SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1c3r'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 11 HIS A 132
HIS A 170
ASP A 258
LEU A 265
TYR A 297
TSN  A 502 (-3.9A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.0A)
TSN  A 502 (-4.3A)
0.94A 1c3sA-1c3rA:
68.1
1c3sA-1c3rA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
10 / 11 PRO A  22
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
LEU A 265
TYR A 297
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.0A)
TSN  A 502 (-4.3A)
0.27A 1c3sA-1c3rA:
68.1
1c3sA-1c3rA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
8 / 11 TYR A  91
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
ASP A 258
TYR A 297
None
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.3A)
1.14A 1c3sA-1c3rA:
68.1
1c3sA-1c3rA:
100.00
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.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 7 ASP A 168
HIS A 131
GLY A 294
GLY A 293
ZN  A 501 ( 2.3A)
TSN  A 502 (-4.0A)
None
None
1.00A 1ekjE-1c3rA:
undetectable
1ekjF-1c3rA:
undetectable
1ekjE-1c3rA:
22.31
1ekjF-1c3rA:
22.31
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.
1FDU_D_ESTD352_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 6 SER A  49
GLY A   8
LEU A  32
TYR A  12
None
1.01A 1fduD-1c3rA:
4.5
1fduD-1c3rA:
24.43
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.
1J8U_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 7 VAL A 285
LEU A 239
LEU A 218
ALA A 371
None
0.89A 1j8uA-1c3rA:
0.0
1j8uA-1c3rA:
24.23
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 9 GLY A 140
PRO A  22
GLY A 295
GLY A 296
ASP A 258
TSN  A 502 ( 3.9A)
TSN  A 502 (-4.4A)
ZN  A 501 ( 4.1A)
None
ZN  A 501 ( 2.5A)
1.15A 1mxdA-1c3rA:
0.3
1mxdA-1c3rA:
22.58
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.
1Q97_B_ADNB486_1
(SR PROTEIN KINASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 4 VAL A 282
ALA A 278
LEU A 255
PHE A 279
None
1.17A 1q97B-1c3rA:
undetectable
1q97B-1c3rA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
9 / 12 HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.3A)
0.42A 1t69A-1c3rA:
44.6
1t69A-1c3rA:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
7 / 12 TYR A  91
HIS A 131
PHE A 141
ASP A 168
HIS A 170
ASP A 258
TYR A 297
None
TSN  A 502 (-4.0A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.3A)
1.06A 1t69A-1c3rA:
44.6
1t69A-1c3rA:
32.65
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.
1VIF_A_FOLA1_0
(DIHYDROFOLATE
REDUCTASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
3 / 3 GLN A 254
ILE A 165
TYR A 164
None
0.68A 1vifA-1c3rA:
undetectable
1vifA-1c3rA:
11.21
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.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
9 / 11 HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.49A 1zz1A-1c3rA:
41.7
1zz1A-1c3rA:
27.70
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.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
7 / 12 HIS A 131
HIS A 132
ASP A 168
HIS A 170
PHE A 198
ASP A 258
PHE A 200
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
None
1.46A 1zz1B-1c3rA:
42.1
1zz1C-1c3rA:
42.1
1zz1B-1c3rA:
27.70
1zz1C-1c3rA:
27.70
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.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
9 / 12 HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.45A 1zz1B-1c3rA:
42.1
1zz1C-1c3rA:
42.1
1zz1B-1c3rA:
27.70
1zz1C-1c3rA:
27.70
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.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 HIS A 131
HIS A 170
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
1.10A 1zz1B-1c3rA:
42.1
1zz1C-1c3rA:
42.1
1zz1B-1c3rA:
27.70
1zz1C-1c3rA:
27.70
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.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 HIS A 131
HIS A 132
GLY A 140
ASP A 168
GLY A 294
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.3A)
None
0.95A 1zz1C-1c3rA:
42.1
1zz1C-1c3rA:
27.70
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.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
9 / 12 HIS A 131
HIS A 132
GLY A 140
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.44A 1zz1C-1c3rA:
42.1
1zz1C-1c3rA:
27.70
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.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
8 / 9 HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.3A)
0.51A 1zz1D-1c3rA:
41.8
1zz1D-1c3rA:
27.70
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.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 7 ASP A 263
ARG A  27
ASP A 258
TYR A 297
None
None
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.3A)
1.10A 2e5dA-1c3rA:
0.2
2e5dB-1c3rA:
0.0
2e5dA-1c3rA:
21.85
2e5dB-1c3rA:
21.85
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 7 ASP A 258
TYR A 297
ASP A 263
ARG A  27
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.3A)
None
None
1.23A 2e5dA-1c3rA:
undetectable
2e5dB-1c3rA:
undetectable
2e5dA-1c3rA:
21.85
2e5dB-1c3rA:
21.85
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.
