SIMILAR PATTERNS OF AMINO ACIDS FOR 1T69_A_SHHA379_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) 		9 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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		7 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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 ASP A  79
HIS A  59
HIS A  54
ASP A  58
HIS A  56
 None
ZN  A 262 ( 3.3A)
ZN  A 261 ( 3.4A)
ZN  A 262 (-2.7A)
ZN  A 261 ( 3.3A)
 1.41A 1t69A-1qh5A:
undetectable		 1t69A-1qh5A:
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.
1qwy PEPTIDOGLYCAN
HYDROLASE

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 291
HIS A 260
ASP A 214
HIS A 293
TYR A 204
 None
None
ZN  A 400 (-2.2A)
ZN  A 400 (-3.1A)
None
 1.28A 1t69A-1qwyA:
undetectable		 1t69A-1qwyA:
22.25
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.
1qwy PEPTIDOGLYCAN
HYDROLASE

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 291
HIS A 260
GLY A 241
ASP A 214
HIS A 293
 None
None
None
ZN  A 400 (-2.2A)
ZN  A 400 (-3.1A)
 1.20A 1t69A-1qwyA:
undetectable		 1t69A-1qwyA:
22.25
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.
1x0a MALATE/L-LACTATE
DEHYDROGENASE FAMILY
PROTEIN

(Thermus
thermophilus) 		PF02615
(Ldh_2) 		5 HIS A  44
GLY A 181
PHE A 184
HIS A 115
TYR A 250
 None
 1.50A 1t69A-1x0aA:
undetectable		 1t69A-1x0aA:
22.47
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.
1ylo HYPOTHETICAL PROTEIN
SF2450

(Shigella
flexneri) 		PF05343
(Peptidase_M42) 		5 ASP A 249
HIS A 308
GLY A 281
PHE A 278
ASP A 166
 None
ZN  A1447 (-3.2A)
None
None
ZN  A1446 ( 2.3A)
 1.43A 1t69A-1yloA:
undetectable		 1t69A-1yloA:
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.
1ztc HYPOTHETICAL PROTEIN
TM0894

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 HIS A  74
HIS A  69
ASP A  73
HIS A  71
TYR A 108
 NI  A 301 (-3.4A)
NI  A 302 (-3.3A)
NI  A 301 (-3.2A)
NI  A 302 (-3.2A)
None
 1.46A 1t69A-1ztcA:
undetectable		 1t69A-1ztcA:
21.37
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.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		6 ASP A  98
HIS A 142
HIS A 143
GLY A 151
ASP A 180
PHE A 208
 None
3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
3YP  A1452 (-3.4A)
ZN  A1451 (-1.9A)
3YP  A1452 (-3.6A)
 1.44A 1t69A-1zz3A:
42.0		 1t69A-1zz3A:
26.83
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.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		9 HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 180
HIS A 182
PHE A 208
ASP A 268
TYR A 312
 3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
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)
 0.54A 1t69A-1zz3A:
42.0		 1t69A-1zz3A:
26.83
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		5 ASP A 601
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)
 1.46A 1t69A-2a3lA:
undetectable		 1t69A-2a3lA:
21.37
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A  55
HIS A 239
GLY A 213
ASP A 323
ASP A 324
 CO  A1000 (-3.3A)
CO  A1000 (-3.4A)
None
CO  A1000 (-2.7A)
None
 1.25A 1t69A-2amxA:
undetectable		 1t69A-2amxA:
21.53
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.
2apo PROBABLE TRNA
PSEUDOURIDINE
SYNTHASE B
RIBOSOME BIOGENESIS
PROTEIN NOP10

