SIMILAR PATTERNS OF AMINO ACIDS FOR 1C3S_A_SHHA952_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		10 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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		8 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.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		5 PRO A 172
TYR A 169
ASP A 146
LEU A 142
TYR A 147
 None
 1.34A 1c3sA-1dctA:
2.4		 1c3sA-1dctA:
22.83
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.
1mi1 NEUROBEACHIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		5 PRO A2311
TYR A2429
PHE A2330
ASP A2332
LEU A2333
 None
 1.46A 1c3sA-1mi1A:
undetectable		 1c3sA-1mi1A:
22.03
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.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

(Saccharomyces
cerevisiae) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PRO A 414
HIS A  81
HIS A 126
HIS A  83
ASP A 458
 None
CU1  A1004 (-3.3A)
CU1  A1003 (-3.2A)
CU1  A1003 ( 3.0A)
None
 1.45A 1c3sA-1zpuA:
undetectable		 1c3sA-1zpuA:
21.36
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.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		9 HIS A 142
HIS A 143
PHE A 152
ASP A 180
HIS A 182
PHE A 208
ASP A 268
LEU A 275
TYR A 312
 3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
3YP  A1452 (-3.8A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
3YP  A1452 (-3.6A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 4.6A)
3YP  A1452 (-4.6A)
 0.55A 1c3sA-1zz3A:
42.3		 1c3sA-1zz3A:
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.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		5 HIS A 143
HIS A 182
ASP A 268
LEU A 275
TYR A 312
 3YP  A1452 (-3.4A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 4.6A)
3YP  A1452 (-4.6A)
 1.11A 1c3sA-1zz3A:
42.3		 1c3sA-1zz3A:
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		5 TYR A 517
HIS A 391
HIS A 659
ASP A 736
ASP A 737
 None
ZN  A 840 ( 3.2A)
ZN  A 840 ( 3.1A)
CF5  A 841 ( 2.5A)
CF5  A 841 (-2.5A)
 1.20A 1c3sA-2a3lA:
undetectable		 1c3sA-2a3lA:
20.17
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.
2hzh LACCASE

(Trametes
ochracea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PRO A 396
HIS A  64
HIS A 109
HIS A  66
ASP A 424
 None
CU  A 604 ( 3.1A)
CU  A 603 (-3.4A)
CU  A 603 ( 3.1A)
None
 1.44A 1c3sA-2hzhA:
undetectable		 1c3sA-2hzhA:
19.38
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.
2rv3 ZINC FINGER PROTEIN
ZFAT

