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Receptor Information

>6eve Chain D (length=497) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LNPALEFRDFIQVLKDEDDLIEITEEIDPNLEVGAIMRKAYESHLPAPLF
KNLKGASKDLFSILGCPAGLRSKEKGDHGRIAHHLGLDPKTTIKEIIDYL
LECKEKEPLPPITVPVSSAPCKTHILSEEKIHLQSLPTPYLHVSDGGKYL
QTYGMWILQTPDKKWTNWSIAAGMVVDDKHITGLVIKPQHIRQIADSWAA
IGKANEIPFALCFGVPPAAILVSSMPIPEGVSESDYVGAILGESVPVVKC
ETNDLMVPATSEMVFEGTLSLTDTHLEGPFGEMHGYVFKSPCPLYTVKAM
SYRDNAILPVSNPGLCTDETHTLIGSLVATEAKELAIESGLPILDAFMPY
EAQALWLILKVDLKGLQALKTTPEEFCKKVGDIYFRTKVGFIVHEIILVA
DDIDIFNFKEVIWAYVTRHTPVADQMAFDDVTSFPLAPFVSQSSRSKTMK
GGKCVTNCIFRQQYERSFDYITCNFEKGYPKGLVDKVNENWKRYGYK

Ligand ID

4LU

InChI

InChI=1S/C22H29N4O9P/c1-10-7-12-16-15(11(10)2)22(3,4)5-6-25(16)17-19(23-21(31)24-20(17)30)26(12)8-13(27)18(29)14(28)9-35-36(32,33)34/h6-7,13-14,18,27-29H,5,8-9H2,1-4H3,(H3-,23,24,30,31,32,33,34)/p+1/t13-,14+,18-/m0/s1

InChIKey

KOUJZPGFPGLHCZ-IYOUNJFTSA-O

SMILES

Software	SMILES
OpenEye OEToolkits 1.9.2	Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C
CACTVS 3.385	Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(C(=O)NC(=O)N3)[N+]4=CCC(C)(C)c(c1C)c24
OpenEye OEToolkits 1.9.2	Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C
CACTVS 3.385	Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)C3=C(C(=O)NC(=O)N3)[N+]4=CCC(C)(C)c(c1C)c24
ACDLabs 12.01	c1c3c4c(c(c1C)C)C(C)(CC=[N+]4C2=C(NC(NC2=O)=O)N3CC(C(C(O)COP(O)(O)=O)O)O)C

Formula

C22 H30 N4 O9 P

Name

1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol;
prenylated-FMN iminium form

PDB chain

6eve Chain D Residue 601 [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	6eve The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
Resolution	2.05 Å
Binding residue (original residue number in PDB)	T155 N170 S172 I173 A174 A175 Q192 H193 S227 P229 S317 I330 K394
Binding residue (residue number reindexed from 1)	T152 N167 S169 I170 A171 A172 Q189 H190 S224 P226 S311 I324 K388
Annotation score	1

Enzyme Commision number

4.1.1.102: phenacrylate decarboxylase.

	Molecular Function
GO:0016831	carboxy-lyase activity
GO:0046872	metal ion binding

	Biological Process
GO:0033494	ferulate metabolic process
GO:0046281	cinnamic acid catabolic process
GO:1901067	ferulate catabolic process

	Cellular Component
GO:0005737	cytoplasm

PDB	RCSB:6eve, PDBe:6eve, PDBj:6eve
PDBsum	6eve
PubMed	29259125
UniProt	Q03034\|FDC1_YEAST Ferulic acid decarboxylase 1 (Gene Name=FDC1)

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Structure of PDB 6eve Chain D Binding Site BS01