Structure of PDB 8iar Chain AC Binding Site BS02
Receptor Information
>8iar 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
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
8iar Chain AC Residue 403 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
8iar
Respiratory complex CIII2, focus-refined of type I, Wild type mouse under thermoneutral temperature
Resolution
3.4 Å
Binding residue
(original residue number in PDB)
W31 G34 L37 G38 L94 H97 R100 S106 G116 H196 S205 N206
Binding residue
(residue number reindexed from 1)
W24 G27 L30 G31 L87 H90 R93 S99 G109 H189 S198 N199
Annotation score
4
External links
PDB
RCSB:8iar
,
PDBe:8iar
,
PDBj:8iar
PDBsum
8iar
PubMed
UniProt
P00158
|CYB_MOUSE Cytochrome b (Gene Name=Mt-Cyb)
[
Back to BioLiP
]