Structure of PDB 6x24 Chain B Binding Site BS01

Receptor Information
>6x24 Chain B (length=469) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKTIVWFRRDLRIEDNPALAAAAHEGSVFPVFIWCPEEEGQFYPGRASRW
WMKQSLAHLSQSLKALGSDLTLIKTHNTISAILDCIRVTGATKVVFNHLY
DPVSLVRDHTVKEKLVERGISVQSYNGDLLYEPWEIYCEKGKPFTSFNSY
WKKCLDMSIESVMLPPPWRLMPITAAAESIEELGLENEAEKPSNALLTRA
WSPGWSNADKLLNEFIEKQLIDYAKNSKKVVGNSTSLLSPYLHFGEISVR
HVFQCARMKQIIWARDKNSEGEESADLFLRGIGLREYSRYICFNFPFSHL
RFFPWDADVDKFKAWRQGRTGYPLVDAGMRELWATGWMHNRIRVIVSSFA
VKFLLLPWKWGMKYFWDTLLDADLECDILGWQYISGSIPDGHELDRLDNP
ALQGAKYDPEGEYIRQWLPELARLPTEWIHHPWDAPLTVLKASGVELGTN
YAKPIVDIDTARELLAKAI
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 chain6x24 Chain B Residue 501 [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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PDB6x24 Structural insights into photoactivation of plant Cryptochrome-2.
Resolution3.25 Å
Binding residue
(original residue number in PDB)		Y232 T244 S245 L246 L247 S248 L251 F287 G290 I291 L293 R294 W353 N356 R359 D387 D389 C392 D393 G396
Binding residue
(residue number reindexed from 1)		Y223 T235 S236 L237 L238 S239 L242 F278 G281 I282 L284 R285 W337 N340 R343 D371 D373 C376 D377 G380
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) G290 L293 W321 N356 W374 W397
Catalytic site (residue number reindexed from 1) G281 L284 W305 N340 W358 W381
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009882 blue light photoreceptor activity
Biological Process
GO:0009785 blue light signaling pathway

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6x24, PDBe:6x24, PDBj:6x24
PDBsum6x24
PubMed33398020
UniProtQ96524|CRY2_ARATH Cryptochrome-2 (Gene Name=CRY2)

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