SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ACE'


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.
1EE2_B_CHDB1250_0
(ALCOHOL
DEHYDROGENASE)
1hle HORSE LEUKOCYTE
ELASTASE INHIBITOR

(Equus
caballus)
3 / 3 MET A  23
LEU A  26
SER A  27
ACE  A  22 ( 4.2A)
None
None
0.54A 1ee2A-1hleA:
undetectable
1ee2A-1hleA:
23.53
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.
1ICR_A_NIOA604_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 5 SER A 410
THR A 268
PHE A 408
GLY A 404
None
None
None
ACE  A 633 (-3.1A)
1.14A 1icrA-1tqyA:
undetectable
1icrB-1tqyA:
undetectable
1icrA-1tqyA:
20.53
1icrB-1tqyA:
20.53
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.
1ICR_B_NIOB602_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 5 GLY A 404
SER A 410
THR A 268
PHE A 408
ACE  A 633 (-3.1A)
None
None
None
1.17A 1icrA-1tqyA:
undetectable
1icrB-1tqyA:
undetectable
1icrA-1tqyA:
20.53
1icrB-1tqyA:
20.53
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.
1ICU_A_NIOA221_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 6 SER A 410
THR A 268
PHE A 408
GLY A 404
None
None
None
ACE  A 633 (-3.1A)
1.11A 1icuA-1tqyA:
undetectable
1icuB-1tqyA:
undetectable
1icuA-1tqyA:
20.53
1icuB-1tqyA:
20.53
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.
1ICU_B_NIOB219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 6 GLY A 404
SER A 410
THR A 268
PHE A 408
ACE  A 633 (-3.1A)
None
None
None
1.11A 1icuA-1tqyA:
undetectable
1icuB-1tqyA:
undetectable
1icuA-1tqyA:
20.53
1icuB-1tqyA:
20.53
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.
1ICU_C_NIOC225_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 6 SER A 410
THR A 268
PHE A 408
GLY A 404
None
None
None
ACE  A 633 (-3.1A)
1.14A 1icuC-1tqyA:
undetectable
1icuD-1tqyA:
undetectable
1icuC-1tqyA:
20.53
1icuD-1tqyA:
20.53
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.
1ICU_D_NIOD223_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 5 GLY A 404
SER A 410
THR A 268
PHE A 408
ACE  A 633 (-3.1A)
None
None
None
1.14A 1icuC-1tqyA:
undetectable
1icuD-1tqyA:
undetectable
1icuC-1tqyA:
20.53
1icuD-1tqyA:
20.53
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.
1ICV_B_NIOB702_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 5 GLY A 404
SER A 410
THR A 268
PHE A 408
ACE  A 633 (-3.1A)
None
None
None
1.13A 1icvA-1tqyA:
undetectable
1icvB-1tqyA:
undetectable
1icvA-1tqyA:
20.53
1icvB-1tqyA:
20.53
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.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 5 SER A 410
THR A 268
PHE A 408
GLY A 404
None
None
None
ACE  A 633 (-3.1A)
1.17A 1icvC-1tqyA:
undetectable
1icvD-1tqyA:
undetectable
1icvC-1tqyA:
20.53
1icvD-1tqyA:
20.53
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.
1ICV_D_NIOD706_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 5 GLY A 404
SER A 410
THR A 268
PHE A 408
ACE  A 633 (-3.1A)
None
None
None
1.19A 1icvC-1tqyA:
undetectable
1icvD-1tqyA:
undetectable
1icvC-1tqyA:
20.53
1icvD-1tqyA:
20.53
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.
1KQB_A_BEZA524_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 6 SER A 410
THR A 268
PHE A 408
GLY A 404
None
None
None
ACE  A 633 (-3.1A)
1.11A 1kqbA-1tqyA:
undetectable
1kqbB-1tqyA:
undetectable
1kqbA-1tqyA:
19.72
1kqbB-1tqyA:
19.72
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.
1KQB_B_BEZB525_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 5 GLY A 404
SER A 410
THR A 268
PHE A 408
ACE  A 633 (-3.1A)
None
None
None
1.08A 1kqbA-1tqyA:
undetectable
1kqbB-1tqyA:
undetectable
1kqbA-1tqyA:
19.72
1kqbB-1tqyA:
19.72
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.
1KQB_C_BEZC522_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 6 SER A 410
THR A 268
PHE A 408
GLY A 404
None
None
None
ACE  A 633 (-3.1A)
1.09A 1kqbC-1tqyA:
undetectable
1kqbD-1tqyA:
undetectable
1kqbC-1tqyA:
19.72
1kqbD-1tqyA:
19.72
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.
1KQB_D_BEZD523_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
4 / 6 GLY A 404
SER A 410
THR A 268
PHE A 408
ACE  A 633 (-3.1A)
None
None
None
1.12A 1kqbC-1tqyA:
undetectable
1kqbD-1tqyA:
undetectable
1kqbC-1tqyA:
19.72
1kqbD-1tqyA:
19.72
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.
1QCA_A_FUAA221_1
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)
2xpi ANAPHASE-PROMOTING
COMPLEX SUBUNIT CUT9

