SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'HIO'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4I_A_KANA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE
(Spinacia
oleracea) 		4 / 8 GLY I 255
SER I 518
ASP I 202
THR I 520
 NDP  I 600 (-3.9A)
HIO  I 603 ( 2.6A)
NDP  I 600 (-2.8A)
None
 0.86A 1m4iA-1yveI:
undetectable		 1m4iA-1yveI:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MT1_A_AG2A7005_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE
(Spinacia
oleracea) 		4 / 6 LEU I 323
LEU I 479
ILE I 490
GLU I 496
 HIO  I 603 ( 4.4A)
None
None
HIO  I 603 (-2.8A)
 1.04A 1mt1A-1yveI:
undetectable
1mt1F-1yveI:
undetectable		 1mt1A-1yveI:
7.07
1mt1F-1yveI:
12.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MT1_B_AG2B7001_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE
(Spinacia
oleracea) 		4 / 6 ILE I 490
GLU I 496
LEU I 323
LEU I 479
 None
HIO  I 603 (-2.8A)
HIO  I 603 ( 4.4A)
None
 0.89A 1mt1B-1yveI:
undetectable
1mt1C-1yveI:
undetectable		 1mt1B-1yveI:
12.60
1mt1C-1yveI:
7.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE
(Spinacia
oleracea) 		4 / 7 LEU I 323
LEU I 479
ILE I 490
GLU I 496
 HIO  I 603 ( 4.4A)
None
None
HIO  I 603 (-2.8A)
 1.06A 1n13I-1yveI:
undetectable
1n13L-1yveI:
undetectable		 1n13I-1yveI:
7.07
1n13L-1yveI:
12.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE
(Spinacia
oleracea) 		4 / 7 LEU I 323
LEU I 479
ILE I 490
GLU I 496
 HIO  I 603 ( 4.4A)
None
None
HIO  I 603 (-2.8A)
 1.01A 2qqdA-1yveI:
undetectable
2qqdE-1yveI:
undetectable		 2qqdA-1yveI:
10.66
2qqdE-1yveI:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE
(Spinacia
oleracea) 		3 / 3 THR I 520
ASP I 315
GLU I 496
 None
MG  I 602 (-2.7A)
HIO  I 603 (-2.8A)
 0.81A 3qowA-1yveI:
3.3		 3qowA-1yveI:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE
(Spinacia
oleracea) 		5 / 12 HIS I 226
GLY I 227
ASP I 202
ARG I 526
ALA I 521
 NDP  I 600 (-3.9A)
None
NDP  I 600 (-2.8A)
None
HIO  I 603 (-3.4A)
 1.05A 3sueB-1yveI:
undetectable		 3sueB-1yveI:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TVT_A_ASCA303_0
(THAUMATIN-1)		 1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE
(Spinacia
oleracea) 		4 / 7 LEU I 501
GLU I 496
SER I 500
VAL I 258
 HIO  I 603 (-4.6A)
HIO  I 603 (-2.8A)
None
None
 1.15A 4tvtA-1yveI:
undetectable		 4tvtA-1yveI:
18.62