SIMILAR PATTERNS OF AMINO ACIDS FOR 4LXZ_A_SHHA407

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  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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		11 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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 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
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS A 462
HIS A 407
GLY A 406
ASP A  12
GLY A  13
 MN  A 601 ( 3.3A)
MN  A 601 ( 3.2A)
None
2PG  A 801 ( 4.5A)
None
 1.16A 4lxzA-1o99A:
3.3		 4lxzA-1o99A:
20.31
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.
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)
 1.19A 4lxzA-1qwyA:
undetectable		 4lxzA-1qwyA:
19.44
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.
1sdd COAGULATION FACTOR V

(Bos taurus) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		5 ASP A 112
HIS A  85
GLY A  97
HIS B1804
GLY B1805
 CA  A2184 (-2.5A)
None
None
CU  B2190 (-3.7A)
None
 1.21A 4lxzA-1sddA:
undetectable		 4lxzA-1sddA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		10 HIS A  36
HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 180
HIS A 182
ASP A 268
GLY A 310
TYR A 312
 None
3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
3YP  A1452 (-3.4A)
3YP  A1452 (-3.8A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 3.7A)
3YP  A1452 (-4.6A)
 0.69A 4lxzA-1zz3A:
44.6		 4lxzA-1zz3A:
25.06
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 HIS A  36
HIS A 143
HIS A 182
ASP A 268
GLY A 310
TYR A 312
 None
3YP  A1452 (-3.4A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 3.7A)
3YP  A1452 (-4.6A)
 1.12A 4lxzA-1zz3A:
44.6		 4lxzA-1zz3A:
25.06
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
 1.21A 4lxzA-2amxA:
undetectable		 4lxzA-2amxA:
23.17
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 ASP A 433
HIS A 347
HIS A 435
GLY A 434
ASP A  56
 MG  A1480 (-2.4A)
ZN  A1476 ( 3.1A)
ZN  A1475 ( 3.2A)
None
ZN  A1476 (-2.2A)
 1.01A 4lxzA-2x98A:
3.0		 4lxzA-2x98A:
20.58
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.
2xhs NUCLEAR HORMONE
RECEPTOR FTZ-F1

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		5 HIS A 884
GLY A 783
ASP A 932
GLY A 931
TYR A 969
 None
 1.13A 4lxzA-2xhsA:
undetectable		 4lxzA-2xhsA:
19.57
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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		5 ASP A 410
GLY A 408
ASP A 144
HIS A 405
GLY A 402
 None
 0.93A 4lxzA-2yg6A:
undetectable		 4lxzA-2yg6A:
19.96
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 ASP A 246
HIS A 317
GLY A 248
HIS A 355
ASP A 183
 None
SO4  A 801 (-4.3A)
None
ZN  A 700 (-3.2A)
ZN  A 700 (-2.4A)
 1.17A 4lxzA-2yheA:
undetectable		 4lxzA-2yheA:
19.25
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 ASP A 626
GLY A 678
PHE A 679
HIS A 709
ASP A 707
GLY A 841
 TSN  A 301 ( 4.0A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
ZN  A 101 (-2.1A)
TSN  A 301 ( 3.9A)
 1.49A 4lxzA-3c10A:
42.2		 4lxzA-3c10A:
25.17
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		10 PRO A 542
ASP A 626
HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
ASP A 801
GLY A 841
 TSN  A 301 ( 4.5A)
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)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
 0.50A 4lxzA-3c10A:
42.2		 4lxzA-3c10A:
25.17
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 PRO A 542
ASP A 626
PHE A 679
HIS A 709
ASP A 801
GLY A 842
 TSN  A 301 ( 4.5A)
TSN  A 301 ( 4.0A)
TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
 1.27A 4lxzA-3c10A:
42.2		 4lxzA-3c10A:
25.17
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.
3ewb 2-ISOPROPYLMALATE
SYNTHASE

(Listeria
monocytogenes) 		PF00682
(HMGL-like) 		5 ASP X   8
HIS X 203
HIS X 201
GLY X 226
GLY X 236
 None
 1.15A 4lxzA-3ewbX:
undetectable		 4lxzA-3ewbX:
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.
