Structure of PDB 1ufj Chain A Binding Site BS01

Receptor Information
>1ufj Chain A (length=154) Species: 9755 (Physeter catodon) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHL
KTEAEMKASEDLKKHGVTVLTGLGAILKKKGHHEAELKPLAQSHATKHKI
PIKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKEL
GYQG
Ligand information
Ligand IDCZM
InChIInChI=1S/C22H20N2O2/c1-15-7-5-9-17(21(15)25)13-23-19-11-3-4-12-20(19)24-14-18-10-6-8-16(2)22(18)26/h3-14,25-26H,1-2H3/b23-13+,24-14+
InChIKeyDNVUYVBRNCWGAK-RNIAWFEPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc(c1O)C=Nc2ccccc2N=Cc3cccc(c3O)C
OpenEye OEToolkits 1.5.0Cc1cccc(c1O)\C=N\c2ccccc2/N=C/c3cccc(c3O)C
CACTVS 3.341Cc1cccc(C=Nc2ccccc2N=Cc3cccc(C)c3O)c1O
ACDLabs 10.04Oc3c(/C=N/c2ccccc2/N=C/c1cccc(c1O)C)cccc3C
FormulaC22 H20 N2 O2
Name'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE';
3,3'-ME2-SALOPHEN
ChEMBL
DrugBank
ZINCZINC000018252351
PDB chain1ufj Chain A Residue 180 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ufj Crystal Structures of Artificial Metalloproteins: Tight Binding of Fe(III)(Schiff-Base) by Mutation of Ala71 to Gly in Apo-Myoglobin
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F43 H64 V68 L89 H93 H97 I99 Y103 F138
Binding residue
(residue number reindexed from 1)		F44 H65 V69 L90 H94 H98 I100 Y104 F139
Annotation score1
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
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ufj, PDBe:1ufj, PDBj:1ufj
PDBsum1ufj
PubMed15106972
UniProtP02185|MYG_PHYMC Myoglobin (Gene Name=MB)

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