(Homo sapiens) 		PF12874
(zf-met) 		5 HIS A  32
HIS A  28
PHE A  19
ASP A  13
LEU A  11
 ZN  A 101 (-3.1A)
ZN  A 101 (-3.1A)
None
None
None
 1.44A 1c3sA-2rv3A:
undetectable		 1c3sA-2rv3A:
7.30
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.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 HIS A  54
HIS A  56
PHE A  57
ASP A 144
LEU A  11
 ZN  A 209 (-3.3A)
ZN  A 209 (-3.2A)
None
ZN  A 208 ( 2.5A)
None
 1.23A 1c3sA-2zwrA:
undetectable		 1c3sA-2zwrA:
20.00
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.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 PRO A 108
HIS A 160
HIS A 161
ASP A 221
ASP A  82
 None
 1.25A 1c3sA-2zxoA:
undetectable		 1c3sA-2zxoA:
22.27
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 PRO A 542
HIS A 669
HIS A 670
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
LEU A 810
 TSN  A 301 ( 4.5A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 (-4.2A)
 0.76A 1c3sA-3c10A:
39.2		 1c3sA-3c10A:
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.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 PRO A 295
HIS A 322
PHE A 325
ASP A 300
LEU A 297
 None
 1.36A 1c3sA-3eb0A:
undetectable		 1c3sA-3eb0A:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 146
HIS A 183
ASP A 269
LEU A 276
TYR A 308
 LLX  A 400 (-3.8A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.3A)
LLX  A 400 (-4.4A)
 0.98A 1c3sA-3maxA:
48.5		 1c3sA-3maxA:
34.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		10 PRO A  34
HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
LEU A 276
TYR A 308
 None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.3A)
LLX  A 400 (-4.4A)
 0.50A 1c3sA-3maxA:
48.5		 1c3sA-3maxA:
34.62
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		7 HIS A 156
HIS A 157
PHE A 166
ASP A 192
HIS A 194
ASP A 281
TYR A 320
 SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
 0.38A 1c3sA-3menA:
36.9		 1c3sA-3menA:
26.04
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.34A 1c3sA-3paoA:
undetectable		 1c3sA-3paoA:
20.79
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		6 HIS A 158
ASP A 195
HIS A 197
PHE A 225
ASP A 284
TYR A 323
 Q9C  A 401 (-4.2A)
ZN  A 343 (-2.3A)
ZN  A 343 (-3.4A)
Q9C  A 401 (-3.8A)
ZN  A 343 (-2.7A)
None
 0.44A 1c3sA-3q9cA:
36.9		 1c3sA-3q9cA:
27.16
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.31A 1c3sA-3rysA:
undetectable		 1c3sA-3rysA:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 135
HIS A 172
ASP A 259
LEU A 266
TYR A 298
 ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
 1.02A 1c3sA-4a69A:
47.6		 1c3sA-4a69A:
34.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		10 PRO A  23
HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
LEU A 266
TYR A 298
 None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
 0.44A 1c3sA-4a69A:
47.6		 1c3sA-4a69A:
34.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 TYR A 146
HIS A 134
HIS A 172
ASP A 259
TYR A 298
 None
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
 1.38A 1c3sA-4a69A:
47.6		 1c3sA-4a69A:
34.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS B 141
HIS B 178
ASP B 264
LEU B 271
TYR B 303
 ACT  B 601 (-3.8A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
 0.90A 1c3sA-4bkxB:
47.3		 1c3sA-4bkxB:
32.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		10 PRO B  29
HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
LEU B 271
TYR B 303
 None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
 0.48A 1c3sA-4bkxB:
47.3		 1c3sA-4bkxB:
32.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PRO B  29
HIS B 140
HIS B 178
ASP B 264
TYR B 303
 None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
 1.27A 1c3sA-4bkxB:
47.3		 1c3sA-4bkxB:
32.93
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		8 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.34A 1c3sA-4bz7A:
42.8		 1c3sA-4bz7A:
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 PRO A 676
HIS A 802
HIS A 803
ASP A 840
HIS A 842
PHE A 871
ASP A 934
LEU A 943
 None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
None
 0.68A 1c3sA-4cbyA:
39.8		 1c3sA-4cbyA:
27.75
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 PRO A 676
HIS A 802
HIS A 803
PHE A 812
ASP A 840
HIS A 842
PHE A 871
ASP A 934
 None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
 0.62A 1c3sA-4cbyA:
39.8		 1c3sA-4cbyA:
27.75
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.
4dvh SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 HIS A 167
HIS A  28
PHE A  20
PHE A  83
TYR A 180
 FE  A 301 (-3.3A)
FE  A 301 (-3.3A)
None
None
None
 1.39A 1c3sA-4dvhA:
undetectable		 1c3sA-4dvhA:
18.42
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.
4h3e SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 HIS A 198
HIS A  59
PHE A  51
PHE A 114
TYR A 211
 FE2  A 301 (-3.3A)
FE2  A 301 (-3.4A)
None
None
None
 1.41A 1c3sA-4h3eA:
undetectable		 1c3sA-4h3eA:
21.04
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.
4kam O-ACETYLHOMOSERINE
SULFHYDRYLASE METC

(Mycobacterium
marinum) 		PF01053
(Cys_Met_Meta_PP) 		5 HIS A 376
PHE A 367
HIS A 374
ASP A 428
LEU A 429
 None
 1.19A 1c3sA-4kamA:
3.2		 1c3sA-4kamA:
23.71
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.
4lyp EXO-BETA-1,4-MANNOSI
DASE

(Rhizomucor
miehei) 		no annotation 5 PRO A 203
TYR A 156
PHE A 211
HIS A 244
LEU A 231
 None
 1.44A 1c3sA-4lypA:
3.1		 1c3sA-4lypA:
22.01
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.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		5 HIS A 210
ASP A 214
PHE A 182
ASP A 235
LEU A 234
 None
CA  A 401 (-2.7A)
None
CA  A 401 (-2.2A)
None
 1.39A 1c3sA-4o6mA:
undetectable		 1c3sA-4o6mA:
22.95
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.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		5 HIS A 360
HIS A 329
ASP A 283
HIS A 362
TYR A 270
 None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
None
 1.23A 1c3sA-4qpbA:
undetectable		 1c3sA-4qpbA:
15.86
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.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		5 PRO A 187
PHE A 189
HIS A 173
PHE A 220
TYR A 224
 None
None
ZN  A 301 (-3.3A)
None
None
 1.39A 1c3sA-4wcjA:
undetectable		 1c3sA-4wcjA:
20.73
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 PRO C 276
HIS C 102
PHE C 262
ASP C 103
LEU C 271
 None
None
None
BSU  C 401 (-2.8A)
None
 1.48A 1c3sA-5cw2C:
undetectable		 1c3sA-5cw2C:
19.64
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 HIS B 611
HIS B 651
ASP B 742
LEU B 749
TYR B 782
 TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
 0.89A 1c3sA-5eduB:
41.2		 1c3sA-5eduB:
18.02
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 10 PRO B 501
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782
 TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
 0.60A 1c3sA-5eduB:
41.2		 1c3sA-5eduB:
18.02
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		8 PRO A  83
HIS A 192
HIS A 193
PHE A 202
ASP A 230
HIS A 232
ASP A 323
TYR A 363
 None
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 (-4.3A)
 0.45A 1c3sA-5eefA:
41.3		 1c3sA-5eefA:
27.66
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.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 5 HIS B 573
HIS B 614
ASP B 705
LEU B 712
TYR B 745
 None
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
None
None
 1.20A 1c3sA-5efnB:
41.1		 1c3sA-5efnB:
27.59
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.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 9 PRO B 464
HIS B 573
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
LEU B 712
TYR B 745
 None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
None
None
 0.55A 1c3sA-5efnB:
41.1		 1c3sA-5efnB:
27.59
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.
5ehf LACCASE