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)
 1.17A 4lxzA-3ewdA:
undetectable		 4lxzA-3ewdA:
22.56
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.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 HIS A 285
GLY A 209
PHE A 211
ASP A 462
GLY A 483
 None
None
None
TPQ  A 461 ( 3.9A)
TPQ  A 461 ( 4.4A)
 1.00A 4lxzA-3higA:
undetectable		 4lxzA-3higA:
19.70
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS B 496
HIS B 429
GLY B 428
ASP B  23
GLY B  24
 CO  B 562 (-3.3A)
CO  B 562 (-3.2A)
None
CO  B 563 ( 2.2A)
None
 1.21A 4lxzA-3igzB:
3.3		 4lxzA-3igzB:
21.62
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) 		12 HIS A  33
PRO A  34
ASP A 104
HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
ASP A 269
GLY A 306
TYR A 308
 None
None
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)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
 0.20A 4lxzA-3maxA:
69.3		 4lxzA-3maxA:
99.73
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  33
PRO A  34
ASP A 269
GLY A 307
TYR A 308
 None
None
ZN  A 379 ( 2.5A)
None
LLX  A 400 (-4.4A)
 1.16A 4lxzA-3maxA:
69.3		 4lxzA-3maxA:
99.73
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 145
HIS A 146
GLY A 154
ASP A 181
GLY A 305
 LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.5A)
 0.81A 4lxzA-3maxA:
69.3		 4lxzA-3maxA:
99.73
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		9 HIS A 156
HIS A 157
GLY A 165
PHE A 166
ASP A 192
HIS A 194
ASP A 281
GLY A 318
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 ( 3.7A)
SO4  A 401 (-4.5A)
 0.36A 4lxzA-3menA:
38.4		 4lxzA-3menA:
24.39
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		5 HIS A 157
HIS A 194
ASP A 281
GLY A 318
TYR A 320
 SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 ( 3.7A)
SO4  A 401 (-4.5A)
 1.18A 4lxzA-3menA:
38.4		 4lxzA-3menA:
24.39
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.
3mgw LYSOZYME G

(Salmo salar) 		PF01464
(SLT) 		5 ASP A  86
HIS A 112
GLY A  90
GLY A 116
TYR A 147
 None
 1.21A 4lxzA-3mgwA:
undetectable		 4lxzA-3mgwA:
18.47
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS A 495
HIS A 428
GLY A 427
ASP A  22
GLY A  23
 CO  A 554 (-3.3A)
CO  A 554 (-3.3A)
None
CO  A 553 (-2.1A)
CO  A 553 ( 4.9A)
 1.18A 4lxzA-3nvlA:
undetectable		 4lxzA-3nvlA:
20.67
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.
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
 1.20A 4lxzA-3nyyA:
undetectable		 4lxzA-3nyyA:
21.20
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 PRO B 709
ASP B 679
HIS B 617
ASP B 881
GLY B 877
 None
 1.13A 4lxzA-3o8oB:
undetectable		 4lxzA-3o8oB:
17.62
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.
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)
 1.20A 4lxzA-3paoA:
undetectable		 4lxzA-3paoA:
22.55
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		7 HIS A 158
GLY A 167
ASP A 195
HIS A 197
ASP A 284
GLY A 321
TYR A 323
 Q9C  A 401 (-4.2A)
Q9C  A 401 (-3.7A)
ZN  A 343 (-2.3A)
ZN  A 343 (-3.4A)
ZN  A 343 (-2.7A)
Q9C  A 401 (-3.6A)
None
 0.36A 4lxzA-3q9cA:
38.2		 4lxzA-3q9cA:
21.81
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 158
HIS A 197
ASP A 284
GLY A 322
TYR A 323
 Q9C  A 401 (-4.2A)
ZN  A 343 (-3.4A)
ZN  A 343 (-2.7A)
None
None
 1.21A 4lxzA-3q9cA:
38.2		 4lxzA-3q9cA:
21.81
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.
