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Receptor Information

>2dre Chain B (length=173) Species: 59292 (Lepidium virginicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EEPVKDTNGNPLKIETRYFIQPASDNNGGGLVPANVDLSHLCPLGIVRTS
LPYQPGLPVTISTPSSSEGNDVLTNTNIAITFDAPIWLCPSSKTWTVDSS
SEEKYIITGGDPKSGESFFRIEKYGNGKNTYKLVRGEGKSVGSTKSLWGP
ALVLNDDDDSDENAFPIKFREVD

Ligand ID

CLA

InChI

InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1

InChIKey

ATNHDLDRLWWWCB-AENOIHSZSA-M

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385	CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
ACDLabs 12.01	O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
OpenEye OEToolkits 2.0.7	CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385	CCC1=C(C)C2=Cc3n4[Mg][N@@]5C(=CC1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C

Formula

C55 H72 Mg N4 O5

Name

CHLOROPHYLL A

PDB chain

2dre Chain B 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	2dre Structural mechanism and photoprotective function of water-soluble chlorophyll-binding protein.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	V35 P36 A37 N38 L47 T52 S53 L54 Q57 L60 W90 W154
Binding residue (residue number reindexed from 1)	V32 P33 A34 N35 L44 T49 S50 L51 Q54 L57 W87 W148
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0004866	endopeptidase inhibitor activity

PDB	RCSB:2dre, PDBe:2dre, PDBj:2dre
PDBsum	2dre
PubMed	17170107
UniProt	O04797

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Structure of PDB 2dre Chain B Binding Site BS02