2HRC_A_CHDA701_0
(FERROCHELATASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 LEU A 330
LEU A 322
ILE A  25
LEU A 308
VAL A 318
None
1.06A 2hrcA-1c3rA:
undetectable
2hrcA-1c3rA:
23.80
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.
2HRC_B_CHDB1605_0
(FERROCHELATASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 LEU A 330
LEU A 322
ILE A  25
LEU A 308
VAL A 318
None
1.00A 2hrcB-1c3rA:
undetectable
2hrcB-1c3rA:
23.80
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 LEU A 260
ALA A 305
ASP A 263
ILE A 333
LEU A 330
None
1.14A 2jn3A-1c3rA:
0.0
2jn3A-1c3rA:
15.11
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 LEU A 167
LEU A 255
GLY A 256
LEU A 222
PHE A 268
None
1.10A 2oz7A-1c3rA:
undetectable
2oz7A-1c3rA:
20.87
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.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 PRO A 126
GLY A 294
GLY A 295
THR A 257
LEU A  31
None
None
ZN  A 501 ( 4.1A)
None
None
1.18A 2uvnA-1c3rA:
0.0
2uvnA-1c3rA:
21.29
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.
2XNR_A_ACTA1001_0
(NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
3)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
3 / 3 SER A  49
ARG A  50
GLN A 112
None
0.92A 2xnrA-1c3rA:
undetectable
2xnrA-1c3rA:
16.45
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 5 HIS A 131
HIS A 132
ASP A 168
HIS A 170
ASP A 258
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
0.31A 3c0zA-1c3rA:
39.0
3c0zA-1c3rA:
24.22
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 8 HIS A 131
ASP A 168
ASP A 258
GLY A 256
TSN  A 502 (-4.0A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 2.5A)
None
0.85A 3c0zB-1c3rA:
39.3
3c0zB-1c3rA:
24.22
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 8 HIS A 131
HIS A 132
ASP A 168
GLY A 294
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
ZN  A 501 ( 2.3A)
None
0.80A 3c0zB-1c3rA:
39.3
3c0zB-1c3rA:
24.22
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
8 / 8 HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
0.41A 3c0zB-1c3rA:
39.3
3c0zB-1c3rA:
24.22
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 8 PHE A 198
ASP A 258
PHE A 141
ASP A 168
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
0.84A 3c0zB-1c3rA:
39.3
3c0zB-1c3rA:
24.22
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 6 HIS A 131
HIS A 132
ASP A 168
HIS A 170
ASP A 258
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
0.28A 3c0zC-1c3rA:
39.1
3c0zC-1c3rA:
24.22
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.
3D2T_B_1FLB500_1
(TRANSTHYRETIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 6 ALA A  52
SER A 103
THR A 107
VAL A 111
None
1.05A 3d2tB-1c3rA:
undetectable
3d2tB-1c3rA:
16.71
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.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 LEU A 292
GLY A 129
ALA A 106
THR A 107
LEU A  57
None
1.02A 3dh0B-1c3rA:
3.3
3dh0B-1c3rA:
22.69
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.
3E22_B_LOCB700_2
(TUBULIN BETA-2B
CHAIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 11 LEU A 222
LEU A 235
ALA A 234
ALA A 274
LYS A 277
None
1.09A 3e22B-1c3rA:
4.0
3e22B-1c3rA:
20.04
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.
3E22_D_LOCD700_2
(TUBULIN BETA-2B
CHAIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 11 LEU A 222
LEU A 235
ALA A 234
ALA A 274
LYS A 277
None
1.09A 3e22D-1c3rA:
4.5
3e22D-1c3rA:
20.04
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.
3EM0_B_CHDB152_0
(ILEAL BILE
ACID-BINDING PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 8 ILE A  88
TYR A  17
PRO A  18
GLY A 140
None
None
None
TSN  A 502 ( 3.9A)
0.89A 3em0B-1c3rA:
0.0
3em0B-1c3rA:
14.81
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.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 LEU A 252
GLY A 129
GLY A 293
ILE A 114
SER A 109
None
1.00A 3nk7A-1c3rA:
undetectable
3nk7A-1c3rA:
21.78
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.