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)
 1.18A 4lxzA-3rysA:
undetectable		 4lxzA-3rysA:
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		5 PRO A 217
GLY A 254
PHE A 253
ASP A 260
TYR A 218
 None
 1.07A 4lxzA-3zizA:
undetectable		 4lxzA-3zizA:
21.30
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) 		6 ASP A  93
HIS A 134
HIS A 135
GLY A 143
ASP A 170
GLY A 295
 None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
None
 0.93A 4lxzA-4a69A:
63.6		 4lxzA-4a69A:
62.80
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  22
ASP A  93
HIS A 172
PHE A 144
GLY A 297
 None
None
ZN  A 500 (-3.1A)
None
None
 1.15A 4lxzA-4a69A:
63.6		 4lxzA-4a69A:
62.80
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) 		6 HIS A  22
ASP A  93
PHE A 144
ASP A 259
GLY A 297
TYR A 298
 None
None
None
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
 1.22A 4lxzA-4a69A:
63.6		 4lxzA-4a69A:
62.80
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) 		12 HIS A  22
PRO A  23
ASP A  93
HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
ASP A 259
GLY A 296
TYR A 298
 None
None
None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
 0.30A 4lxzA-4a69A:
63.6		 4lxzA-4a69A:
62.80
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 134
HIS A 172
ASP A 259
GLY A 296
TYR A 298
 ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
 0.93A 4lxzA-4a69A:
63.6		 4lxzA-4a69A:
62.80
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 PRO A  23
HIS A 135
HIS A 172
ASP A 259
TYR A 298
 None
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
 1.09A 4lxzA-4a69A:
63.6		 4lxzA-4a69A:
62.80
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.
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
 0.99A 4lxzA-4amfA:
undetectable		 4lxzA-4amfA:
20.39
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 ASP B 181
GLY B 180
ASP B 264
HIS B 178
GLY B 301
 None
None
ZN  B 600 ( 2.5A)
ZN  B 600 (-3.3A)
ACT  B 601 (-3.4A)
 1.19A 4lxzA-4bkxB:
65.2		 4lxzA-4bkxB:
93.51
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  28
PRO B  29
ASP B 264
GLY B 302
TYR B 303
 None
None
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
 1.11A 4lxzA-4bkxB:
65.2		 4lxzA-4bkxB:
93.51
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) 		11 HIS B  28
PRO B  29
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
ASP B 264
GLY B 301
TYR B 303
 None
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
 0.27A 4lxzA-4bkxB:
65.2		 4lxzA-4bkxB:
93.51
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 140
HIS B 141
GLY B 149
ASP B 176
GLY B 300
 ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ACT  B 601 ( 4.8A)
 0.88A 4lxzA-4bkxB:
65.2		 4lxzA-4bkxB:
93.51
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) 		11 PRO B  29
ASP B  99
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
ASP B 264
GLY B 301
TYR B 303
 None
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
 0.58A 4lxzA-4bkxB:
65.2		 4lxzA-4bkxB:
93.51
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 PRO B  29
HIS B 140
HIS B 178
ASP B 264
GLY B 301
TYR B 303
 None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
 1.19A 4lxzA-4bkxB:
65.2		 4lxzA-4bkxB:
93.51
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) 		8 ASP A 100
HIS A 141
PHE A 151
ASP A 186
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 ( 3.6A)
B3N  A 700 (-3.9A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.65A 4lxzA-4bz7A:
52.3		 4lxzA-4bz7A:
33.85
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 HIS A 141
HIS A 142
GLY A 150
ASP A 186
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
ZN  A 500 (-2.3A)
None
 0.84A 4lxzA-4bz7A:
52.3		 4lxzA-4bz7A:
33.85
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
ASP A 285
GLY A 339
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)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.18A 4lxzA-4bz7A:
52.3		 4lxzA-4bz7A:
33.85
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 HIS A 141
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.99A 4lxzA-4bz7A:
52.3		 4lxzA-4bz7A:
33.85
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 PRO A 676
HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
ASP A 934
GLY A 974
 None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
 0.38A 4lxzA-4cbyA:
42.4		 4lxzA-4cbyA:
29.65
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		7 PRO A 676
HIS A 802
HIS A 803
GLY A 811
PHE A 812
ASP A 840
GLY A 974
 None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
KEE  A2033 (-3.6A)
 0.57A 4lxzA-4cbyA:
42.4		 4lxzA-4cbyA:
29.65
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.
