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Receptor Information

>1qn0 Chain A (length=112) Species: 879 (Megalodesulfovibrio gigas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VDVPADGAKIDFIAGGEKNLTVVFNHSTHKDVKCDDCHHQPGDKQYAGCT
TDGCHNILDKADKSVNSWYKVVHDAKGGAKPTCISCHKDKAGDDKELKKK
LTGCKGSACHPS

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

1qn0 Chain A Residue 115 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1qn0 Structural Basis for the Network of Functional Cooperativities in Cytochrome C3 from Desulfovibrio Gigas: Solution Structures of the Oxidised and Reduced States
Resolution	N/A
Binding residue (original residue number in PDB)	F24 T28 H29 C83 C86 H87 K90 L101 A108
Binding residue (residue number reindexed from 1)	F24 T28 H29 C83 C86 H87 K90 L101 A108
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0009055	electron transfer activity
GO:0020037	heme binding
GO:0046872	metal ion binding

	Biological Process
GO:0009061	anaerobic respiration

PDB	RCSB:1qn0, PDBe:1qn0, PDBj:1qn0
PDBsum	1qn0
PubMed	10756105
UniProt	P00133\|CYC3_MEGG1 Cytochrome c3

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Structure of PDB 1qn0 Chain A Binding Site BS03