Structure of PDB 1i55 Chain B Binding Site BS02
Receptor Information
>1i55 Chain B (length=103) Species:
8237
(Thunnus thynnus) [
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GDVAKGKKTFVQKCAQCHTVENGGKHKVGPNLWGLFGRKTGQAEGYSYTD
ANKSKGIVWNNDTLMEYLENPKKYIPGTKMIFAGIKKKGERQDLVAYLKS
ATS
Ligand information
Ligand ID
ZNH
InChI
InChI=1S/C34H34N4O4.Zn/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
FUTVBRXUIKZACV-RGGAHWMASA-L
SMILES
Software
SMILES
CACTVS 3.385
CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Zn][N@@]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=C)C(=C(CCC(O)=O)C5=C2)C
CACTVS 3.385
CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Zn][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=C)C(=C(CCC(O)=O)C5=C2)C
OpenEye OEToolkits 2.0.7
Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C
Formula
C34 H32 N4 O4 Zn
Name
PROTOPORPHYRIN IX CONTAINING ZN
ChEMBL
DrugBank
DB03934
ZINC
PDB chain
1i55 Chain B Residue 1107 [
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Receptor-Ligand Complex Structure
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PDB
1i55
Electron tunneling in protein crystals.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
C14 C17 H18 G29 P30 G41 Y48 T49 N52 W59 Y67 L68 T78 K79 M80 F82 L94
Binding residue
(residue number reindexed from 1)
C14 C17 H18 G29 P30 G41 Y48 T49 N52 W59 Y67 L68 T78 K79 M80 F82 L94
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0009055
electron transfer activity
GO:0020037
heme binding
GO:0046872
metal ion binding
Biological Process
GO:0006122
mitochondrial electron transport, ubiquinol to cytochrome c
GO:0006123
mitochondrial electron transport, cytochrome c to oxygen
GO:0043280
positive regulation of cysteine-type endopeptidase activity involved in apoptotic process
Cellular Component
GO:0005739
mitochondrion
GO:0005758
mitochondrial intermembrane space
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Cellular Component
External links
PDB
RCSB:1i55
,
PDBe:1i55
,
PDBj:1i55
PDBsum
1i55
PubMed
11296248
UniProt
P81459
|CYC_THUAA Cytochrome c (Gene Name=cyc)
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