4irq BETA-1,4-GALACTOSYLT
RANSFERASE 7

(Homo sapiens) 		PF02709
(Glyco_transf_7C)
PF13733
(Glyco_transf_7N) 		5 HIS A 195
HIS A 257
ASP A 163
GLY A 202
TYR A 199
 None
MN  A 401 ( 3.5A)
UDP  A 402 (-3.3A)
None
TRS  A 403 (-4.9A)
 1.12A 4lxzA-4irqA:
undetectable		 4lxzA-4irqA:
22.89
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.
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)
 1.14A 4lxzA-4keqA:
undetectable		 4lxzA-4keqA:
22.53
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.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		5 HIS A 336
HIS A 193
GLY A 192
ASP A  34
GLY A  35
 ZN  A 506 ( 3.3A)
ZN  A 506 ( 3.3A)
None
ZN  A 505 (-2.1A)
ZN  A 505 ( 4.8A)
 1.22A 4lxzA-4lr2A:
undetectable		 4lxzA-4lr2A:
22.17
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.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		5 HIS A 877
PRO A 876
GLY A 786
HIS A1061
GLY A1062
 None
 1.08A 4lxzA-4n1aA:
2.8		 4lxzA-4n1aA:
20.70
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		5 HIS A 877
PRO A 876
GLY A 786
HIS A1061
GLY A1062
 None
 0.98A 4lxzA-4nh0A:
2.8		 4lxzA-4nh0A:
15.68
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.
4psu ALPHA/BETA HYDROLASE

(Rhodopseudomonas
palustris) 		PF12697
(Abhydrolase_6) 		5 HIS A 208
HIS A 274
HIS A 114
GLY A  48
TYR A 199
 None
None
None
None
12P  A 301 ( 4.7A)
 1.01A 4lxzA-4psuA:
undetectable		 4lxzA-4psuA:
21.46
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.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS A 456
HIS A 401
GLY A 400
ASP A  12
GLY A  13
 MN  A 601 (-3.6A)
MN  A 601 (-3.4A)
None
MN  A 602 (-2.1A)
None
 1.21A 4lxzA-4qaxA:
3.5		 4lxzA-4qaxA:
21.52
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
 1.20A 4lxzA-4qpbA:
undetectable		 4lxzA-4qpbA:
16.62
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.
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)
 1.18A 4lxzA-4qpbA:
undetectable		 4lxzA-4qpbA:
16.62
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.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 5 ASP A 628
HIS A 598
GLY A 629
GLY A 632
TYR A 678
 None
 1.11A 4lxzA-4ru5A:
undetectable		 4lxzA-4ru5A:
19.57
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.
5cx0 PEPTIDE DEFORMYLASE

(Xanthomonas
oryzae) 		PF01327
(Pep_deformylase) 		5 PRO A 152
GLY A 162
PHE A 161
GLY A  98
TYR A 151
 None
None
None
56L  A 205 (-3.5A)
None
 1.18A 4lxzA-5cx0A:
undetectable		 4lxzA-5cx0A:
18.96
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 6 ASP B 567
HIS B 610
HIS B 611
GLY B 619
ASP B 649
HIS B 651
 None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
 1.31A 4lxzA-5eduB:
43.8		 4lxzA-5eduB:
18.89
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 11 HIS B 500
PRO B 501
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
ASP B 742
GLY B 780
TYR B 782
 TSN  B2501 ( 4.4A)
TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 0.47A 4lxzA-5eduB:
43.8		 4lxzA-5eduB:
18.89
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 PRO B 501
HIS B 610
HIS B 651
ASP B 742
TYR B 782
 TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
 1.12A 4lxzA-5eduB:
43.8		 4lxzA-5eduB:
18.89
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 PRO B 607
HIS B 651
GLY B 619
ASP B 742
GLY B 780
 None
ZN  B2502 (-3.2A)
TSN  B2501 ( 3.8A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
 1.17A 4lxzA-5eduB:
43.8		 4lxzA-5eduB:
18.89
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.
