SIMILAR PATTERNS OF AMINO ACIDS FOR 4LXZ_C_SHHC406_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) 		11 PRO A  22
HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
 TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
 0.38A 4lxzC-1c3rA:
48.4		 4lxzC-1c3rA:
34.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 PRO A 108
HIS A 160
HIS A 161
ASP A  82
GLY A  85
 None
MN  A1434 (-3.4A)
MN  A1434 (-4.3A)
MN  A1434 ( 4.4A)
None
 1.13A 4lxzC-1ir6A:
undetectable		 4lxzC-1ir6A:
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 PRO A 315
GLY A 309
HIS A 265
ASP A  82
TYR A  83
 None
None
HEM  A 800 (-3.8A)
None
None
 1.21A 4lxzC-1itkA:
undetectable		 4lxzC-1itkA:
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.
1jpu GLYCEROL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00465
(Fe-ADH) 		5 HIS A 259
GLY A 281
HIS A 256
ASP A 173
GLY A 275
 None
None
ZN  A 371 (-3.2A)
ZN  A 371 (-2.1A)
None
 1.23A 4lxzC-1jpuA:
undetectable		 4lxzC-1jpuA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 978
HIS A 103
HIS A 101
GLY A 981
TYR A 107
 CU  A1052 ( 3.2A)
CU  A1051 (-3.3A)
CU  A1052 (-3.2A)
O  A1058 ( 4.9A)
None
 1.22A 4lxzC-1kcwA:
undetectable		 4lxzC-1kcwA:
16.83
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.
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
 1.15A 4lxzC-1o99A:
2.3		 4lxzC-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)
 1.17A 4lxzC-1qwyA:
undetectable		 4lxzC-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
 1.22A 4lxzC-1sddA:
undetectable		 4lxzC-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) 		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)
 1.43A 4lxzC-1zz3A:
44.4		 4lxzC-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) 		10 HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 180
HIS A 182
PHE A 208
ASP A 268
GLY A 310
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 ( 3.7A)
3YP  A1452 (-4.6A)
 0.51A 4lxzC-1zz3A:
44.4		 4lxzC-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
 1.20A 4lxzC-2amxA:
undetectable		 4lxzC-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)
 1.03A 4lxzC-2x98A:
3.2		 4lxzC-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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 HIS A 435
HIS A 308
GLY A 307
ASP A  56
GLY A  57
 ZN  A1475 ( 3.2A)
ZN  A1475 ( 3.2A)
None
ZN  A1476 (-2.2A)
None
 1.21A 4lxzC-2x98A:
3.2		 4lxzC-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 4lxzC-2xhsA:
undetectable		 4lxzC-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
 0.96A 4lxzC-2yg6A:
undetectable		 4lxzC-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)
 1.20A 4lxzC-2yheA:
undetectable		 4lxzC-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) 		11 PRO A 542
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
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)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
 0.49A 4lxzC-3c10A:
42.1		 4lxzC-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) 		7 PRO A 542
ASP A 626
PHE A 679
HIS A 709
PHE A 738
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)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
 1.20A 4lxzC-3c10A:
42.1		 4lxzC-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
 1.13A 4lxzC-3ewbX:
undetectable		 4lxzC-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)
 1.16A 4lxzC-3ewdA:
undetectable		 4lxzC-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.
3gg2 SUGAR DEHYDROGENASE,
UDP-GLUCOSE/GDP-MANN
OSE DEHYDROGENASE
FAMILY

(Porphyromonas
gingivalis) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A 401
ASP A 493
HIS A 467
PHE A 474
GLY A 494
 None
 1.22A 4lxzC-3gg2A:
undetectable		 4lxzC-3gg2A:
20.21
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.
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)
 1.01A 4lxzC-3higA:
undetectable		 4lxzC-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
 1.20A 4lxzC-3igzB:
3.1		 4lxzC-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) 		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)
 0.82A 4lxzC-3maxA:
67.5		 4lxzC-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) 		12 PRO A  34
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
GLY A 306
TYR A 308
 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)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
 0.24A 4lxzC-3maxA:
67.5		 4lxzC-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)
 0.37A 4lxzC-3menA:
38.4		 4lxzC-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
 1.22A 4lxzC-3mgwA:
undetectable		 4lxzC-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.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Archaeoglobus
fulgidus) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 PRO A 220
GLY A 306
ASP A 240
PHE A 330
GLY A 302
 None
 1.12A 4lxzC-3mm5A:
undetectable		 4lxzC-3mm5A:
20.39
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.
