Structure of PDB 6xbb Chain A Binding Site BS02

Receptor Information
>6xbb Chain A (length=418) Species: 463191 (Streptomyces sviceus ATCC 29083) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSTVHDFVGIGLGPFNLGLACLTEPIDELDGIFLESKPDFEWHAGMFLDG
AHLQTPFMSDLVTLADPTSPYSFLNYLKEKGRLYSFYIRENFYPLRVEYD
DYCRWAANKLSSIRFGTTVTEVRYEDDLYVVTTSAGDVYRARHLVLGTGT
PPYIPEACQGLDGDFIHNSRYVQHRSELVKKESITIVGSGQSAAEIYQDL
LGEIDVHGYRLNWVTRSPRFFPLEYTKLTLEMTSPEYIDYYRELPEATRY
RLTAEQKGLFKGIDGDLINEIFDLLYQKNLAGPVPTRLLTNSSLNSARHE
NGTYTLAFRQEEQGKDFEIESQGLVLATGYKYAEPEFLAPVKDRLVYDSQ
GNFDVSRAYAIDVTGRGVFLQNAGVHTHSITSPDLGMGAYRNSCIIRELL
GTEYYPVEKTIAFQEFSV
Ligand information
Ligand IDNAP
InChIInChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyXJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
FormulaC21 H28 N7 O17 P3
NameNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
ChEMBLCHEMBL295069
DrugBankDB03461
ZINC
PDB chain6xbb Chain A Residue 502 [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)		H59 L60 Q61 R103 P162 G195 S196 G197 Q198 S199 R223 S224 K264 F267 K268 A334 T335
Binding residue
(residue number reindexed from 1)		H52 L53 Q54 R96 P155 G188 S189 G190 Q191 S192 R216 S217 K257 F260 K261 A327 T328
Annotation score4
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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