(Antrodiella
faginea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PRO A 396
HIS A  64
HIS A 109
HIS A  66
ASP A 424
 None
CU  A 509 (-3.2A)
CU  A 508 (-3.3A)
CU  A 508 ( 3.1A)
None
 1.46A 1c3sA-5ehfA:
undetectable		 1c3sA-5ehfA:
21.14
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		5 PRO A 731
PHE A 868
ASP A 900
LEU A 854
TYR A 851
 None
 1.45A 1c3sA-5f7uA:
undetectable		 1c3sA-5f7uA:
16.73
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		10 PRO A 464
HIS A 573
HIS A 574
PHE A 583
ASP A 612
HIS A 614
PHE A 643
ASP A 705
LEU A 712
TYR A 745
 None
E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
E1Z  A1801 (-3.9A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
None
E1Z  A1801 (-4.4A)
 0.49A 1c3sA-5g0hA:
41.0		 1c3sA-5g0hA:
17.46
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 PRO A 464
HIS A 574
HIS A 614
ASP A 705
LEU A 712
TYR A 745
 None
E1Z  A1801 (-3.8A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
None
E1Z  A1801 (-4.4A)
 0.90A 1c3sA-5g0hA:
41.0		 1c3sA-5g0hA:
17.46
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		9 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
LEU A 276
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 0.47A 1c3sA-5g10A:
41.4		 1c3sA-5g10A:
26.92
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		5 PRO A 210
PHE A 209
ASP A 269
PHE A 153
ASP A 181
 None
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
 1.30A 1c3sA-5g10A:
41.4		 1c3sA-5g10A:
26.92
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.
5h12 DEEP VENT DNA
POLYMERASE

(Pyrococcus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 PHE A 140
ASP A 259
HIS A 257
ASP A 212
LEU A 216
 None
 1.50A 1c3sA-5h12A:
undetectable		 1c3sA-5h12A:
18.98
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.
5h6b PUTATIVE SECRETED
LIPASE

(Streptomyces
sp. W007) 		PF01674
(Lipase_2) 		5 PRO A 115
ASP A  92
ASP A  88
LEU A  87
TYR A 118
 None
ZN  A 304 (-3.3A)
ZN  A 304 (-2.7A)
None
None
 1.43A 1c3sA-5h6bA:
2.4		 1c3sA-5h6bA:
22.37
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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 HIS A 126
HIS A 165
ASP A 244
LEU A 251
TYR A 288
 EDO  A 403 (-4.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
None
 0.94A 1c3sA-5ji5A:
37.2		 1c3sA-5ji5A:
25.89
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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		9 PRO A  21
HIS A 125
HIS A 126
PHE A 135
ASP A 163
HIS A 165
ASP A 244
LEU A 251
TYR A 288
 None
None
EDO  A 403 (-4.2A)
EDO  A 403 ( 3.8A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
None
 0.49A 1c3sA-5ji5A:
37.2		 1c3sA-5ji5A:
25.89
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PRO A 449
HIS A 108
HIS A 152
HIS A 110
ASP A 483
 None
CU  A 603 ( 3.1A)
CU  A 601 ( 3.2A)
CU  A 601 (-2.9A)
None
 1.49A 1c3sA-5lm8A:
undetectable		 1c3sA-5lm8A:
22.05
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 5 PRO B 343
ASP B 289
HIS B 287
PHE B 276
ASP B 338
 None
 1.47A 1c3sA-5swiB:
undetectable		 1c3sA-5swiB:
19.22
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 136
HIS A 137
PHE A 146
ASP A 174
HIS A 176
ASP A 267
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
FKS  A 711 (-3.9A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
 0.36A 1c3sA-5td7A:
41.3		 1c3sA-5td7A:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
TYR A 306
 None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.3A)
 0.38A 1c3sA-5vi6A:
44.8		 1c3sA-5vi6A:
32.30
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.
6ez8 FACTOR VIII INTRON
22 PROTEIN
HUNTINGTIN

(Homo sapiens) 		no annotation 5 PRO B 282
HIS A2909
PHE A2965
ASP B 196
LEU B 201
 None
 1.43A 1c3sA-6ez8B:
undetectable		 1c3sA-6ez8B:
11.96