Structure of PDB 8t8a Chain A Binding Site BS01

Receptor Information
>8t8a Chain A (length=583) Species: 306 (Pseudomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPLDVAIIGGGVSGTYSAWRLQEAQGDHQRIQLFEYSDRIGGRLFSINLP
GLPNVVAEVGGMRWMPATKDNTGGHVMVDKLVGELKLESKNFPMGSNLPD
KDPVGAKDNLFYLRGERFRLRDFTEAPDKIPYKLAWSERGYGPEDLQVKV
MHNIYPGFDKLSLAEQMQVKVFGKEIWRYGFWDLLYRVLSNEGYQFMKDA
GGYEANVANASAVTQLPATEYSDKTVFLTLKKGFQALPLTLAKRFAEVPG
GLIAGEQRIRMNRRLASVQFSDDTEYPYRLHFQATRTVDGKTSDVPGAEE
IIHARQVILALPRRSLELIQSPLFDDPWLKENIDSVLVQSAFKLFLAYEQ
PWWRSQGLVAGRSVTDLPIRQCYYMGTECEQDGGEKTLNSLLMASYNDIG
TVPFWKGLEDGAPFEGYQPKSLQGRIDANEVVPKMQYQISEEMVRIAQRQ
VTSLHDQIELPAPYSAVYHAWDADPFGGGWHEWKANYRLDLIIQRMRHPV
QEQEVYIVGEAYSYGQGWVEGALTTAESTLQDFFGLPRPAWLPEAYQLLP
APAPVDIDNPPALACTDCKKTLTEVTEFAYTGI
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 chain8t8a Chain A Residue 601 [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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PDB8t8a Structural basis of arginine oxidase from Pseudomonas sp. TRU 7192
Resolution3.4 Å
Binding residue
(original residue number in PDB)		I19 G20 G22 V23 S24 E46 Y47 R54 L55 G71 G72 M73 R74 L276 L322 P323 S326 P486 F487 G490 G520 E521 G528 W529 V530
Binding residue
(residue number reindexed from 1)		I8 G9 G11 V12 S13 E35 Y36 R43 L44 G60 G61 M62 R63 L265 L311 P312 S315 P475 F476 G479 G509 E510 G517 W518 V519
Annotation score1
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0009851 auxin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8t8a, PDBe:8t8a, PDBj:8t8a
PDBsum8t8a
PubMed
UniProtA0A177SH44

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