Structure of PDB 6pu0 Chain A Binding Site BS01

Receptor Information
>6pu0 Chain A (length=480) Species: 8932 (Columba livia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPHRTIHLFRKGLRLHDNPTLLAALESSETIYPVYVLDRRFLASAMHIGA
LRWHFLLQSLEDLHKNLSRLGARLLVIQGEYESVLRDHVQKWNITQVTLD
AEMEPFYKEMEANIRRLGAELGFEVLSRVGHSLYDTKRILDLNGGSPPLT
YKRFLHILSQLGDPEVPVRNLTAEDFQRCMSPEPGLAERYRVPVPADLEI
PPQSLSPWTGGETEGLRRLEQHLTDQGSTTGLSPYFSMGCLSVRTFFQRL
SNIYAQAKHHSLPPVSLQGQLLWREFFYTVASATQNFTQMAGNPICLQIH
WYEDAERLHKWKTAQTGFPWIDAIMTQLRQEGWIHHLARHAVACFLTRGD
LWISWEEGMKVFEELLLDADYSINAGNWMWLSASAFFHHYTRIFCPVRFG
KRTDPEGQYIRKYLPVLKNFPTKYIYEPWTASEEEQRQAGCIIGRDYPFP
MVNHKEASDRNLQLMRRVREEQRGTAQLTR
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 chain6pu0 Chain A 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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PDB6pu0 Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Resolution1.8979 Å
Binding residue
(original residue number in PDB)		T246 T247 G248 S250 Q287 R291 W350 H353 R356 F379 D385 A386 D387 I390 N391 N394
Binding residue
(residue number reindexed from 1)		T229 T230 G231 S233 Q270 R274 W333 H336 R339 F362 D368 A369 D370 I373 N374 N377
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q287 W290 W318 H353 W372 W395
Catalytic site (residue number reindexed from 1) Q270 W273 W301 H336 W355 W378
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003904 deoxyribodipyrimidine photo-lyase activity
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6pu0, PDBe:6pu0, PDBj:6pu0
PDBsum6pu0
PubMed31484780
UniProtA0A2I0LZR8

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