(Methanocaldococcus
jannaschii) 		PF01472
(PUA)
PF01509
(TruB_N)
PF04135
(Nop10p)
PF08068
(DKCLD)
PF16198
(TruB_C_2) 		5 TYR A 214
ASP A  51
GLY A  86
MET B 406
TYR B 415
 None
 1.30A 1t69A-2apoA:
undetectable		 1t69A-2apoA:
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TYR A 522
HIS A 681
GLY A 633
ASP A 685
HIS A 717
 None
 1.48A 1t69A-2ecfA:
undetectable		 1t69A-2ecfA:
19.17
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.
2fn9 RIBOSE ABC
TRANSPORTER,
PERIPLASMIC
RIBOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13407
(Peripla_BP_4) 		5 GLY A 114
PHE A 117
ASP A 157
HIS A 153
TYR A 133
 None
 1.23A 1t69A-2fn9A:
undetectable		 1t69A-2fn9A:
21.50
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.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 ASP A  80
HIS A  59
HIS A  54
ASP A  58
HIS A  56
 None
FE  A 701 (-3.1A)
ZN  A 700 (-3.2A)
FE  A 701 (-2.6A)
ZN  A 700 (-3.2A)
 1.42A 1t69A-2q42A:
undetectable		 1t69A-2q42A:
19.49
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.
2zoa PHOSPHOHYDROLASE

(Klebsiella
aerogenes) 		PF00149
(Metallophos) 		5 HIS A 156
HIS A 157
GLY A 129
ASP A  50
HIS A 195
 FE2  A 276 (-3.6A)
None
None
FE2  A 276 (-2.7A)
FE2  A 276 ( 3.5A)
 1.48A 1t69A-2zoaA:
undetectable		 1t69A-2zoaA:
21.32
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) 		6 ASP A 626
GLY A 678
PHE A 679
HIS A 709
PHE A 738
ASP A 707
 TSN  A 301 ( 4.0A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 (-2.1A)
 1.28A 1t69A-3c10A:
39.9		 1t69A-3c10A:
26.39
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 ASP A 626
HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
 TSN  A 301 ( 4.0A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
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)
 0.53A 1t69A-3c10A:
39.9		 1t69A-3c10A:
26.39
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 HIS A  42
HIS A 225
GLY A 199
ASP A 309
ASP A 310
 ZN  A 371 (-3.3A)
ZN  A 371 ( 3.4A)
MCF  A 372 ( 3.9A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 1.23A 1t69A-3ewdA:
undetectable		 1t69A-3ewdA:
22.72
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.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 ASP A 103
HIS A  81
HIS A  76
ASP A  80
HIS A  78
 None
MN  A 401 (-3.5A)
MN  A 400 ( 3.4A)
MLT  A 500 ( 2.8A)
MN  A 400 ( 3.3A)
 1.43A 1t69A-3g1pA:
undetectable		 1t69A-3g1pA:
19.79
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.
3hft WBMS, POLYSACCHARIDE
DEACETYLASE INVOLVED
IN O-ANTIGEN
BIOSYNTHESIS

(Bordetella
bronchiseptica) 		no annotation 5 ASP A 146
HIS A  91
ASP A  43
ASP A 205
TYR A 174
 None
ZN  A 257 ( 3.4A)
EDO  A 261 (-3.4A)
EDO  A 261 (-4.3A)
None
 1.29A 1t69A-3hftA:
undetectable		 1t69A-3hftA:
18.35
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 ASP A 104
HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
TYR A 308
 None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
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 (-4.4A)
 0.35A 1t69A-3maxA:
55.9		 1t69A-3maxA:
41.62
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) 		5 TYR A 157
HIS A 145
HIS A 183
ASP A 269
TYR A 308
 None
LLX  A 400 (-4.0A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
 1.48A 1t69A-3maxA:
55.9		 1t69A-3maxA:
41.62
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) 		6 ASP A 113
HIS A 156
HIS A 157
GLY A 165
ASP A 192
HIS A 194
 None
SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
SO4  A 401 (-4.9A)
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
 1.44A 1t69A-3menA:
36.4		 1t69A-3menA:
26.13
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) 		8 HIS A 156
HIS A 157
GLY A 165
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)
SO4  A 401 (-4.9A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
 0.45A 1t69A-3menA:
36.4		 1t69A-3menA:
26.13
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.
3nyy PUTATIVE
GLYCYL-GLYCINE
ENDOPEPTIDASE LYTM

