Structure of PDB 6xbc Chain F Binding Site BS01
Receptor Information
>6xbc Chain F (length=415) Species:
463191
(Streptomyces sviceus ATCC 29083) [
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VHDFVGIGLGPFNLGLACLTEPIDELDGIFLESKPDFEWHAGMFLDGAHL
QTPFMSDLVTLADPTSPYSFLNYLKEKGRLYSFYIRENFYPLRVEYDDYC
RWAANKLSSIRFGTTVTEVRYEDDLYVVTTSAGDVYRARHLVLGTGTPPY
IPEACQGLDGDFIHNSRYVQHRSELVKKESITIVGSGQSAAEIYQDLLGE
IDVHGYRLNWVTRSPRFFPLEYTKLTLEMTSPEYIDYYRELPEATRYRLT
AEQKGLFKGIDGDLINEIFDLLYQKNLAGPVPTRLLTNSSLNSARHENGT
YTLAFRQEEQGKDFEIESQGLVLATGYKYAEPEFLAPVKDRLVYDSQGNF
DVSRAYAIDVTGRGVFLQNAGVHTHSITSPDLGMGAYRNSCIIRELLGTE
YYPVEKTIAFQEFSV
Ligand information
Ligand ID
FAD
InChI
InChI=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
InChIKey
VWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
Software
SMILES
CACTVS 3.341
Cc1cc2N=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 1.5.0
Cc1cc2c(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 1.5.0
Cc1cc2c(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 3.341
Cc1cc2N=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 10.04
O=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
Formula
C27 H33 N9 O15 P2
Name
FLAVIN-ADENINE DINUCLEOTIDE
ChEMBL
CHEMBL1232653
DrugBank
DB03147
ZINC
ZINC000008215434
PDB chain
6xbc Chain F Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
6xbc
Characterization of a broadly specific cadaverine N-hydroxylase involved in desferrioxamine B biosynthesis in Streptomyces sviceus.
Resolution
2.863 Å
Binding residue
(original residue number in PDB)
G18 G20 P21 F22 E42 S43 K44 W49 H50 Q61 V126 T155 Y337 N379 P390 D391 L392
Binding residue
(residue number reindexed from 1)
G8 G10 P11 F12 E32 S33 K34 W39 H40 Q51 V116 T145 Y327 N369 P380 D381 L382
Annotation score
2
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
PDBsum
6xbc
PubMed
33784308
UniProt
B5HNG5
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