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Receptor Information

>6giw Chain B (length=155) Species: 59292 (Lepidium virginicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EEPVKDTNGNPLKIETRYFIQPASGGGLVPANVDLSHLCPLGIVRTSLPY
QPGLPVTISTPNDVLTNTNIAITFDAPIWPCPSSKTWTVDSSSEEKYIIT
GGDPKSGESFFRIEKYGNGKNTYKLVGKSVGSTKSLWGPALVLNDAFPIK
FREVD

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

6giw 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	6giw Chlorophyll a/b binding-specificity in water-soluble chlorophyll protein.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	V35 P36 A37 N38 L47 T52 S53 W90 P91 W154
Binding residue (residue number reindexed from 1)	V29 P30 A31 N32 L41 T46 S47 W79 P80 W137
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0004866	endopeptidase inhibitor activity

PDB	RCSB:6giw, PDBe:6giw, PDBj:6giw
PDBsum	6giw
PubMed	30297830
UniProt	O04797

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Structure of PDB 6giw Chain B Binding Site BS01