Structure of PDB 5d3u Chain B

Receptor sequence
>5d3uB (length=403) Species: 680198 (Streptomyces scabiei 87.22) [Search protein sequence]
PSPLADPSIVPDPYPVYADLAQRRPVHWVERLNAWAVLTYADCAAGLKDP
RLTADRGTEVLAAKFPGQPLPPDNIFHRWTKNVVMYTDPPLHDALRRSVR
AGFTRAAHQHYDQVLQKVAHDLVASIPAGATEIDAVPALAAELPVRSAVH
AFGVPEEDLGFLIPRVNTIMTYFSGPKDQPVTQEIILEKLTDLHTYASEL
LQGMRGKVLPDTVIARLAAAQDGLTETTPEQTVHQLALVFIALFAPTTPG
SLSSGTLAFARNPRQVERFLADQACVDNTANEVLRYNASNQFTWRVAAKD
VEMGGVRIEAGQTLALFLGSANRDANMFERPNDFDLDRPNSARHLSFGQG
VHACLAAQLISLQLKWFYVALLNRFPGIRTAGEPIWNENLEFRSLRSLPL
SLR
3D structure
PDB5d3u Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.
ChainB
Resolution1.45 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) L246 P249 T250 T251 C357 Q366 F395
Catalytic site (residue number reindexed from 1) L243 P246 T247 T248 C354 Q363 F392
Enzyme Commision number ?
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 HEM B V87 M88 H95 R99 F155 A245 T250 T251 T296 R298 S349 F350 H355 C357 L358 A359 I363 V84 M85 H92 R96 F152 A242 T247 T248 T293 R295 S346 F347 H352 C354 L355 A356 I360
BS02 TRP B R59 M88 Y89 M173 N293 T296 W297 F395 R56 M85 Y86 M170 N290 T293 W294 F392 MOAD: Kd=2.6uM
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5d3u, PDBe:5d3u, PDBj:5d3u
PDBsum5d3u
PubMed27102675
UniProtC9ZDC6

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