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)
 1.31A 4lxzA-5eefA:
43.5		 4lxzA-5eefA:
26.96
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A  82
HIS A 232
ASP A 323
GLY A 362
TYR A 363
 None
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
None
TSN  A2002 (-4.3A)
 1.15A 4lxzA-5eefA:
43.5		 4lxzA-5eefA:
26.96
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		11 HIS A  82
PRO A  83
HIS A 192
HIS A 193
GLY A 201
PHE A 202
ASP A 230
HIS A 232
ASP A 323
GLY A 361
TYR A 363
 None
None
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 ( 3.8A)
TSN  A2002 (-4.3A)
 0.55A 4lxzA-5eefA:
43.5		 4lxzA-5eefA:
26.96
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 193
HIS A 232
ASP A 323
GLY A 361
TYR A 363
 TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 1.02A 4lxzA-5eefA:
43.5		 4lxzA-5eefA:
26.96
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 PRO A  83
HIS A 192
HIS A 232
ASP A 323
TYR A 363
 None
TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 (-4.3A)
 1.03A 4lxzA-5eefA:
43.5		 4lxzA-5eefA:
26.96
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.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 5 HIS B 463
HIS B 614
ASP B 705
GLY B 744
TYR B 745
 None
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
None
None
 1.20A 4lxzA-5efnB:
43.7		 4lxzA-5efnB:
27.82
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 10 HIS B 463
PRO B 464
HIS B 573
GLY B 582
PHE B 583
ASP B 612
HIS B 614
ASP B 705
GLY B 743
TYR B 745
 None
None
None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
None
 0.49A 4lxzA-5efnB:
43.7		 4lxzA-5efnB:
27.82
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
GLY B 743
TYR B 745
 None
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
None
 1.04A 4lxzA-5efnB:
43.7		 4lxzA-5efnB:
27.82
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) 		11 HIS A 463
PRO A 464
HIS A 573
HIS A 574
GLY A 582
PHE A 583
ASP A 612
HIS A 614
ASP A 705
GLY A 743
TYR A 745
 None
None
E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
E1Z  A1801 (-3.6A)
E1Z  A1801 (-3.9A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 0.48A 4lxzA-5g0hA:
43.7		 4lxzA-5g0hA:
17.60
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 463
PRO A 464
HIS A 614
ASP A 705
GLY A 744
TYR A 745
 None
None
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
None
E1Z  A1801 (-4.4A)
 1.19A 4lxzA-5g0hA:
43.7		 4lxzA-5g0hA:
17.60
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 PRO A 464
HIS A 574
HIS A 614
ASP A 705
GLY A 743
TYR A 745
 None
E1Z  A1801 (-3.8A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 1.09A 4lxzA-5g0hA:
43.7		 4lxzA-5g0hA:
17.60
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		11 HIS A  39
ASP A 101
HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 None
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)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.58A 4lxzA-5g10A:
44.6		 4lxzA-5g10A:
23.76
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 HIS A  39
HIS A 183
ASP A 269
GLY A 312
TYR A 313
 None
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.19A 4lxzA-5g10A:
44.6		 4lxzA-5g10A:
23.76
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) 		6 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.35A 4lxzA-5g10A:
44.6		 4lxzA-5g10A:
23.76
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 HIS A 143
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.04A 4lxzA-5g10A:
44.6		 4lxzA-5g10A:
23.76
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 140
HIS A 183
GLY A 152
ASP A 269
GLY A 311
 None
ZN  A1372 (-3.2A)
6DK  A1375 (-3.9A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
 1.21A 4lxzA-5g10A:
44.6		 4lxzA-5g10A:
23.76
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.
