Structure of PDB 4jzy Chain A Binding Site BS01

Receptor Information
>4jzy Chain A (length=534) 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
PNQALPNIHDSPKSMSAHLRFGCLSVRRFYWSVHDLFKNVQLGVQMTGGA
HITGQLIWREYFYTMSVNNPNYDRMEGNDICLSIPWAKPNENLLQSWRLG
QTGFPLIDGAMRQLLAEGWLHHTLRNTVATFLTRGGLWQSWEHGLQHFLK
YLLDADWSVCAGNWMWVSSSAFERLLDSSLVTCPVALAKRLDPDGTYIKQ
YVPELMNVPKEFVHEPWRMSAEQQEQYECLIGVHYPERIIDLSMAVKRNM
LAMKSLRNSLITPPPHCRPSNEEEVRQFFWLADV
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 chain4jzy 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4jzy Structures of Drosophila cryptochrome and mouse cryptochrome1 provide insight into circadian function.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		S265 S267 Q311 W314 R315 F318 H378 R381 F404 D410 A411 D412 V415 C416 N419 W420
Binding residue
(residue number reindexed from 1)		S264 S266 Q305 W308 R309 F312 H372 R375 F398 D404 A405 D406 V409 C410 N413 W414
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q311 W314 W342 H378 W397 W420
Catalytic site (residue number reindexed from 1) Q305 W308 W336 H372 W391 W414
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4jzy, PDBe:4jzy, PDBj:4jzy
PDBsum4jzy
PubMed23746849
UniProtO77059|CRY1_DROME Cryptochrome-1 (Gene Name=cry)

[Back to BioLiP]