Structure of PDB 3zyv Chain C Binding Site BS01

Receptor Information
>3zyv Chain C (length=1244) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDELIFFVNGKKVTERNADPEVNLLFYLRKVIRLTGTKYGCGGGDCGACT
VMISRYDPISKRISHFSATACLVPICSLHGAAVTTVEGIGSTKTRIHPVQ
ERIAKGHGTQCGFCTPGMVMSIYTLLRNHPEPSTEQIMETLGGNLCRCTG
YRPIVESAKSFCTKLYEKKEFQPLDPTQELIFPPELMRMAEQNTVLTFRG
ERTTWIAPGTLNDLLELKMKHPSAPLVIGNTYLGLHMKYPIIISPARILE
LFVVTNTKQGLTLGTGLSLTQVKNVLSDVVSRLPKEKTQIYCALLKQLKT
LAGQQIRNVASLGGHIISRLPTSDLNPILGIGNCILNVASTEGIQQIPLN
DHFLAGILKPEQVLISVFVPRSSKWEFVSAFRQAPRQQNAFATVNAGMKV
VFNTITDLGILYGGIGATVISADKSCRQLIGRCWDEEMLDDAGKMICEEV
SLLMAAPGGMEEYRKTLAISFLFMFYLDVLKQLKTRDSQKLLHIEDFPGM
QSFQDVDFQQPLQDPIGRPIMHQSGIKHATGEAVFCDDMSVLPGELFLAV
VTSSKSHAKIISLDASEALASLGVVDVVTARDVPGDNGEESLYAQDEVIC
VGQIVCAVAADSYAHAQQAAKKVKIVYQDIPMIVTVQDALQYESFIGPER
KLEQGNVEEAFQCADQILEGEVHLGGQEHFYMETQSVRVVPKGEDKEMDI
YVSSQDAAFTQEMVARTLGIPKNRINCHVKRVGGAFGGKASKPGLLASVA
AVAAQKTGRPIRFILERRDDMLITGGRHPLLGKYKIGFMNNGKIKAADIQ
LYINGGCTPDDSELVIEYALLKLENAYNLRVRGRVCKTNLPSNTAFRGFG
FPQGAFVTETCMSAVAAKCRPPEKVRELNMYRTIDRTIHNQTNLLQCWEA
CVENSSYYNRKKAVDEFNQQRFWKKRGIAIIPMKFSVGFPKTFYYQAAAL
VQIYTDGSVLVAHGGVELGQGINTKMIQVASRELKIPMSYIHLDEMSTVT
VPNTVTTGASTGADVNGRAVQNACQILMKRLEPIIKQNPSGTWEEWVKEA
FVQSISLSATGYFRGYQADMDWEKGEGDIFPYFVFGAACSEVEIDCLTGA
HKNIRTDIVMDGSFSINPAVDIGQIEGAFVQGLGLYTLEELKYSPEGVLY
TRHQYKIASVTDIPEEFHVSLLTPTPNPKAIYSSKGLGEAGTFLGCSVFF
AIAAAVAAAREERPIWAINSPATAEVIRMACEDQFTNLPWSIPV
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3zyv Chain C Residue 3001 [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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PDB3zyv The First Mammalian Aldehyde Oxidase Crystal Structure: Insights Into Substrate Specificity.
Resolution2.545 Å
Binding residue
(original residue number in PDB)		Q116 C117 G118 C120 C152 C154
Binding residue
(residue number reindexed from 1)		Q110 C111 G112 C114 C146 C148
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q772 A807 Y885 K889 R917 G1265 E1266
Catalytic site (residue number reindexed from 1) Q705 A740 Y818 K822 R847 G1188 E1189
Enzyme Commision number 1.17.3.-
1.2.3.1: aldehyde oxidase.
Gene Ontology
Molecular Function
GO:0004031 aldehyde oxidase activity
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0030151 molybdenum ion binding
GO:0042803 protein homodimerization activity
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
GO:0051287 NAD binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0071949 FAD binding
Biological Process
GO:0006805 xenobiotic metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3zyv, PDBe:3zyv, PDBj:3zyv
PDBsum3zyv
PubMed23019336
UniProtG3X982|AOXC_MOUSE Aldehyde oxidase 3 (Gene Name=Aox3)

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