Structure of PDB 8p4x Chain A Binding Site BS01

Receptor Information
>8p4x Chain A (length=526) Species: 6359 (Platynereis dumerilii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EHVSLHWFRHGLRLHDNPALLKSLEGAKEFYALFIWDGEVAGTKLVSYPR
MKFLLECLKDLDDSLKKHGGRLYVVKGPSDVVIKQLIEEWGVTRVTCEID
PEPIWQPRDKAVKDLCATKGVKWFDYNSHLLWDPKAVCDANGGRPPHTYK
LFCQVTDLLGKPETPHPDPDFSHVQMPVSDDFDDKFGLPTLKELGCEPEC
EEQEKPFNKWQGGETGALELLETRLMIERTAYKAGYIMPNQYIPDLVGPP
RSMSPHLRFGALSIRKFYWDLHNNYAEVCGGEWLGALTAQLVWREYFYCM
SYGNPSFDKMEGNPICLQIPWYKDEEALEKWKQGQTGFPWIDACMRQLRY
EGWMHHVGRHAVACFLTRGDLWISWVDGLEAFYKYMLDGDWSVCAGNWMW
VSSSAFENCLQCPQCFSPVLYGMRMDPTGEFTRRYVPQLKNMPLKYLFQP
WKAPKEVQEKAGCVIGEDYPSPMVDHKEASSKCRRMMEDVKSIIKDPEVW
HCTPSDTNEVRKFCWLPEHMTADQPC
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 chain8p4x 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]
PDB8p4x A marine cryptochrome with an inverse photo-oligomerization mechanism
Resolution2.57 Å
Binding residue
(original residue number in PDB)		Q320 H386 R389 D418 D420 N427
Binding residue
(residue number reindexed from 1)		Q290 H356 R359 D388 D390 N397
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0071949 FAD binding
Biological Process
GO:0032922 circadian regulation of gene expression
GO:0043153 entrainment of circadian clock by photoperiod
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
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:8p4x, PDBe:8p4x, PDBj:8p4x
PDBsum8p4x
PubMed37903809
UniProtG8Z9G7

[Back to BioLiP]