Structure of PDB 6c80 Chain B Binding Site BS01

Receptor Information
>6c80 Chain B (length=486) Species: 4006 (Linum usitatissimum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLDLQGSIDYSTLAAGKDFGGVYSSNPLALIRPSGADDVARVLKSACRSS
NLTVAARGNGHSINGQAMADGGIVLDMRSTEGNHFKILRGDHYADVSGGA
LWEDILMRCVSEYGLAPRSWTDYLRLTVGGTLSNAGVSGQAFRYGPQSSN
VTELDVVTGKGDFLTCSPTQNSDLFFGALGGLGQFGVITRARIPLEPAPD
MVRWIRMVYAEFEDFSRDAEWLVTQPEKESFDYVEGFAFVNSDSPADGWP
SVPLNHMMTTPIHSGHQLLYCLELALHFNHSNSSSTVDSVVKRLIGGLRY
MKGFKYEVDLSYVEFVMRVKRVEEDARAHGMWDAPHPWLNLFVSKADIAE
FDRLIFKGLLHDGVGGPMLVYPLLRSKWDSRSSVVLPEGEDEIFYIVALL
RSNPPYPKGPSVDKLVSQNDKIIQSCIQHGLGFKLYLPHYQSQHDWRRHF
GDQWSKFVQLKLAFDPMAVLAPGQKIFTRRTKKDPA
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 chain6c80 Chain B 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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PDB6c80 Structural and functional insights into the modulation of the activity of a flax cytokinin oxidase by flax rust effector AvrL567-A.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		F62 A99 G101 N102 G103 H104 S105 Q109 A110 T167 D168 Y169 L172 T173 G175 G176 S179 N180 G182 V183 V233 I234 W384 Y482
Binding residue
(residue number reindexed from 1)		F19 A56 G58 N59 G60 H61 S62 Q66 A67 T121 D122 Y123 L126 T127 G129 G130 S133 N134 G136 V137 V187 I188 W338 Y436
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H104 D168 E281
Catalytic site (residue number reindexed from 1) H61 D122 E235
Enzyme Commision number 1.5.99.12: cytokinin dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0019139 cytokinin dehydrogenase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:0009690 cytokinin metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6c80, PDBe:6c80, PDBj:6c80
PDBsum6c80
PubMed30242946
UniProtA0A0U1ZL01

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