Structure of PDB 6l8i Chain A Binding Site BS01

Receptor Information
>6l8i Chain A (length=439) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EAFFIPLYELFLTYGGIFRLTFGPKSFLIVSDPSIAKHILKDNAKAYSKG
ILAEILDFVMGKGLIPADGEIWRRRRRAIVPALHQKYVAAMISLFGEASD
RLCQKLDAAALKGEEVEMESLFSRLTLDIIGKAVFNYDFDSLTNDTGVIE
AVYTVLREAEDRSPRQRKVATSLKLINDTLDDLIATCKRMVEEEELQFHE
EYMNERDPSILHFLLASGDDVSSKQLRDDLMTMLIAGHETSAAVLTWTFY
LLTTEPSVVAKLQEEVDSVIGDRFPTIQDMKKLKYTTRVMNESLRLYPQP
PVLIRRSIDNDILGEYPIKRGEDIFISVWNLHRSPLHWDDAEKFNPERWP
LDGPNPNETNQNFSYLPFGGGPRKCIGDMFASFENVVAIAMLIRRFNFQI
APGAPPVKMTTGATIHTTEGLKLTVTKRTKPLDIPSVPI
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain6l8i Chain A Residue 601 [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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PDB6l8i Structural basis for plant lutein biosynthesis from alpha-carotene.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		K174 L189 I190 W197 R201 A377 G378 T381 S382 Q440 L444 R446 F509 R514 C516 I517 G518 F521 A522
Binding residue
(residue number reindexed from 1)		K49 L64 I65 W72 R76 A236 G237 T240 S241 Q299 L303 R305 F368 R373 C375 I376 G377 F380 A381
Annotation score4
Enzymatic activity
Enzyme Commision number 1.14.-.-
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:6l8i, PDBe:6l8i, PDBj:6l8i
PDBsum6l8i
PubMed32513704
UniProtQ93VK5|LUT5_ARATH Protein LUTEIN DEFICIENT 5, chloroplastic (Gene Name=CYP97A3)

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