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Receptor Information

>5yly Chain A (length=262) Species: 3117 (Ulva prolifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

APFLNPKKQKAAELKEKIKISHDVTLFRFGLEHDEQLLGLPTGKHMLIRK
KVTEVVMRAYTPTTANETRGHFDLVVKIYKANVHPKFPEGGKFSQILEAL
EVGDTVEVKGPIGHFHYDRPGHYKNHKLESEVKRINMIAGGTGLTPMYQV
MKAILSNPSDLTEIRLLYANQTEADILLRPELEALAKSHPDRVKIHYTVD
RPTPGWKYSSGFIDLDMCERALFRYEPGTISVLCGPPPMLKFACHPNLEK
MGFEKGVTSIEF

Ligand ID

FAD

InChI

InChI=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

InChIKey

VWWQXMAJTJZDQX-UYBVJOGSSA-N

SMILES

Software	SMILES
CACTVS 3.341	Cc1cc2N=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 1.5.0	Cc1cc2c(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 1.5.0	Cc1cc2c(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 3.341	Cc1cc2N=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 10.04	O=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

Formula

C27 H33 N9 O15 P2

Name

FLAVIN-ADENINE DINUCLEOTIDE

PDB chain

5yly Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5yly Structural and enzymatic analysis of the cytochrome b5reductase domain of Ulva prolifera nitrate reductase.
Resolution	1.76 Å
Binding residue (original residue number in PDB)	H640 R659 A660 Y661 T662 V676 V677 Y680 H685 F688 G691 G692 K693 F694 S695 T743 T746
Binding residue (residue number reindexed from 1)	H45 R58 A59 Y60 T61 V75 V76 Y79 H84 F87 G90 G91 K92 F93 S94 T142 T145
Annotation score	2

Enzyme Commision number

1.7.1.1: nitrate reductase (NADH).

	Molecular Function
GO:0016491	oxidoreductase activity

PDB	RCSB:5yly, PDBe:5yly, PDBj:5yly
PDBsum	5yly
PubMed	29371148
UniProt	A0A286R227\|NIA_ULVPR Nitrate reductase [NADH]

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Structure of PDB 5yly Chain A Binding Site BS01