Structure of PDB 6w32 Chain C Binding Site BS01

Receptor Information
>6w32 Chain C (length=286) Species: 307796 (Saccharomyces cerevisiae YJM789) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKFDNDSEKQVFDKLKKAIPGIIKEKCAGYDELYGYKLNPEVDKYYDEKI
ADRLTYKLCKAYQFEYSTIVQNLIDILNWRREFNPLSCAYKEVHNTELQN
VGILTFDANGDANKKAVTWNLYGQLVKKKELFQNVDKFVRYRIGLMEKGL
SLLDFTSSDNNYMTQVHDYKGVSVWRMDSDIKNCSKTVIGIFQKYYPELL
YAKYFVNVPTVFGWVYDLIKKFVDETTRKKFVVLTDGSKLGQYLKDCPYE
GYGGKDKKNNLTKQNVTNVHPTEYGLYILQKQIIED
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 chain6w32 Chain C Residue 301 [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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PDB6w32 A Sec14-like phosphatidylinositol transfer protein paralog defines a novel class of heme-binding proteins.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F138 F144 R148 H173 Y175 V178 I187 S191 V194 I195 K209 F211 F218 V221 Y222 I225 F237
Binding residue
(residue number reindexed from 1)		F132 F138 R142 H167 Y169 V172 I181 S185 V188 I189 K203 F205 F212 V215 Y216 I219 F231
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008526 phosphatidylinositol transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006869 lipid transport
GO:0015914 phospholipid transport
GO:0017157 regulation of exocytosis
GO:0043001 Golgi to plasma membrane protein transport
GO:0046488 phosphatidylinositol metabolic process
GO:0120009 intermembrane lipid transfer
GO:2000114 regulation of establishment of cell polarity
Cellular Component
GO:0000329 fungal-type vacuole membrane
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0032541 cortical endoplasmic reticulum
GO:0071944 cell periphery

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6w32, PDBe:6w32, PDBj:6w32
PDBsum6w32
PubMed32780017
UniProtP47008|SFH5_YEAST Phosphatidylinositol transfer protein SFH5 (Gene Name=SFH5)

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