Structure of PDB 6icq Chain A

Receptor sequence
>6icqA (length=334) Species: 303 (Pseudomonas putida) [Search protein sequence]
NDEREYLRHFWHPVCTVTELEKAHPSSLGPLAVKLLNEQLVVAKLGDEYV
AMRDRCAHRSAKLSLGTVSGNRLQCPYHGWQYDTHGACQLVPACPNSPIP
NKAKVDRFDCEERYGLIWIRLDSSFDCTEIPYFSAANDPRLRIVIQEPYW
WDATAERRWENFTDFSHFAFIHPGTLFDPNNAEPPIVPMDRFNGQFRFVY
DAPIGSFSYTCSMPFAINLEVSKYSSSSLHVLFNVSCPVDSHTTKNFLIF
AREQSDDSDYLHIAFQDLVLAEDKPVIESQWPKDAPADEVSVVADKVSIQ
YRKWLRELKEAHKEGSQAFRSALLDPVIESDRSY
3D structure
PDB6icq Structural and Mechanistic Insights into Caffeine Degradation by the Bacterial N-Demethylase Complex.
ChainA
Resolution1.9 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.14.13.178: methylxanthine N(1)-demethylase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 FES A C62 H64 R65 C81 Y83 H84 W86 C56 H58 R59 C75 Y77 H78 W80
BS02 FE A N167 H173 H178 D289 N161 H167 H172 D273
BS03 37T A L248 Q282 L232 Q266
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0032451 demethylase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0009820 alkaloid metabolic process
GO:0009822 alkaloid catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:6icq, PDBe:6icq, PDBj:6icq
PDBsum6icq
PubMed31412262
UniProtH9N289|NDMA_PSEPU Methylxanthine N1-demethylase NdmA (Gene Name=ndmA)

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