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Receptor Information

>6nzx Chain A (length=76) Species: 1776333 (Hadesarchaea archaeon YNP_N21) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MRVFTKEELSRYNGKEGAPAYVAYNGKVYDVTGSFHWKGGKHHVLHDAGQ
DLTESIGRAPHTAELLEKFPVVGVLR

Ligand ID

HEM

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,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-;

InChIKey

KABFMIBPWCXCRK-RGGAHWMASA-L

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1c2n3c(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 3.385	CC1=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 12.01	C=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

Formula

C34 H32 Fe N4 O4

Name

PROTOPORPHYRIN IX CONTAINING FE;
HEME

PDB chain

6nzx Chain A Residue 101 [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	6nzx Hadesarchaea YNP_N21 cytochrome b5 domain protein (KUO41884.1)
Resolution	1.9 Å
Binding residue (original residue number in PDB)	S34 H36 W37 H42 H43 H46 L52 I56 R58 A59 P60 H61 L65 L66 K68 F69
Binding residue (residue number reindexed from 1)	S34 H36 W37 H42 H43 H46 L52 I56 R58 A59 P60 H61 L65 L66 K68 F69
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0046872	metal ion binding

PDB	RCSB:6nzx, PDBe:6nzx, PDBj:6nzx
PDBsum	6nzx
PubMed
UniProt	A0A147JZ41

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Structure of PDB 6nzx Chain A Binding Site BS01