Structure of PDB 1m59 Chain A Binding Site BS01

Receptor Information

>1m59 Chain A (length=82) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AVKYYTLEEIQKHNNSKSTWLILHYKVYDLTKFLEEHVGGEEVLREQAGG
DATENFEDVGHSTDARELSKTFIIGELHPDDR

Ligand information

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

1m59 Chain A 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	1m59 Proline40 is essential to maintaining cytochrome b5 stability and its electron transfer with cytochrome c
Resolution	1.9 Å
Binding residue (original residue number in PDB)	F35 H39 G41 V45 L46 F58 H63 S64 A67 S71
Binding residue (residue number reindexed from 1)	F33 H37 G39 V43 L44 F56 H61 S62 A65 S69
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:1m59, PDBe:1m59, PDBj:1m59
PDBsum	1m59
PubMed
UniProt	P00171\|CYB5_BOVIN Cytochrome b5 (Gene Name=CYB5A)

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