQYNDGLDHFRLSPTQLRAEFTRRNADAVFAFQL
RNPVHNGHALLMTDTRKRLLEMGYKNPVLLLHPLGGYTKADDVPLDWRMK
QHEKVLEDGVLDPETTVVSIFPSPMHYAGPTEVQWHAKARINAGANFYIV
GRDPAGMSHPVEKRDLYDADHGKKVLSMAPGLERLNILPFRVAAYDKTQG
KMAFFDPSRPQDFLFISGTKMRTLARNKESPPDGFMCPGGWKVLVDYYDS
LV
Ligand information
Ligand IDADX
InChIInChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyIRLPACMLTUPBCL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[S](O)(=O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[S](O)(=O)=O)[C@@H](O)[C@H]3O
ACDLabs 10.04O=S(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H14 N5 O10 P S
NameADENOSINE-5'-PHOSPHOSULFATE
ChEMBLCHEMBL572546
DrugBankDB03708
ZINCZINC000004228246
PDB chain4maf Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4maf Structure and mechanism of soybean ATP sulfurylase and the committed step in plant sulfur assimilation.
Resolution2.48 Å
Binding residue
(original residue number in PDB)		F245 Q246 L247 R248 N249 H255 G348 R349 P351 A352 A390
Binding residue
(residue number reindexed from 1)		F198 Q199 L200 R201 N202 H208 G301 R302 P304 A305 A343
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) L247 R248 H252 H255 R349
Catalytic site (residue number reindexed from 1) L200 R201 H205 H208 R302
Enzyme Commision number 2.7.7.4: sulfate adenylyltransferase.
Gene Ontology
Molecular Function
GO:0004781 sulfate adenylyltransferase (ATP) activity
Biological Process
GO:0000103 sulfate assimilation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4maf, PDBe:4maf, PDBj:4maf
PDBsum4maf
PubMed24584934
UniProtQ8SAG1

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