Structure of PDB 8ib4 Chain AC Binding Site BS02

Receptor Information

>8ib4 Chain AC (length=373) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HPLFKIINHSFIDLPAPSNISSWWNFGSLLGVCLMVQIITGLFLAMHYTS
DTMTAFSSVTHICRDVNYGWLIRYMHANGASMFFICLFLHVGRGLYYGSY
TFMETWNIGVLLLFAVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIG
TTLVEWIWGGFSVDKATLTRFFAFHFILPFIIAALAIVHLLFLHETGSNN
PTGLNSDADKIPFHPYYTIKDILGILIMFLILMTLVLFFPDMLGDPDNYM
PANPLNTPPHIKPEWYFLFAYAILRSIPNKLGGVLALILSILILALMPFL
HTSKQRSLMFRPITQILYWILVANLLILTWIGGQPVEHPFIIIGQLASIS
YFSIILILMPISGIIEDKMLKLY

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

8ib4 Chain AC Residue 402 [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	8ib4 Respiratory complex CI:CIII2, type IA, Wild type mouse under cold temperature
Resolution	4.3 Å
Binding residue (original residue number in PDB)	W31 G34 L37 L94 H97 V98 R100 S106 W113 G116 L119 H196 L200 S205 N206
Binding residue (residue number reindexed from 1)	W24 G27 L30 L87 H90 V91 R93 S99 W106 G109 L112 H189 L193 S198 N199
Annotation score	4

External links

PDB	RCSB:8ib4, PDBe:8ib4, PDBj:8ib4
PDBsum	8ib4
PubMed
UniProt	P00158\|CYB_MOUSE Cytochrome b (Gene Name=Mt-Cyb)

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