Structure of PDB 3kum Chain G Binding Site BS02
Receptor Information
>3kum Chain G (length=354) Species:
226185
(Enterococcus faecalis V583) [
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MKIKQVHVRASKIKLKETFTIALGTIESADSAIVEIETEEGLVGYGEGGP
GIFITGETLAGTLETIELFGQAIIGLNPFNIEKIHEVMDKISAFAPAAKA
AIDIACYDLMGQKAQLPLYQLLGGYDNQVITDITLGIDEPNVMAQKAVEK
VKLGFDTLKIKVGTGIEADIARVKAIREAVGFDIKLRLDANQAWTPKDAV
KAIQALADYQIELVEQPVKRRDLEGLKYVTSQVNTTIMADESCFDAQDAL
ELVKKGTVDVINIKLMKCGGIHEALKINQICETAGIECMIGCMAEETTIG
ITAAAHLAAAQKNITRADLDATFGLETAPVTGGVSLEAKPLLELGEAAGL
GISH
Ligand information
Ligand ID
TYR
InChI
InChI=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
InChIKey
OUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0
c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0
c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341
N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341
N[C@@H](Cc1ccc(O)cc1)C(O)=O
Formula
C9 H11 N O3
Name
TYROSINE
ChEMBL
CHEMBL925
DrugBank
DB00135
ZINC
ZINC000000266964
PDB chain
3kum Chain G Residue 356 [
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Receptor-Ligand Complex Structure
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PDB
3kum
Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
I21 F53 K161 D240 K264 A294 E295
Binding residue
(residue number reindexed from 1)
I21 F53 K161 D240 K264 A294 E295
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
F19 P50 F53 T134 K159 K161 D189 N191 E215 D240 E241 S242 N262 K264 G291 C292 M293 A317 D318 L319
Catalytic site (residue number reindexed from 1)
F19 P50 F53 T134 K159 K161 D189 N191 E215 D240 E241 S242 N262 K264 G291 C292 M293 A317 D318 L319
Enzyme Commision number
5.1.1.-
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0016853
isomerase activity
GO:0016854
racemase and epimerase activity
GO:0016855
racemase and epimerase activity, acting on amino acids and derivatives
GO:0046872
metal ion binding
Biological Process
GO:0006518
peptide metabolic process
GO:0009063
amino acid catabolic process
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:3kum
,
PDBe:3kum
,
PDBj:3kum
PDBsum
3kum
PubMed
22392983
UniProt
Q834W6
|HYEP_ENTFA Hydrophobic dipeptide epimerase (Gene Name=EF_1511)
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