Structure of PDB 4e4z Chain A Binding Site BS03

Receptor Information
>4e4z Chain A (length=312) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFV
IDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARN
APPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLT
RVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTH
HLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCV
FTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFR
TIPAEANIPIPV
Ligand information
Ligand IDPEO
InChIInChI=1S/H2O2/c1-2/h1-2H
InChIKeyMHAJPDPJQMAIIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		OO
FormulaH2 O2
NameHYDROGEN PEROXIDE
ChEMBLCHEMBL71595
DrugBankDB11091
ZINC
PDB chain4e4z Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e4z Coordination of peroxide to the Cu(M) center of peptidylglycine alpha-hydroxylating monooxygenase (PHM): structural and computational study.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		E128 H244 M314
Binding residue
(residue number reindexed from 1)		E84 H200 M270
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H107 H108 Q170 H172 H242 H244 M314
Catalytic site (residue number reindexed from 1) H63 H64 Q126 H128 H198 H200 M270
Enzyme Commision number 1.14.17.3: peptidylglycine monooxygenase.
4.3.2.5: peptidylamidoglycolate lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004497 monooxygenase activity
GO:0005507 copper ion binding
GO:0016715 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced ascorbate as one donor, and incorporation of one atom of oxygen
Biological Process
GO:0006518 peptide metabolic process
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4e4z, PDBe:4e4z, PDBj:4e4z
PDBsum4e4z
PubMed23247335
UniProtP14925|AMD_RAT Peptidylglycine alpha-amidating monooxygenase (Gene Name=Pam)

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