([Ruminococcus]
gnavus) 		PF01551
(Peptidase_M23) 		5 HIS A 243
HIS A 204
GLY A 186
ASP A 156
HIS A 245
 None
 1.22A 1t69A-3nyyA:
undetectable		 1t69A-3nyyA:
21.50
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)
 1.28A 1t69A-3paoA:
undetectable		 1t69A-3paoA:
22.75
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		7 HIS A 158
GLY A 167
ASP A 195
HIS A 197
PHE A 225
ASP A 284
TYR A 323
 Q9C  A 401 (-4.2A)
Q9C  A 401 (-3.7A)
ZN  A 343 (-2.3A)
ZN  A 343 (-3.4A)
Q9C  A 401 (-3.8A)
ZN  A 343 (-2.7A)
None
 0.45A 1t69A-3q9cA:
35.6		 1t69A-3q9cA:
25.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.26A 1t69A-3rysA:
undetectable		 1t69A-3rysA:
21.48
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		5 TYR A 285
GLY A 338
HIS A 316
ASP A  72
MET A 411
 None
 1.50A 1t69A-3sfwA:
undetectable		 1t69A-3sfwA:
21.88
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.
3tis PROTEIN YRDA

(Escherichia
coli) 		PF00132
(Hexapep) 		5 HIS A  70
HIS A  96
GLY A  97
HIS A  67
ASP A  48
 ZN  A 185 (-3.4A)
ZN  A 185 (-3.3A)
None
ZN  A 185 (-3.2A)
None
 1.34A 1t69A-3tisA:
undetectable		 1t69A-3tisA:
19.89
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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus) 		PF00150
(Cellulase) 		5 ASP A 236
HIS A 294
GLY A 238
PHE A 259
TYR A 253
 None
None
None
None
NAG  A 401 (-3.6A)
 1.47A 1t69A-3wflA:
undetectable		 1t69A-3wflA:
21.84
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 ASP A  93
HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
TYR A 298
 None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
 0.32A 1t69A-4a69A:
55.2		 1t69A-4a69A:
40.98
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)
 1.37A 1t69A-4a69A:
55.2		 1t69A-4a69A:
40.98
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.
4amf PHOX

(Pseudomonas
fluorescens) 		PF05787
(DUF839) 		5 ASP A 515
HIS A 338
GLY A 519
ASP A 447
TYR A 399
 None
None
EDO  A1602 ( 4.1A)
None
None
 0.97A 1t69A-4amfA:
undetectable		 1t69A-4amfA:
21.08
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) 		6 ASP B  99
GLY B 149
PHE B 150
ASP B 264
HIS B 178
PHE B 205
 None
None
None
ZN  B 600 ( 2.5A)
ZN  B 600 (-3.3A)
None
 1.24A 1t69A-4bkxB:
54.9		 1t69A-4bkxB:
33.61
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 ASP B  99
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
TYR B 303
 None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
 0.61A 1t69A-4bkxB:
54.9		 1t69A-4bkxB:
33.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		6 ASP A 100
PHE A 151
ASP A 186
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 ( 3.6A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.78A 1t69A-4bz7A:
54.9		 1t69A-4bz7A:
38.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		9 HIS A 141
HIS A 142
GLY A 150
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)
GOL  A 800 ( 3.5A)
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)
 0.31A 1t69A-4bz7A:
54.9		 1t69A-4bz7A:
38.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 TYR A 153
HIS A 141
HIS A 188
ASP A 285
TYR A 341
 None
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.49A 1t69A-4bz7A:
54.9		 1t69A-4bz7A:
38.39
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.
4c0j MITOCHONDRIAL RHO
GTPASE

