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Receptor Information

>8gbk Chain E (length=98) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DPLTPAISDRICKHMNEDHASAIALYAQVFGQQTDVTMAQMQAIDPTGMD
LVVESEGGSKTIRIEFEQPLKDSEDAAQVLIAMAKQAASVGKNSAENL

Ligand ID

HEB

InChI

InChI=1S/C34H36N4O4.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;/h8,13-16H,2,7,9-12H2,1,3-6H3,(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-;

InChIKey

NEGHHAJBRZGUAY-RGGAHWMASA-L

SMILES

Software	SMILES
CACTVS 3.385	CCC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C
CACTVS 3.385	CCC1=C(C)C2=NC1=Cc3n4[Fe][N@@]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C
OpenEye OEToolkits 2.0.7	CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C

Formula

C34 H34 Fe N4 O4

Name

HEME B/C;
HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE)

ChEMBL

DrugBank

ZINC

PDB chain

8gbk Chain E Residue 201 [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	8gbk A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	R12 I13 H16 H21 A79 I83
Binding residue (residue number reindexed from 1)	R10 I11 H14 H19 A77 I81
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0046872	metal ion binding

PDB	RCSB:8gbk, PDBe:8gbk, PDBj:8gbk
PDBsum	8gbk
PubMed	38609367
UniProt	P73129

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Structure of PDB 8gbk Chain E Binding Site BS01