Structure of PDB 4b4y Chain A Binding Site BS01

Receptor Information
>4b4y Chain A (length=149) Species: 84072 (Symsagittifera roscoffensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMQVSEEQQSLIMEDVQVLLPNYDDFVEDVLQQFMEENPETFQIFPWADA
SKTAKEMRSHPRFKSHAKSIGKVISDCLVDLNGVKKHEPKLSSLGAMHTK
KKVPTELFGKLGGCILTQVVKRVSEAKWSEEKKEAWLKAYGIITVMVTE
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 chain4b4y Chain A Residue 1155 [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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PDB4b4y Neuroglobins: Pivotal Proteins Associated with Emerging Neural Systems and Precursors of Metazoan Globin Diversity.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F39 I49 F50 P51 W52 H71 I75 H103 V108 L112 F113 L116 I148 T149
Binding residue
(residue number reindexed from 1)		F34 I44 F45 P46 W47 H66 I70 H98 V103 L107 F108 L111 I143 T144
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005344 oxygen carrier activity
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0001666 response to hypoxia
GO:0015671 oxygen transport

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4b4y, PDBe:4b4y, PDBj:4b4y
PDBsum4b4y
PubMed23288852
UniProtL7MTK4

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