(Drosophila
melanogaster) 		PF00071
(Ras)
PF08355
(EF_assoc_1)
PF08356
(EF_assoc_2) 		5 TYR A 409
HIS A 418
GLY A 414
PHE A 334
TYR A 342
 None
 1.38A 1t69A-4c0jA:
undetectable		 1t69A-4c0jA:
19.68
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) 		7 HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
ASP A 934
 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)
 0.39A 1t69A-4cbyA:
40.0		 1t69A-4cbyA:
27.51
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		7 HIS A 802
HIS A 803
GLY A 811
PHE A 812
ASP A 840
PHE A 871
ASP A 934
 KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
 0.69A 1t69A-4cbyA:
40.0		 1t69A-4cbyA:
27.51
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.
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
 1.35A 1t69A-4dvhA:
undetectable		 1t69A-4dvhA:
18.90
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.
4efc ADENYLOSUCCINATE
LYASE

(Trypanosoma
brucei) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		5 GLY A 222
PHE A 221
HIS A 231
PHE A 228
TYR A  57
 None
 1.48A 1t69A-4efcA:
undetectable		 1t69A-4efcA:
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.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  66
ASP A  36
HIS A -16
ASP A 189
MET A 187
 EDO  A 328 (-3.6A)
ZN  A 301 (-2.3A)
ZN  A 301 ( 3.2A)
ZN  A 301 (-2.0A)
None
 1.25A 1t69A-4ehcA:
undetectable		 1t69A-4ehcA:
21.45
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.
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
 1.37A 1t69A-4h3eA:
undetectable		 1t69A-4h3eA:
19.26
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		5 HIS A  96
HIS A  98
GLY A 133
PHE A  99
ASP A 207
 ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-3.3A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
 1.11A 1t69A-4keqA:
undetectable		 1t69A-4keqA:
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 TYR A 101
HIS A 329
GLY A 261
HIS A 367
ASP A 196
 None
None
None
ZN  A 701 (-3.4A)
ZN  A 701 (-2.5A)
 1.35A 1t69A-4nurA:
undetectable		 1t69A-4nurA:
20.25
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ASP A 501
HIS A 474
GLY A 500
HIS A 519
ASP A 522
 None
 1.38A 1t69A-4om9A:
undetectable		 1t69A-4om9A:
17.01
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.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		5 HIS A 360
HIS A 329
GLY A 310
ASP A 283
HIS A 362
 None
None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
 1.20A 1t69A-4qpbA:
undetectable		 1t69A-4qpbA:
15.04
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.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 5 HIS A 435
GLY A 491
PHE A 488
ASP A 473
TYR A 483
 None
 1.48A 1t69A-4ru5A:
undetectable		 1t69A-4ru5A:
20.63
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 HIS A  66
GLY A  65
PHE A 125
MET A 332
TYR A 329
 ZN  A 401 ( 3.1A)
None
None
8ID  A 403 ( 4.7A)
None
 1.32A 1t69A-4w6zA:
2.5		 1t69A-4w6zA:
23.33
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.
5avm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 HIS A 243
GLY A 246
ASP A  90
HIS A  86
ASP A  61
 None
 1.38A 1t69A-5avmA:
undetectable		 1t69A-5avmA:
21.95
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 9 HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
TYR B 782
 TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
 0.41A 1t69A-5eduB:
41.7		 1t69A-5eduB:
20.45
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 ASP A 149
HIS A 192
HIS A 193
GLY A 201
ASP A 230
HIS A 232
 None
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
TSN  A2002 ( 3.8A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
 1.34A 1t69A-5eefA:
41.5		 1t69A-5eefA:
27.43
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		8 HIS A 192
HIS A 193
GLY A 201
PHE A 202
ASP A 230
HIS A 232
ASP A 323
TYR A 363
 TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 (-4.3A)
 0.45A 1t69A-5eefA:
41.5		 1t69A-5eefA:
27.43
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 TYR A 152
HIS A 193
GLY A 201
HIS A 232
ASP A 323
 None
TSN  A2002 (-3.9A)
TSN  A2002 ( 3.8A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
 1.40A 1t69A-5eefA:
41.5		 1t69A-5eefA:
27.43
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.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 8 HIS B 573
GLY B 582
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
TYR B 745
 None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
None
 0.42A 1t69A-5efnB:
41.4		 1t69A-5efnB:
28.54
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) 		9 HIS A 573
HIS A 574
GLY A 582
PHE A 583
ASP A 612
HIS A 614
PHE A 643
ASP A 705
TYR A 745
 E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
E1Z  A1801 (-3.6A)
E1Z  A1801 (-3.9A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
E1Z  A1801 (-4.4A)
 0.37A 1t69A-5g0hA:
41.4		 1t69A-5g0hA:
19.67
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		10 ASP A 101
HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
TYR A 313
 6DK  A1375 (-3.0A)
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-4.4A)
 0.63A 1t69A-5g10A:
42.0		 1t69A-5g10A:
24.37
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) 		8 ASP A  83
HIS A 125
GLY A 134
PHE A 135
ASP A 163
HIS A 165
ASP A 244
TYR A 288
 EDO  A 403 ( 4.6A)
None
EDO  A 403 (-3.6A)
EDO  A 403 ( 3.8A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
 0.77A 1t69A-5ji5A:
37.3		 1t69A-5ji5A:
25.96
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) 		8 HIS A 125
HIS A 126
GLY A 134
PHE A 135
ASP A 163
HIS A 165
ASP A 244
TYR A 288
 None
EDO  A 403 (-4.2A)
EDO  A 403 (-3.6A)
EDO  A 403 ( 3.8A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
 0.36A 1t69A-5ji5A:
37.3		 1t69A-5ji5A:
25.96
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 HIS A 132
HIS A 312
ASP A 106
HIS A 131
ASP A  47
 A  C1004 ( 3.5A)
A  C1004 ( 3.7A)
MN  A1001 ( 2.6A)
MN  A1001 (-3.5A)
MN  A1001 (-3.2A)
 1.45A 1t69A-5jjuA:
undetectable		 1t69A-5jjuA:
21.39
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.
5kqc PEPTIDASE M23