3NU5_B_478B401_2
(PROTEASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 LEU A  23
GLY A 140
ILE A  88
GLY A  90
PRO A  18
None
TSN  A 502 ( 3.9A)
None
None
None
1.10A 3nu5B-1c3rA:
undetectable
3nu5B-1c3rA:
14.25
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.
3S53_A_017A201_1
(PROTEASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 9 ASP A 168
ASP A 166
ILE A 165
ILE A 309
ILE A 281
ZN  A 501 ( 2.3A)
None
None
None
None
1.01A 3s53A-1c3rA:
undetectable
3s53A-1c3rA:
13.21
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.
3V81_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 8 LEU A 252
VAL A 185
VAL A 175
LEU A 154
None
1.11A 3v81C-1c3rA:
0.0
3v81C-1c3rA:
21.34
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.
4BBO_C_ACTC1113_0
(BLR5658 PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 4 ASN A 125
ALA A 127
GLY A 128
THR A 107
None
1.38A 4bboC-1c3rA:
0.0
4bboC-1c3rA:
17.51
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.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
7 / 10 HIS A 131
HIS A 132
ASP A 168
HIS A 170
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.27A 4bz6A-1c3rA:
42.8
4bz6A-1c3rA:
27.49
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
8 / 12 HIS A 131
HIS A 132
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.38A 4bz6A-1c3rA:
42.8
4bz6B-1c3rA:
42.9
4bz6A-1c3rA:
27.49
4bz6B-1c3rA:
27.49
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.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
9 / 12 HIS A 131
HIS A 132
GLY A 140
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.42A 4bz6C-1c3rA:
42.9
4bz6C-1c3rA:
27.49
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.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
7 / 10 HIS A 131
HIS A 132
ASP A 168
HIS A 170
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.29A 4bz6D-1c3rA:
43.1
4bz6D-1c3rA:
27.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 HIS A  21
PRO A  22
ASP A 258
GLY A 296
TYR A 297
None
TSN  A 502 (-4.4A)
ZN  A 501 ( 2.5A)
None
TSN  A 502 (-4.3A)
1.08A 4lxzA-1c3rA:
48.6
4lxzA-1c3rA:
34.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
11 / 12 HIS A  21
PRO A  22
HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
ASP A 258
GLY A 295
TYR A 297
None
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.36A 4lxzA-1c3rA:
48.6
4lxzA-1c3rA:
34.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 HIS A 131
HIS A 170
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
1.03A 4lxzA-1c3rA:
48.6
4lxzA-1c3rA:
34.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 11 HIS A  21
PRO A  22
ASP A 258
GLY A 296
TYR A 297
None
TSN  A 502 (-4.4A)
ZN  A 501 ( 2.5A)
None
TSN  A 502 (-4.3A)
1.06A 4lxzB-1c3rA:
48.6
4lxzB-1c3rA:
34.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
10 / 11 HIS A  21
PRO A  22
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
ASP A 258
GLY A 295
TYR A 297
None
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.34A 4lxzB-1c3rA:
48.6
4lxzB-1c3rA:
34.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 11 HIS A 131
HIS A 170
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
1.06A 4lxzB-1c3rA:
48.6
4lxzB-1c3rA:
34.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
11 / 12 PRO A  22
HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.38A 4lxzC-1c3rA:
48.4
4lxzC-1c3rA:
34.70
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 7 PHE A 198
HIS A 170
TYR A 297
ASN A  93
TSN  A 502 ( 3.9A)
ZN  A 501 ( 3.1A)
TSN  A 502 (-4.3A)
None
1.29A 4o7gA-1c3rA:
undetectable
4o7gB-1c3rA:
undetectable
4o7gA-1c3rA:
22.93
4o7gB-1c3rA:
22.93
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.
