Structure of PDB 6xbb Chain E Binding Site BS01

Receptor Information
>6xbb Chain E (length=417) Species: 463191 (Streptomyces sviceus ATCC 29083) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVHDFVGIGLGPFNLGLACLTEPIDELDGIFLESKPDFEWHAGMFLDGA
HLQTPFMSDLVTLADPTSPYSFLNYLKEKGRLYSFYIRENFYPLRVEYDD
YCRWAANKLSSIRFGTTVTEVRYEDDLYVVTTSAGDVYRARHLVLGTGTP
PYIPEACQGLDGDFIHNSRYVQHRSELVKKESITIVGSGQSAAEIYQDLL
GEIDVHGYRLNWVTRSPRFFPLEYTKLTLEMTSPEYIDYYRELPEATRYR
LTAEQKGLFKGIDGDLINEIFDLLYQKNLAGPVPTRLLTNSSLNSARHEN
GTYTLAFRQEEQGKDFEIESQGLVLATGYKYAEPEFLAPVKDRLVYDSQG
NFDVSRAYAIDVTGRGVFLQNAGVHTHSITSPDLGMGAYRNSCIIRELLG
TEYYPVEKTIAFQEFSV
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain6xbb Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6xbb Characterization of a broadly specific cadaverine N-hydroxylase involved in desferrioxamine B biosynthesis in Streptomyces sviceus.
Resolution2.366 Å
Binding residue
(original residue number in PDB)		G18 G20 P21 F22 E42 S43 K44 W49 H50 L60 T62 V126 T155 G156 Y337 N379 P390 D391 L392
Binding residue
(residue number reindexed from 1)		G10 G12 P13 F14 E34 S35 K36 W41 H42 L52 T54 V118 T147 G148 Y329 N371 P382 D383 L384
Annotation score2
Enzymatic activity
Enzyme Commision number 1.14.13.59: L-lysine N(6)-monooxygenase (NADPH).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0047091 L-lysine 6-monooxygenase (NADPH) activity
Biological Process
GO:0009058 biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6xbb, PDBe:6xbb, PDBj:6xbb
PDBsum6xbb
PubMed33784308
UniProtB5HNG5

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