Structure of PDB 6xbb Chain D Binding Site BS02

Receptor Information
>6xbb Chain D (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 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 D 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 Q61 R103 G195 S196 G197 Q198 S199 R223 S224 K264 F267 K268 L301 A334 T335
Binding residue
(residue number reindexed from 1)		H51 Q53 R95 G187 S188 G189 Q190 S191 R215 S216 K256 F259 K260 L293 A326 T327
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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