Structure of PDB 7ud0 Chain B Binding Site BS01

Receptor Information
>7ud0 Chain B (length=538) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATRGANVIWFRHGLRLHDNPALLAALADKDQGIALIPVFIFDGESAGTKN
VGYNRMRFLLDSLQDIDDQLQAATDGRGRLLVFEGEPAYIFRRLHEQVRL
HRICIEQDCEPIWNERDESIRSLCRELNIDFVEKVSHTLWDPQLVIETNG
GIPPLTYQMFLHTVQIIGLPPRPTADARLEDATFVELDPEFCRSLKLFEQ
LPTPEHFNVYGDNMGFLAKINWRGGETQALLLLDERLKVEQHAFERGFYL
PNQALPNIHDSPKSMSAHLRFGCLSVRRFYWSVHDLFKNVQLRACVRGVQ
MTGGAHITGQLIWREYFYTMSVNNPNYDRMEGNDICLSIPWAKPNENLLQ
SWRLGQTGFPLIDGAMRQLLAEGWLHHTLRNTVATFLTRGGLWQSWEHGL
QHFLKYLLDADWSVCAGNWMWVSSSAFERLLDSSLVTCPVALAKRLDPDG
TYIKQYVPELMNVPKEFVHEPWRMSAEQQEQYECLIGVHYPERIIDLSMA
VKRNMLAMKSLRNSLITPPPHCRPSNEEEVRQFFWLAD
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 chain7ud0 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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PDB7ud0 Room-temperature serial synchrotron crystallography of Drosophila cryptochrome.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		S265 S267 Q311 W314 R315 F318 H378 R381 D410 A411 D412 V415 C416 N419
Binding residue
(residue number reindexed from 1)		S264 S266 Q310 W313 R314 F317 H377 R380 D409 A410 D411 V414 C415 N418
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003913 DNA photolyase activity
GO:0005515 protein binding
GO:0009881 photoreceptor activity
GO:0009882 blue light photoreceptor activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:0007602 phototransduction
GO:0007623 circadian rhythm
GO:0009416 response to light stimulus
GO:0009588 UV-A, blue light phototransduction
GO:0009637 response to blue light
GO:0009649 entrainment of circadian clock
GO:0009785 blue light signaling pathway
GO:0032922 circadian regulation of gene expression
GO:0042332 gravitaxis
GO:0042752 regulation of circadian rhythm
GO:0043153 entrainment of circadian clock by photoperiod
GO:0045187 regulation of circadian sleep/wake cycle, sleep
GO:0045475 locomotor rhythm
GO:0045892 negative regulation of DNA-templated transcription
GO:0048511 rhythmic process
GO:0048512 circadian behavior
GO:0050958 magnetoreception
GO:0050980 detection of light stimulus involved in magnetoreception
GO:0071000 response to magnetism
GO:0071482 cellular response to light stimulus
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0048471 perinuclear region of cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ud0, PDBe:7ud0, PDBj:7ud0
PDBsum7ud0
PubMed35916222
UniProtO77059|CRY1_DROME Cryptochrome-1 (Gene Name=cry)

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