Structure of PDB 1opm Chain A Binding Site BS04

Receptor Information
>1opm Chain A (length=310) 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
TIPAEANIPI
Ligand information
Ligand IDIYG
InChIInChI=1S/C13H14I2N2O5/c1-6(18)17-10(13(22)16-5-11(19)20)4-7-2-8(14)12(21)9(15)3-7/h2-3,10,21H,4-5H2,1H3,(H,16,22)(H,17,18)(H,19,20)/t10-/m0/s1
InChIKeySXRYVFRVDCDPKH-JTQLQIEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC(Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O
CACTVS 3.341CC(=O)N[CH](Cc1cc(I)c(O)c(I)c1)C(=O)NCC(O)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O
CACTVS 3.341CC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)NCC(O)=O
ACDLabs 10.04Ic1cc(cc(I)c1O)CC(C(=O)NCC(=O)O)NC(=O)C
FormulaC13 H14 I2 N2 O5
NameN-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINE
ChEMBL
DrugBankDB02598
ZINCZINC000014880426
PDB chain1opm Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1opm Substrate-mediated electron transfer in peptidylglycine alpha-hydroxylating monooxygenase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F112 A135 L206 M208 R240 H242 M314 N316 Y318
Binding residue
(residue number reindexed from 1)		F68 A91 L162 M164 R196 H198 M270 N272 Y274
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:1opm, PDBe:1opm, PDBj:1opm
PDBsum1opm
PubMed10504734
UniProtP14925|AMD_RAT Peptidylglycine alpha-amidating monooxygenase (Gene Name=Pam)

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