Structure of PDB 1ba3 Chain A Binding Site BS01

Receptor Information
>1ba3 Chain A (length=540) Species: 7054 (Photinus pyralis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAKNIKKGPAPFYPLEDGTAGEQLHKAMKRYALVPGTIAFTDAHIEVNIT
YAEYFEMSVRLAEAMKRYGLNTNHRIVVCSENSLQFFMPVLGALFIGVAV
APANDIYNERELLNSMNISQPTVVFVSKKGLQKILNVQKKLPIIQKIIIM
DSKTDYQGFQSMYTFVTSHLPPGFNEYDFVPESFDRDKTIALIMNSSTGL
PKGVALPHRTACVRFSHARDPIFGNQIIPDTAILSVVPFHHGFGMFTTLG
YLICGFRVVLMYRFEEELFLRSLQDYKIQSALLVPTLFSFFAKSTLIDKY
DLSNLHEIASGGAPLSKEVGEAVAKRFHLPGIRQGYGLTETTSAILITPE
GDDKPGAVGKVVPFFEAKVVDLDTGKTLGVNQRGELCVRGPMIMSGYVNN
PEATNALIDKDGWLHSGDIAYWDEDEHFFIVDRLKSLIKYKGYQVAPAEL
ESILLQHPNIFDAGVAGLPDDDAGELPAAVVVLEHGKTMTEKEIVDYVAS
QVTTAKKLRGGVVFVDEVPKGLTGKLDARKIREILIKAKK
Ligand information
Ligand IDMBR
InChIInChI=1S/CHBr3/c2-1(3)4/h1H
InChIKeyDIKBFYAXUHHXCS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(Br)(Br)Br
ACDLabs 10.04
CACTVS 3.341		BrC(Br)Br
FormulaC H Br3
NameTRIBROMOMETHANE
ChEMBLCHEMBL345248
DrugBankDB03054
ZINCZINC000008101061
PDB chain1ba3 Chain A Residue 990 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ba3 Structural basis for the inhibition of firefly luciferase by a general anesthetic.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E311 R337 T352 E354
Binding residue
(residue number reindexed from 1)		E307 R333 T348 E350
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S198 R218 H245 T343 E344 K443 Q448 K529
Catalytic site (residue number reindexed from 1) S196 R214 H241 T339 E340 K439 Q444 K525
Enzyme Commision number 1.13.12.7: firefly luciferase.
Gene Ontology
Molecular Function
GO:0004467 long-chain fatty acid-CoA ligase activity
GO:0004497 monooxygenase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
GO:0047077 Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing) activity
GO:0051087 protein-folding chaperone binding
Biological Process
GO:0001676 long-chain fatty acid metabolic process
GO:0008218 bioluminescence
GO:0046949 fatty-acyl-CoA biosynthetic process
Cellular Component
GO:0005777 peroxisome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ba3, PDBe:1ba3, PDBj:1ba3
PDBsum1ba3
PubMed9788915
UniProtP08659|LUCI_PHOPY Luciferin 4-monooxygenase

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