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Receptor Information

>1m70 Chain C (length=190) Species: 316 (Stutzerimonas stutzeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AGDAEAGQGKVAVCGACHGVDGNSPAPNFPKLAGQGERYLLKQLQDIKAG
STPGAPEGVGRKVLEMTGMLDPLSDQDLEDIAAYFSSQKGSVGYADPALA
KQGEKLFRGGKLDQGMPACTGCHAPNGVGNDLAGFPKLGGQHAAYTAKQL
TDFREGNRTNDGDTMIMRGVAAKLSNKDIEALSSYIQGLH

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

1m70 Chain C Residue 200 [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	1m70 Cytochrome c4
Resolution	1.25 Å
Binding residue (original residue number in PDB)	Y39 K42 Q43 C119 C122 H123 F135 P136 L138 Y145 R158 N160 I166 M167
Binding residue (residue number reindexed from 1)	Y39 K42 Q43 C119 C122 H123 F135 P136 L138 Y145 R158 N160 I166 M167
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0005506	iron ion binding
GO:0009055	electron transfer activity
GO:0020037	heme binding
GO:0046872	metal ion binding

	Cellular Component
GO:0042597	periplasmic space

PDB	RCSB:1m70, PDBe:1m70, PDBj:1m70
PDBsum	1m70
PubMed
UniProt	Q52369\|CYC4_STUST Cytochrome c4 (Gene Name=cc4)

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Structure of PDB 1m70 Chain C Binding Site BS02