Structure of PDB 1d6z Chain A Binding Site BS04

Receptor Information
>1d6z Chain A (length=718) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVPMDKTLKEFGADVQWDDYAQLFTLIKDGAYVKVKPGAQTAIVNGQPLA
LQVPVVMKDNKAWVSDTFINDVFQSGLDQTFQVEKRPHPLNALTADEIKQ
AVEIVKASADFKPNTRFTEISLLPPDKEAVWAFALENKPVDQPRKADVIM
LDGKHIIEAVVDLQNNKLLSWQPIKDAHGMVLLDDFASVQNIINNSEEFA
AAVKKRGITDAKKVITTPLTVGYFDGKDGLKQDARLLKVISYLDVGDGNY
WAHPIENLVAVVDLEQKKIVKIEEGPVVPVPMTARPFDGRDRVAPAVKPM
QIIEPEGKNYTITGDMIHWRNWDFHLSMNSRVGPMISTVTYNDNGTKRKV
MYEGSLGGMIVPYGDPDIGWYFKAYLDSGDYGMGTLTSPIARGKDAPSNA
VLLNETIADYTGVPMEIPRAIAVFERYAGPEYKHQEMGQPNVSTERRELV
VRWISTVGNYDYIFDWIFHENGTIGIDAGATGIEAVKGVKAKTMHDETAK
DDTRYGTLIDHNIVGTTHQHIYNFRLDLDVDGENNSLVAMDPVVKPNTAG
GPRTSTMQVNQYNIGNEQDAAQKFDPGTIRLLSNPNKENRMGNPVSYQII
PYAGGTHPVAKGAQFAPDEWIYHRLSFMDKQLWVTRYHPGERFPEGKYPN
RSTHDTGLGQYSKDNESLDNTDAVVWMTTGTTHVARAEEWPIMPTEWVHT
LLKPWNFFDETPTLGALK
Ligand information
Ligand IDHY1
InChIInChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyDTUQWGWMVIHBKE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		O=CCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC=O
FormulaC8 H8 O
NamePHENYLACETALDEHYDE
ChEMBLCHEMBL1233464
DrugBankDB02178
ZINCZINC000000895323
PDB chain1d6z Chain A Residue 2001 [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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PDB1d6z Visualization of dioxygen bound to copper during enzyme catalysis.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L225 Y381 D383 Y387 V463 G464 Y466
Binding residue
(residue number reindexed from 1)		L219 Y375 D377 Y381 V457 G458 Y460
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Y369 D383 Y466 H524 H526 H689
Catalytic site (residue number reindexed from 1) Y363 D377 Y460 H518 H520 H683
Enzyme Commision number 1.4.3.21: primary-amine oxidase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0005509 calcium ion binding
GO:0008131 primary methylamine oxidase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0052595 aliphatic amine oxidase activity
Biological Process
GO:0006559 L-phenylalanine catabolic process
GO:0009308 amine metabolic process
GO:0019607 phenylethylamine catabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1d6z, PDBe:1d6z, PDBj:1d6z
PDBsum1d6z
PubMed10576737
UniProtP46883|AMO_ECOLI Primary amine oxidase (Gene Name=tynA)

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