Structure of PDB 3am9 Chain A

Receptor sequence

>3am9A (length=1293) Species: 9913 (Bos taurus)

ADELVFFVNGKKVVEKNADPETTLLAYLRRKLGLRGTKLGCGEGGCGACT
VMLSKYDRLQDKIIHFSANACLAPICTLHHVAVTTVEGIGSTKTRLHPVQ
ERIAKSHGSQCGFCTPGIVMSMYTLLRNQPEPTVEEIEDAFQGNLCRCTG
YRPILQGFRTFAKSPSLFNPEEFMPLDPTQEPIFPPELLRLKDVPPKQLR
FEGERVTWIQASTLKELLDLKAQHPEAKLVVGNTEIGIEMKFKNQLFPMI
ICPAWIPELNAVEHGPEGISFGAACALSSVEKTLLEAVAKLPTQKTEVFR
GVLEQLRWFAGKQVKSVASLGGNIITASPISDLNPVFMASGTKLTIVSRG
TRRTVPMDHTFFPSYRKTLLGPEEILLSIEIPYSREDEFFSAFKQASRRE
DDIAKVTCGMRVLFQPGSMQVKELALCYGGMADRTISALKTTQKQLSKFW
NEKLLQDVCAGLAEELSLSPDAPGGMIEFRRTLTLSFFFKFYLTVLKKLG
KDKLDPTYTSATLLFQKHPPANIQLFQEVPNGQSKEDTVGRPLPHLAAAM
QASGEAVYCDDIPRYENELFLRLVTSTRAHAKIKSIDVSEAQKVPGFVCF
LSADDIPGSNETGLFNDETVFAKDTVTCVGHIIGAVVADTPEHAERAAHV
VKVTYEDLPAIITIEDAIKNNSFYGSELKIEKGDLKKGFSEADNVVSGEL
YIGGQDHFYLETHCTIAIPKGEEGEMELFVSTQNAMKTQSFVAKMLGVPV
NRILVRVKRMGGGFGGKETRSTLVSVAVALAAYKTGHPVRCMLDRNEDML
ITGGRHPFLARYKVGFMKTGTIVALEVDHYSNAGNSRDLSHSIMERALFH
MDNCYKIPNIRGTGRLCKTNLSSNTAFRGFGGPQALFIAENWMSEVAVTC
GLPAEEVRWKNMYKEGDLTHFNQRLEGFSVPRCWDECLKSSQYYARKSEV
DKFNKENCWKKRGLCIIPTKFGISFTVPFLNQAGALIHVYTDGSVLVSHG
GTEMGQGLHTKMVQVASKALKIPISKIYISETSTNTVPNSSPTAASVSTD
IYGQAVYEACQTILKRLEPFKKKNPDGSWEDWVMAAYQDRVSLSTTGFYR
TPNLGYSFETNSGNAFHYFTYGVACSEVEIDCLTGDHKNLRTDIVMDVGS
SLNPAIDIGQVEGAFVQGLGLFTLEELHYSPEGSLHTRGPSTYKIPAFGS
IPTEFRVSLLRDCPNKKAIYASKAVGEPPLFLGASVFFAIKDAIRAARAQ
HTNNNTKELFRLDSPATPEKIRNACVDKFTTLCVTGKPWSLRV

3D structure

• PDB: 3am9 FYX-051: A Novel and Potent Hybrid-Type Inhibitor of Xanthine Oxidoreductase
• Chain: A
• Resolution: 2.17 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Q767 E802 R880 H884 R912 G1260 E1261
• Catalytic site (residue number reindexed from 1): Q733 E768 R846 H850 R878 G1226 E1227
• Enzyme Commision number: 1.17.1.4: xanthine dehydrogenase.
  1.17.3.2: xanthine oxidase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	FES	A	C113 G114 C116 C148 C150 L744	C111 G112 C114 C146 C148 L710
BS02	FES	A	G42 C43 G44 G46 C48 G49 C51 C73	G40 C41 G42 G44 C46 G47 C49 C71
BS03	CA	A	A867 S870 R871 S874 S907 N908	A833 S836 R837 S840 S873 N874
BS04	FAD	A	E45 G46 K256 L257 V259 G260 N261 T262 E263 I264 F337 A338 V342 A346 S347 G350 N351 I353 T354 D360 L404 K422	E43 G44 K228 L229 V231 G232 N233 T234 E235 I236 F309 A310 V314 A318 S319 G322 N323 I325 T326 D332 L376 K394
BS05	BCT	A	R839 H840 T909 A910 F911 Q918	R805 H806 T875 A876 F877 Q884
BS06	FYO	A	L648 E802 L873 S876 R880 F914 F1009 L1014 A1079 E1261	L614 E768 L839 S842 R846 F880 F975 L980 A1045 E1227
BS07	CA	A	H741 Y743 T836 G837	H707 Y709 T802 G803

Gene Ontology

Molecular Function

• GO:0004854 xanthine dehydrogenase activity
• GO:0004855 xanthine oxidase activity
• GO:0005506 iron ion binding
• 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:0051536 iron-sulfur cluster binding
• GO:0051537 2 iron, 2 sulfur cluster binding
• GO:0071949 FAD binding

Biological Process

• GO:0009115 xanthine catabolic process

Cellular Component

• GO:0002197 xanthine dehydrogenase complex
• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0005737 cytoplasm
• GO:0005777 peroxisome

External links

• PDB: RCSB:3am9, PDBe:3am9, PDBj:3am9
• PDBsum: 3am9
• PubMed: 20952484
• UniProt: P80457|XDH_BOVIN Xanthine dehydrogenase/oxidase (Gene Name=XDH)