4O7G_B_ASCB304_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 6 PHE A 198
HIS A 170
TYR A 297
ASN A  93
TSN  A 502 ( 3.9A)
ZN  A 501 ( 3.1A)
TSN  A 502 (-4.3A)
None
1.31A 4o7gB-1c3rA:
undetectable
4o7gB-1c3rA:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
10 / 12 HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.39A 4qa0A-1c3rA:
45.7
4qa0A-1c3rA:
32.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 HIS A 132
HIS A 170
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-3.9A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
1.04A 4qa0A-1c3rA:
45.7
4qa0A-1c3rA:
32.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
8 / 12 TYR A  91
HIS A 131
PHE A 141
ASP A 168
HIS A 170
ASP A 258
GLY A 295
TYR A 297
None
TSN  A 502 (-4.0A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.84A 4qa0A-1c3rA:
45.7
4qa0A-1c3rA:
32.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
9 / 11 HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.41A 4qa0B-1c3rA:
45.6
4qa0B-1c3rA:
32.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 11 HIS A 132
HIS A 170
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-3.9A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
1.07A 4qa0B-1c3rA:
45.6
4qa0B-1c3rA:
32.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
8 / 11 TYR A  91
HIS A 131
PHE A 141
ASP A 168
HIS A 170
ASP A 258
GLY A 295
TYR A 297
None
TSN  A 502 (-4.0A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.87A 4qa0B-1c3rA:
45.6
4qa0B-1c3rA:
32.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 11 TYR A  91
PHE A 141
ASP A 258
GLY A 296
TYR A 297
None
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.5A)
None
TSN  A 502 (-4.3A)
1.36A 4qa0B-1c3rA:
45.6
4qa0B-1c3rA:
32.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 HIS A 131
HIS A 132
GLY A 140
ASP A 168
GLY A 294
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.3A)
None
0.96A 4qa2A-1c3rA:
44.7
4qa2A-1c3rA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
10 / 12 HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.33A 4qa2A-1c3rA:
44.7
4qa2A-1c3rA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 HIS A 132
HIS A 170
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-3.9A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
1.06A 4qa2A-1c3rA:
44.7
4qa2A-1c3rA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
10 / 12 TYR A  91
HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
ASP A 258
GLY A 295
TYR A 297
None
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.82A 4qa2A-1c3rA:
44.7
4qa2A-1c3rA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 HIS A 131
HIS A 132
GLY A 140
ASP A 168
GLY A 294
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.3A)
None
0.98A 4qa2B-1c3rA:
46.0
4qa2B-1c3rA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 HIS A 132
HIS A 170
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-3.9A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
1.06A 4qa2B-1c3rA:
46.0
4qa2B-1c3rA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
11 / 12 TYR A  91
HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
None
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.71A 4qa2B-1c3rA:
46.0
4qa2B-1c3rA:
32.41
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.
4R3A_A_RBFA402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 8 GLU A 207
ASN A 219
LEU A 188
VAL A 175
GLY A 215
None
1.19A 4r3aA-1c3rA:
undetectable
4r3aA-1c3rA:
21.67
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.
4R3A_A_RBFA402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 8 GLU A 207
ASN A 219
VAL A 175
GLY A 213
None
0.77A 4r3aA-1c3rA:
undetectable
4r3aA-1c3rA:
21.67
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.
4R82_A_ACTA205_0
(OXIDOREDUCTASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 5 SER A 314
GLY A 315
ARG A 316
GLU A  45
None
1.32A 4r82A-1c3rA:
0.0
4r82B-1c3rA:
0.0
4r82A-1c3rA:
18.45
4r82B-1c3rA:
18.45
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.
4RTB_A_SAMA501_0
(HYDG PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 LEU A 308
PHE A 275
LEU A 270
LEU A 226
ALA A 234
None
1.22A 4rtbA-1c3rA:
undetectable
4rtbA-1c3rA:
21.93
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.
4UBS_A_DIFA502_1
(PENTALENIC ACID
SYNTHASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 9 VAL A 175
LEU A  59
LEU A 252
THR A 110
ILE A 114
None
1.20A 4ubsA-1c3rA:
0.0
4ubsA-1c3rA:
22.35
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.
4WCX_C_SAMC503_0
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 GLU A 284
PHE A 275
LEU A 270
PRO A 259
LEU A 226
None
1.05A 4wcxC-1c3rA:
undetectable
4wcxC-1c3rA:
22.02
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.
4WCX_C_SAMC503_0
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 PHE A 275
LEU A 270
PRO A 259
LEU A 226
ALA A 234
None
1.12A 4wcxC-1c3rA:
undetectable
4wcxC-1c3rA:
22.02
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.
4XV2_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 4 GLY A 140
LEU A  69
PHE A 100
ILE A 144
TSN  A 502 ( 3.9A)
None
None
None
0.95A 4xv2A-1c3rA:
0.0
4xv2A-1c3rA:
22.60
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.
4YV5_A_SVRA205_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 6 LEU A   6
ASN A 125
PRO A 126
ARG A  33
None
1.29A 4yv5B-1c3rA:
0.0
4yv5B-1c3rA:
15.90
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.
