Structure of PDB 8ic2 Chain Ac Binding Site BS02

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 IDHEM
InChIInChI=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-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(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 3.385CC1=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 12.01C=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
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain8ic2 Chain Ac Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ic2 Respiratory complex CI:CIII2, type I, PERK -/- mouse under cold temperature
Resolution6.3 Å
Binding residue
(original residue number in PDB)		W31 L37 L94 H97 V98 R100 S106 W113 G116 L119 H196 L200 S205 N206
Binding residue
(residue number reindexed from 1)		W24 L30 L87 H90 V91 R93 S99 W106 G109 L112 H185 L189 S194 N195
Annotation score4
External links
PDB RCSB:8ic2, PDBe:8ic2, PDBj:8ic2
PDBsum8ic2
PubMed
UniProtP00158|CYB_MOUSE Cytochrome b (Gene Name=Mt-Cyb)

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