Structure of PDB 8ic2 Chain Ac Binding Site BS01

Receptor Information

>8ic2 Chain Ac (length=369) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HPLFKIINHSFIDLPAPSNISSWWNFGSLLGVCLMVQIITGLFLAMHYTS
DTMTAFSSVTHICRDVNYGWLIRYMHANGASMFFICLFLHVGRGLYYGSY
TFMETWNIGVLLLFAVMATAFMGYVLPWGQMSFWGATVITNLLSIGTTLV
EWIWGGFSVDKATLTRFFAFHFILPFIIAALAIVHLLFLHETGSNNPTGL
NSDADKIPFHPYYTIKDILGILIMFLILMTLVLFFPDMLGDPDNYMPANP
LNTPPHIKPEWYFLFAYAILRSIPNKLGGVLALILSILILALMPFLHTSK
QRSLMFRPITQILYWILVANLLILTWIGGQPVEHPFIIIGQLASISYFSI
ILILMPISGIIEDKMLKLY

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

8ic2 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	8ic2 Respiratory complex CI:CIII2, type I, PERK -/- mouse under cold temperature
Resolution	6.3 Å
Binding residue (original residue number in PDB)	Q44 I45 G48 L51 R80 H83 A87 A127 G130 P134 H182 F183 P186 F187
Binding residue (residue number reindexed from 1)	Q37 I38 G41 L44 R73 H76 A80 A120 G123 P127 H171 F172 P175 F176
Annotation score	4

External links

PDB	RCSB:8ic2, PDBe:8ic2, PDBj:8ic2
PDBsum	8ic2
PubMed
UniProt	P00158\|CYB_MOUSE Cytochrome b (Gene Name=Mt-Cyb)

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