Structure of PDB 1jhd Chain A Binding Site BS03

Receptor Information

>1jhd Chain A (length=396) Species: 35843 (sulfur-oxidizing endosymbiont of Riftia pachyptila)

MIKPVGSDELKPLFVYDPEEHHKLSHEAESLPSVVISSQAAGNAVMMGAG
YFSPLQGFMNVADAMGAAEKMTLSDGSFFPVPVLCLLENTDAIGDAKRIA
LRDPNVEGNPVLAVMDIEAIEEVSDEQMAVMTDKVYRTTDMDHIGVKTFN
SQGRVAVSGPIQVLNFSYFQADFPDTFRTAVEIRNEIKEHGWSKVVAFQT
RNPMHRAHEELCRMAMESLDADGVVVHMLLGKLKKGDIPAPVRDAAIRTM
AEVYFPPNTVMVTGYGFDMLYAGPREAVLHAYFRQNMGATHFIIGRDHAG
VGDYYGAFDAQTIFDDEVPEGAMEIEIFRADHTAYSKKLNKIVMMRDVPD
HTKEDFVLLSGTKVREMLGQGIAPPPEFSRPEVAKILMDYYQSINS

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  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
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 1jhd Chain A Residue 1003

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1jhd Crystal structure of ATP sulfurylase from the bacterial symbiont of the hydrothermal vent tubeworm Riftia pachyptila.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): A207 H208 H332 T333
• Binding residue (residue number reindexed from 1): A207 H208 H332 T333
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): T200 R201 H205 H208 R296
• Catalytic site (residue number reindexed from 1): T200 R201 H205 H208 R296
• 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

External links

• PDB: RCSB:1jhd, PDBe:1jhd, PDBj:1jhd
• PDBsum: 1jhd
• PubMed: 11724564
• UniProt: Q54506|SAT_RIFPS Sulfate adenylyltransferase (Gene Name=sat)