Structure of PDB 6xbc Chain B Binding Site BS01

Receptor Information
>6xbc Chain B (length=416) Species: 463191 (Streptomyces sviceus ATCC 29083) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVHDFVGIGLGPFNLGLACLTEPIDELDGIFLESKPDFEWHAGMFLDGAH
LQTPFMSDLVTLADPTSPYSFLNYLKEKGRLYSFYIRENFYPLRVEYDDY
CRWAANKLSSIRFGTTVTEVRYEDDLYVVTTSAGDVYRARHLVLGTGTPP
YIPEACQGLDGDFIHNSRYVQHRSELVKKESITIVGSGQSAAEIYQDLLG
EIDVHGYRLNWVTRSPRFFPLEYTKLTLEMTSPEYIDYYRELPEATRYRL
TAEQKGLFKGIDGDLINEIFDLLYQKNLAGPVPTRLLTNSSLNSARHENG
TYTLAFRQEEQGKDFEIESQGLVLATGYKYAEPEFLAPVKDRLVYDSQGN
FDVSRAYAIDVTGRGVFLQNAGVHTHSITSPDLGMGAYRNSCIIRELLGT
EYYPVEKTIAFQEFSV
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 chain6xbc Chain B 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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PDB6xbc Characterization of a broadly specific cadaverine N-hydroxylase involved in desferrioxamine B biosynthesis in Streptomyces sviceus.
Resolution2.863 Å
Binding residue
(original residue number in PDB)		G18 G20 P21 F22 L41 E42 S43 K44 W49 H50 L60 Q61 T62 T125 V126 G154 T155 G156 Y337 N379 P390 D391 L392
Binding residue
(residue number reindexed from 1)		G9 G11 P12 F13 L32 E33 S34 K35 W40 H41 L51 Q52 T53 T116 V117 G145 T146 G147 Y328 N370 P381 D382 L383
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:6xbc, PDBe:6xbc, PDBj:6xbc
PDBsum6xbc
PubMed33784308
UniProtB5HNG5

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