5i2b PEPTIDE DEFORMYLASE

(Burkholderia
ambifaria) 		PF01327
(Pep_deformylase) 		5 PRO A 152
GLY A 162
PHE A 161
GLY A  98
TYR A 151
 None
None
None
BB2  A 202 (-2.7A)
None
 1.17A 4lxzA-5i2bA:
undetectable		 4lxzA-5i2bA:
19.24
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) 		6 HIS A  20
PRO A  21
ASP A  83
ASP A 244
GLY A 287
TYR A 288
 None
None
EDO  A 403 ( 4.6A)
ZN  A 401 (-2.5A)
None
None
 1.41A 4lxzA-5ji5A:
39.8		 4lxzA-5ji5A:
25.13
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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		12 HIS A  20
PRO A  21
ASP A  83
HIS A 125
HIS A 126
GLY A 134
PHE A 135
ASP A 163
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
None
EDO  A 403 ( 4.6A)
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)
ZN  A 401 ( 4.2A)
None
 0.65A 4lxzA-5ji5A:
39.8		 4lxzA-5ji5A:
25.13
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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 HIS A 125
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 1.09A 4lxzA-5ji5A:
39.8		 4lxzA-5ji5A:
25.13
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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 PRO A  21
HIS A 126
HIS A 165
ASP A 244
TYR A 288
 None
EDO  A 403 (-4.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
 1.02A 4lxzA-5ji5A:
39.8		 4lxzA-5ji5A:
25.13
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.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS A 485
HIS A 430
GLY A 429
ASP A  37
GLY A  38
 MN  A 604 (-3.3A)
MN  A 604 (-3.4A)
None
ZN  A 605 (-2.0A)
None
 1.21A 4lxzA-5kgnA:
3.2		 4lxzA-5kgnA:
20.89
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.
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)
 1.18A 4lxzA-5kqcA:
undetectable		 4lxzA-5kqcA:
17.84
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) 		9 ASP A  94
HIS A 136
HIS A 137
GLY A 145
PHE A 146
ASP A 174
HIS A 176
ASP A 267
GLY A 305
 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)
FKS  A 711 (-3.2A)
 0.67A 4lxzA-5td7A:
43.4		 4lxzA-5td7A:
19.36
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 136
HIS A 137
ASP A 174
HIS A 176
ASP A 267
GLY A 265
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
None
 1.32A 4lxzA-5td7A:
43.4		 4lxzA-5td7A:
19.36
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 PRO A 134
GLY A 178
HIS A 176
ASP A 267
GLY A 265
 FKS  A 711 (-4.1A)
None
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
None
 1.21A 4lxzA-5td7A:
43.4		 4lxzA-5td7A:
19.36
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.
5ubu PUTATIVE
ACETAMIDASE/FORMAMID
ASE

(Yersinia
enterocolitica) 		PF03069
(FmdA_AmdA) 		5 PRO A 184
HIS A 166
GLY A 309
ASP A 217
GLY A 168
 None
None
None
NA  A 402 ( 2.3A)
NA  A 401 ( 4.5A)
 1.16A 4lxzA-5ubuA:
undetectable		 4lxzA-5ubuA:
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		5 HIS A 339
HIS A 195
GLY A 194
ASP A  36
GLY A  37
 ZN  A 501 ( 3.2A)
ZN  A 501 ( 3.2A)
None
ZN  A 502 ( 2.1A)
ZN  A 502 ( 4.6A)
 1.21A 4lxzA-5veoA:
undetectable		 4lxzA-5veoA:
21.95
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) 		7 ASP A 101
HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
GLY A 303
 None
None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
 0.94A 4lxzA-5vi6A:
55.4		 4lxzA-5vi6A:
42.82
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) 		10 ASP A 101
HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
ASP A 267
GLY A 304
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)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
 0.31A 4lxzA-5vi6A:
55.4		 4lxzA-5vi6A:
42.82
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) 		5 HIS A 142
HIS A 180
ASP A 267
GLY A 304
TYR A 306
 None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
 0.94A 4lxzA-5vi6A:
55.4		 4lxzA-5vi6A:
42.82
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS A 463
HIS A 407
GLY A 406
ASP A  17
GLY A  18
 MN  A 601 ( 3.2A)
MN  A 601 ( 3.2A)
None
MN  A 602 ( 2.2A)
None
 1.22A 4lxzA-5vpuA:
3.8		 4lxzA-5vpuA:
24.15