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4E5D

2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005524molecular_functionATP binding
A0005777cellular_componentperoxisome
A0008218biological_processbioluminescence
A0046872molecular_functionmetal ion binding
A0047077molecular_functionPhotinus-luciferin 4-monooxygenase (ATP-hydrolyzing) activity
A0051087molecular_functionprotein-folding chaperone binding
Functional Information from PDB Data
site_idAC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 0NJ A 601
ChainResidue
AHIS245
AGLY341
ALEU342
ATHR343
ATHR346
ASER347
AALA348
AHOH709
AGLY246
APHE247
ATHR251
AALA313
ASER314
AGLY315
AARG337
AGLY339

Functional Information from PROSITE/UniProt
site_idPS00455
Number of Residues12
DetailsAMP_BINDING Putative AMP-binding domain signature. IMNSSGSTGlPK
ChainResidueDetails
AILE195-LYS206

Catalytic Information from CSA
site_idMCSA1
Number of Residues5
DetailsM-CSA 128
ChainResidueDetails
AARG218electrostatic stabiliser
AHIS245electrostatic stabiliser
ATHR343electrostatic stabiliser, hydrogen bond donor
ALYS443electrostatic stabiliser, hydrogen bond donor
ALYS529electrostatic stabiliser, hydrogen bond donor

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PDB entries from 2024-07-17

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