Structure of PDB 1ycb Chain A Binding Site BS01
Receptor Information
>1ycb Chain A (length=153) Species:
9823
(Sus scrofa) [
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GLSDGEWQLVLNVWGKVEADVAGHGQEVLIRLFKGHPETLEKFDKFKHLK
SEDEMKASEDLKKHGNTTLTALGGILKKKGHHEAELTPLAQSHATKHKIP
VKYLEFISEAIIQVLQSKHPGDFGADAQGAMSKALELFRNDMAAKYKELG
FQG
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
1ycb Chain A Residue 154 [
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Receptor-Ligand Complex Structure
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PDB
1ycb
Distal pocket polarity in ligand binding to myoglobin: deoxy and carbonmonoxy forms of a threonine68(E11) mutant investigated by X-ray crystallography and infrared spectroscopy.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
F43 H64 T68 L89 S92 H93 H97 I99 I107
Binding residue
(residue number reindexed from 1)
F43 H64 T68 L89 S92 H93 H97 I99 I107
Annotation score
4
Enzymatic activity
Enzyme Commision number
1.11.1.-
1.7.-.-
Gene Ontology
Molecular Function
GO:0004601
peroxidase activity
GO:0005344
oxygen carrier activity
GO:0016491
oxidoreductase activity
GO:0019825
oxygen binding
GO:0020037
heme binding
GO:0046872
metal ion binding
GO:0098809
nitrite reductase activity
Biological Process
GO:0015671
oxygen transport
GO:0019430
removal of superoxide radicals
Cellular Component
GO:0005737
cytoplasm
GO:0016528
sarcoplasm
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1ycb
,
PDBe:1ycb
,
PDBj:1ycb
PDBsum
1ycb
PubMed
8241160
UniProt
P02189
|MYG_PIG Myoglobin (Gene Name=MB)
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