Structure of PDB 3kdz Chain B Binding Site BS01

Receptor Information
>3kdz Chain B (length=527) Species: 1908 (Streptomyces globisporus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPVSVDGETLTVEAVRRVAEERATVDVPAESIAKAQKSREIFEGIAEQNI
PIFGVTTGYGEMIYMQVDKSKEVELQTNLVRSHSAGVGPLFAEDEARAIV
AARLNTLAKGHSAVRPIILERLAQYLNEGITPAIPEIGSLGGDLAPLSHV
ASTLIGEGYVLRDGRPVETAQVLAERGIEPLELRFKEGLALINGTSGMTG
LGSLVVGRALEQAQQAEIVTALLIEAVRGSTSPFLAEGHDIARPHEGQID
TAANMRALMRGSGLTVEHADLRRELQKDKEAGKDVQRSEIYLQKAYSLRA
IPQVVGAVRDTLYHARHKLRIELNSANDNPLFFEGKEIFHGANFHGQPIA
FAMDFVTIALTQLGVLAERQINRVLNRHLSYGLPEFLVSGDPGLHSGFAG
AQYPATALVAENRTIGPASTQSVPSNGDNQDVVSMGLISARNARRVLSNN
NKILAVEYLAAAQAVDISGRFDGLSPAAKATYEAVRRLVPTLGVDRYMAD
DIELVADALSRGEFLRAIARETDIQLR
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain3kdz Chain A Residue 600 [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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PDB3kdz Probing the active site of MIO-dependent aminomutases, key catalysts in the biosynthesis of beta-amino acids incorporated in secondary metabolites
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y308 R311
Binding residue
(residue number reindexed from 1)		Y296 R299
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) F63 G70 H93 N205 Y308 R311 F356 Q442
Catalytic site (residue number reindexed from 1) F53 G60 H83 N193 Y296 R299 F344 Q430
Enzyme Commision number 4.3.1.23: tyrosine ammonia-lyase.
5.4.3.6: tyrosine 2,3-aminomutase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004397 histidine ammonia-lyase activity
GO:0016829 lyase activity
GO:0016841 ammonia-lyase activity
GO:0016853 isomerase activity
GO:0050368 L-tyrosine 2,3-aminomutase activity
GO:0052883 tyrosine ammonia-lyase activity
Biological Process
GO:0006548 L-histidine catabolic process
GO:0009403 toxin biosynthetic process
GO:0017000 antibiotic biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3kdz, PDBe:3kdz, PDBj:3kdz
PDBsum3kdz
PubMed20577998
UniProtQ8GMG0|TAM_STRGL MIO-dependent tyrosine 2,3-aminomutase

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