Structure of PDB 6w32 Chain B Binding Site BS01

Receptor Information
>6w32 Chain B (length=288) Species: 307796 (Saccharomyces cerevisiae YJM789) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKFDNDSEKQVFDKLKKAIPGIIKEKCAGYDELYGYKLNPQEEVDKYYDE
KIADRLTYKLCKAYQFEYSTIVQNLIDILNWRREFNPLSCAYKEVHNTEL
QNVGILTFDANGDANKKAVTWNLYGQLVKKKELFQNVDKFVRYRIGLMEK
GLSLLDFTSSDNNYMTQVHDYKGVSVWRMDSDIKNCSKTVIGIFQKYYPE
LLYAKYFVNVPTVFGWVYDLIKKFVDETTRKKFVVLTDGSKLGQYLKDCP
YEGYGGKDKKNNLTKQNVTNVHPTEYGLYILQKQIIED
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 B 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)		Y128 F138 R148 H173 Y175 V178 M183 I187 S191 I195 F198 K209 F211 V214 F218 V221 Y222 I225 F237
Binding residue
(residue number reindexed from 1)		Y124 F134 R144 H169 Y171 V174 M179 I183 S187 I191 F194 K205 F207 V210 F214 V217 Y218 I221 F233
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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