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Structure of PDB 2n3b Chain A Binding Site BS01

Receptor Information >2n3b Chain A (length=104) Species: 9796 (Equus caballus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] GDVEKGKKIFVQKCAQCHTVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTD ANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKK ATNE

Ligand information Ligand ID HEC InChI InChI=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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-; InChIKey HXQIYSLZKNYNMH-LJNAALQVSA-N SMILES Software SMILES ACDLabs 10.04 O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C OpenEye OEToolkits 1.5.0 CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C CACTVS 3.341 C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C CACTVS 3.341 CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C Formula C34 H34 Fe N4 O4 Name HEME C ChEMBL DrugBank ZINC PDB chain 2n3b Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2n3b Defining the Apoptotic Trigger: THE INTERACTION OF CYTOCHROME c AND CARDIOLIPIN. Resolution N/A Binding residue (original residue number in PDB) K13 C14 Q16 C17 H18 P30 L32 Y48 N52 W59 Y67 L68 T78 K79 M80 Binding residue (residue number reindexed from 1) K13 C14 Q16 C17 H18 P30 L32 Y48 N52 W59 Y67 L68 T78 K79 M80 Annotation score 4

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0005515 protein binding GO:0008289 lipid binding GO:0009055 electron transfer activity GO:0020037 heme binding GO:0042802 identical protein binding GO:0046872 metal ion binding

	Biological Process
GO:0006122	mitochondrial electron transport, ubiquinol to cytochrome c
GO:0006123	mitochondrial electron transport, cytochrome c to oxygen
GO:0006915	apoptotic process
GO:0018063	cytochrome c-heme linkage
GO:0043065	positive regulation of apoptotic process
GO:0043280	positive regulation of cysteine-type endopeptidase activity involved in apoptotic process
GO:2001056	positive regulation of cysteine-type endopeptidase activity

	Cellular Component
GO:0005739	mitochondrion
GO:0005758	mitochondrial intermembrane space
GO:0005829	cytosol
GO:0070069	cytochrome complex

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