4YV5_B_SVRB207_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 6 LEU A   6
ASN A 125
PRO A 126
ARG A  33
None
1.28A 4yv5A-1c3rA:
0.0
4yv5A-1c3rA:
15.90
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
11 / 12 PRO A  22
HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
LEU A 265
TYR A 297
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.0A)
TSN  A 502 (-4.3A)
0.45A 5eeiA-1c3rA:
40.7
5eeiA-1c3rA:
27.85
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
11 / 12 PRO A  22
HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
LEU A 265
TYR A 297
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.0A)
TSN  A 502 (-4.3A)
0.46A 5eeiB-1c3rA:
41.0
5eeiB-1c3rA:
27.85
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
11 / 12 HIS A  21
PRO A  22
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
None
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
0.60A 5eenA-1c3rA:
41.2
5eenA-1c3rA:
27.85
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
6 / 12 HIS A  21
PRO A  22
HIS A 170
ASP A 258
GLY A 296
TYR A 297
None
TSN  A 502 (-4.4A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
None
TSN  A 502 (-4.3A)
1.12A 5eenA-1c3rA:
41.2
5eenA-1c3rA:
27.85
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 HIS A 131
ASP A 168
HIS A 170
ASP A 258
GLY A 256
TSN  A 502 (-4.0A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
None
1.26A 5eenA-1c3rA:
41.2
5eenA-1c3rA:
27.85
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 HIS A 131
HIS A 170
ASP A 258
GLY A 295
TYR A 297
TSN  A 502 (-4.0A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
1.07A 5eenA-1c3rA:
41.2
5eenA-1c3rA:
27.85
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
11 / 12 HIS A  21
PRO A  22
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
LEU A 265
TYR A 297
None
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.0A)
TSN  A 502 (-4.3A)
0.63A 5eenB-1c3rA:
40.9
5eenB-1c3rA:
27.85
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.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
10 / 12 HIS A  21
PRO A  22
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
TYR A 297
None
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.3A)
0.58A 5ef8A-1c3rA:
41.0
5ef8A-1c3rA:
27.85
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.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
10 / 12 PRO A  22
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
LEU A 265
TYR A 297
TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.0A)
TSN  A 502 (-4.3A)
0.47A 5ef8B-1c3rA:
41.3
5ef8B-1c3rA:
27.85
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.
5JQB_B_IBPB706_1
(ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN 1
ENVELOPE
GLYCOPROTEIN 2)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 8 ALA A  37
LEU A 322
LEU A 351
LEU A  30
LEU A 330
None
1.35A 5jqbA-1c3rA:
0.0
5jqbB-1c3rA:
undetectable
5jqbA-1c3rA:
21.52
5jqbB-1c3rA:
17.19
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.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 4 ASP A 173
HIS A 132
HIS A 131
HIS A 171
None
TSN  A 502 (-3.9A)
TSN  A 502 (-4.0A)
None
1.47A 5ncdD-1c3rA:
undetectable
5ncdD-1c3rA:
21.62
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 7 VAL A   4
TYR A 291
GLU A 288
LEU A 276
None
1.08A 5umwB-1c3rA:
0.0
5umwE-1c3rA:
0.0
5umwB-1c3rA:
11.27
5umwE-1c3rA:
11.27
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.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 7 LEU A 276
VAL A   4
TYR A 291
GLU A 288
None
1.02A 5umwA-1c3rA:
0.0
5umwF-1c3rA:
0.0
5umwA-1c3rA:
11.27
5umwF-1c3rA:
11.27
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.
5UUN_B_ACTB307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
3 / 3 LEU A 329
ALA A 326
LEU A  30
None
0.53A 5uunB-1c3rA:
0.0
5uunB-1c3rA:
22.90
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.
5VEU_A_RITA602_2
(CYTOCHROME P450 3A5)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
3 / 3 ARG A 316
PHE A 275
LEU A 351
None
0.86A 5veuA-1c3rA:
0.0
5veuA-1c3rA:
21.43
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
4 / 8 GLY A 174
ASP A 166
ASP A 168
HIS A 191
None
None
ZN  A 501 ( 2.3A)
None
0.79A 6ag0A-1c3rA:
undetectable
6ag0A-1c3rA:
12.27
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus)
5 / 12 ALA A 169
LEU A 167
PHE A 286
LEU A 222
ALA A 234
ZN  A 501 ( 4.9A)
None
None
None
None
1.11A 6djzC-1c3rA:
0.0
6djzC-1c3rA:
20.59