(Schizosaccharomy
ces
pombe)
4 / 7 THR A 440
PHE A 437
PHE A 446
LEU A 344
None
None
None
ACE  B   1 ( 4.0A)
0.98A 1qcaA-2xpiA:
undetectable
1qcaA-2xpiA:
15.03
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.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)
1ewx TRYPAREDOXIN I
(Crithidia
fasciculata)
4 / 8 PHE A  33
LEU A   8
GLY A   3
ASP A   5
None
None
ACE  A   1 (-4.2A)
None
0.96A 1rmtC-1ewxA:
undetectable
1rmtC-1ewxA:
23.72
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.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor)
5 / 12 TRP B 135
GLY A 168
PHE A 405
VAL A 108
ALA A 109
None
ACE  A 633 ( 4.3A)
ACE  A 633 (-3.7A)
None
None
1.30A 2kceA-1tqyB:
undetectable
2kceA-1tqyB:
19.66
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.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor)
5 / 12 TRP B 135
GLY A 168
PHE A 405
VAL A 108
ALA A 109
None
ACE  A 633 ( 4.3A)
ACE  A 633 (-3.7A)
None
None
1.15A 2kceB-1tqyB:
undetectable
2kceB-1tqyB:
19.66
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.
2YVL_C_SAMC604_1
(HYPOTHETICAL PROTEIN)
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus)
4 / 4 GLY A 141
GLU A 144
ASP A 146
TYR A 213
ACE  A 368 (-3.3A)
ACE  A 368 (-3.1A)
None
None
1.03A 2yvlC-3h4xA:
undetectable
2yvlC-3h4xA:
20.23
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.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp.
R1128)
5 / 12 LEU A 322
TYR A 324
ALA A 122
GLY A 317
GLY A 319
None
None
None
None
ACE  A 502 ( 3.9A)
1.18A 3ou7A-1mzjA:
undetectable
3ou7A-1mzjA:
23.15
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.
3OU7_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp.
R1128)
5 / 12 LEU A 322
TYR A 324
ALA A 122
GLY A 317
GLY A 319
None
None
None
None
ACE  A 502 ( 3.9A)
1.17A 3ou7D-1mzjA:
undetectable
3ou7D-1mzjA:
23.15
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.
3Q5S_A_ACHA1289_0
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)
1mdc INSECT FATTY ACID
BINDING PROTEIN

(Manduca
sexta)
4 / 6 VAL A  85
ASN A  88
TYR A   2
TYR A  48
None
None
ACE  A   0 ( 4.6A)
None
1.17A 3q5sA-1mdcA:
0.0
3q5sA-1mdcA:
19.86
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.
3TJ7_A_ACTA609_0
(GBAA_1210 PROTEIN)
4kbx UNCHARACTERIZED
PROTEIN YHFX

(Escherichia
coli)
3 / 3 LYS A   1
VAL A   3
HIS A 306
ACE  A   0 ( 3.0A)
ACE  A   0 ( 3.9A)
ACE  A   0 ( 4.0A)
1.23A 3tj7A-4kbxA:
undetectable
3tj7A-4kbxA:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
7 / 12 CYH A 169
PHE A 208
HIS A 309
HIS A 346
LEU A 348
GLY A 404
PHE A 405
ACE  A 633 (-1.5A)
None
None
None
ACE  A 633 ( 4.9A)
ACE  A 633 (-3.1A)
ACE  A 633 (-3.7A)
0.49A 4ls7A-1tqyA:
65.1
4ls7A-1tqyA:
39.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
7 / 12 CYH A 169
PHE A 208
HIS A 309
HIS A 346
LEU A 348
GLY A 404
PHE A 405
ACE  A 633 (-1.5A)
None
None
None
ACE  A 633 ( 4.9A)
ACE  A 633 (-3.1A)
ACE  A 633 (-3.7A)
0.52A 4ls7A-1tqyA:
65.1
4ls7B-1tqyA:
64.8
4ls7A-1tqyA:
39.23
4ls7B-1tqyA:
39.23
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.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)
2pal PARVALBUMIN
(Esox
lucius)
4 / 6 ILE A  50
ILE A 106
PHE A  70
LEU A   6
None
None
None
ACE  A   0 ( 3.5A)
0.92A 4m51A-2palA:
undetectable
4m51A-2palA:
15.27
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
5 / 12 GLY A 406
GLY A 404
THR A 214
LEU A 348
GLY A 168
None
ACE  A 633 (-3.1A)
None
ACE  A 633 ( 4.9A)
ACE  A 633 ( 4.3A)
0.92A 4o33A-1tqyA:
undetectable
4o33A-1tqyA:
22.48
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor)
5 / 12 GLY A 406
GLY A 404
THR A 214
LEU A 348
GLY A 168
None
ACE  A 633 (-3.1A)
None
ACE  A 633 ( 4.9A)
ACE  A 633 ( 4.3A)
0.89A 4o3fA-1tqyA:
undetectable
4o3fA-1tqyA:
23.22
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.
5BW4_B_SAMB301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor;
Streptomyces
coelicolor)
5 / 12 GLY A 406
GLY A 404
ALA A 272
ILE B 146
ALA A 107
None
ACE  A 633 (-3.1A)
None
None
None
0.93A 5bw4B-1tqyA:
undetectable
5bw4B-1tqyA:
21.55
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.
5JMN_B_FUAB1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)
4kbx UNCHARACTERIZED
PROTEIN YHFX

(Escherichia
coli)
4 / 5 ILE A 317
LEU A 336
HIS A 306
VAL A   3
LLP  A   7 (-3.5A)
None
ACE  A   0 ( 4.0A)
ACE  A   0 ( 3.9A)
1.15A 5jmnB-4kbxA:
undetectable
5jmnB-4kbxA:
17.86