Structure of PDB 8ibc Chain Ac Binding Site BS01

Receptor Information
>8ibc 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 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 chain8ibc Chain Ac Residue 401 [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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PDB8ibc Respiratory complex CIII2, focus-refined of type IB, Wild type mouse under cold temperature
Resolution3.6 Å
Binding residue
(original residue number in PDB)		Q44 I45 G48 V66 H83 A87 G130 Y131 L133 P134 H182 F183 P186 F187
Binding residue
(residue number reindexed from 1)		Q37 I38 G41 V59 H76 A80 G123 Y124 L126 P127 H175 F176 P179 F180
Annotation score4
External links
PDB RCSB:8ibc, PDBe:8ibc, PDBj:8ibc
PDBsum8ibc
PubMed
UniProtP00158|CYB_MOUSE Cytochrome b (Gene Name=Mt-Cyb)

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