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 157
HIS A 125
GLY A 106
ASP A  80
HIS A 159
 None
None
None
ZN  A 201 (-1.5A)
ZN  A 201 (-3.2A)
 1.19A 1t69A-5kqcA:
undetectable		 1t69A-5kqcA:
18.16
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 HIS A1477
GLY A1369
ASP A1475
PHE A1367
ASP A1474
 None
 1.40A 1t69A-5m5pA:
4.6		 1t69A-5m5pA:
11.53
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 HIS A 105
GLY A 285
ASP A  80
HIS A 104
ASP A  25
 PG4  A 403 (-4.5A)
PG4  A 403 (-3.5A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.5A)
MN  A 402 (-3.1A)
 1.29A 1t69A-5o25A:
undetectable		 1t69A-5o25A:
21.48
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 5 ASP B  49
HIS B 260
GLY B 259
PHE B 256
ASP B 521
 None
 1.45A 1t69A-5ofbB:
undetectable		 1t69A-5ofbB:
11.55
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		8 ASP A  94
HIS A 136
HIS A 137
GLY A 145
PHE A 146
ASP A 174
HIS A 176
ASP A 267
 FKS  A 711 (-3.5A)
FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
FKS  A 711 (-4.5A)
FKS  A 711 (-3.9A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
 0.64A 1t69A-5td7A:
41.6		 1t69A-5td7A:
19.21
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 TYR A  96
HIS A 137
GLY A 145
HIS A 176
ASP A 267
 None
FKS  A 711 (-3.5A)
FKS  A 711 (-4.5A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
 1.30A 1t69A-5td7A:
41.6		 1t69A-5td7A:
19.21
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 TYR A 111
ASP A 112
HIS A 120
HIS A 131
GLY A 132
 None
None
EDO  A 814 (-4.0A)
EDO  A 814 (-4.3A)
None
 1.48A 1t69A-5v1wA:
undetectable		 1t69A-5v1wA:
20.25
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) 		11 ASP A 101
HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
MET A 274
TYR A 306
 None
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
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 (-4.1A)
EDO  A 407 ( 3.3A)
 0.35A 1t69A-5vi6A:
62.4		 1t69A-5vi6A:
98.14