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)
 1.17A 4lxzC-3nvlA:
undetectable		 4lxzC-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
 1.18A 4lxzC-3nyyA:
undetectable		 4lxzC-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
 1.09A 4lxzC-3o8oB:
undetectable		 4lxzC-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 4lxzC-3paoA:
undetectable		 4lxzC-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) 		8 HIS A 158
GLY A 167
ASP A 195
HIS A 197
PHE A 225
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)
Q9C  A 401 (-3.8A)
ZN  A 343 (-2.7A)
Q9C  A 401 (-3.6A)
None
 0.43A 4lxzC-3q9cA:
38.2		 4lxzC-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 321
TYR A 323
 Q9C  A 401 (-4.2A)
ZN  A 343 (-3.4A)
ZN  A 343 (-2.7A)
Q9C  A 401 (-3.6A)
None
 1.03A 4lxzC-3q9cA:
38.2		 4lxzC-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 4lxzC-3rysA:
undetectable		 4lxzC-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.
3v5n OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 PRO A 119
GLY A 211
ASP A 243
PHE A 377
GLY A 205
 None
 1.20A 4lxzC-3v5nA:
undetectable		 4lxzC-3v5nA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.06A 4lxzC-3zizA:
undetectable		 4lxzC-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 4lxzC-4a69A:
64.1		 4lxzC-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 ASP A  93
HIS A 172
PHE A 144
ASP A 264
GLY A 297
 None
ZN  A 500 (-3.1A)
None
None
None
 1.22A 4lxzC-4a69A:
64.1		 4lxzC-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)
 0.95A 4lxzC-4a69A:
64.1		 4lxzC-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 PRO A  23
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
GLY A 296
TYR A 298
 None
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 (-3.0A)
ACT  A 501 (-4.7A)
 0.33A 4lxzC-4a69A:
64.1		 4lxzC-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 PRO A  23
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)
 1.21A 4lxzC-4a69A:
64.1		 4lxzC-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)
 1.07A 4lxzC-4a69A:
64.1		 4lxzC-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
 0.96A 4lxzC-4amfA:
undetectable		 4lxzC-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) 		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
 1.28A 4lxzC-4bkxB:
65.5		 4lxzC-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 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)
 1.20A 4lxzC-4bkxB:
65.5		 4lxzC-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)
 0.89A 4lxzC-4bkxB:
65.5		 4lxzC-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) 		9 PRO B  29
ASP B  99
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
 None
None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
 0.64A 4lxzC-4bkxB:
65.5		 4lxzC-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
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
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 (-3.4A)
ACT  B 601 ( 4.7A)
 0.28A 4lxzC-4bkxB:
65.5		 4lxzC-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)
 1.20A 4lxzC-4bkxB:
65.5		 4lxzC-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) 		9 ASP A 100
HIS A 141
GLY A 150
PHE A 151
ASP A 186
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 ( 3.6A)
B3N  A 700 (-3.9A)
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)
 0.65A 4lxzC-4bz7A:
52.8		 4lxzC-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 ASP A 191
GLY A 190
ASP A 285
HIS A 188
GLY A 339
 None
None
ZN  A 500 ( 2.5A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 4.1A)
 1.23A 4lxzC-4bz7A:
52.8		 4lxzC-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
 0.86A 4lxzC-4bz7A:
52.8		 4lxzC-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) 		10 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
HIS A 188
PHE A 216
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)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.20A 4lxzC-4bz7A:
52.8		 4lxzC-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) 		9 PRO A 676
HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
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)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
 0.44A 4lxzC-4cbyA:
42.4		 4lxzC-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) 		8 PRO A 676
HIS A 802
HIS A 803
GLY A 811
PHE A 812
ASP A 840
PHE A 871
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 (-3.8A)
KEE  A2033 (-3.6A)
 0.61A 4lxzC-4cbyA:
42.4		 4lxzC-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.
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)
 1.16A 4lxzC-4keqA:
undetectable		 4lxzC-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)
 1.21A 4lxzC-4lr2A:
undetectable		 4lxzC-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.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		5 HIS A 257
GLY A 278
HIS A 254
ASP A 171
GLY A 272
 None
None
ZN  A1000 (-3.1A)
ZN  A1000 (-2.1A)
None
 1.21A 4lxzC-4mcaA:
undetectable		 4lxzC-4mcaA:
19.42
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.
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
 1.20A 4lxzC-4qaxA:
2.5		 4lxzC-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
 1.21A 4lxzC-4qpbA:
undetectable		 4lxzC-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)
 1.16A 4lxzC-4qpbA:
undetectable		 4lxzC-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
 1.13A 4lxzC-4ru5A:
undetectable		 4lxzC-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
 1.16A 4lxzC-5cx0A:
undetectable		 4lxzC-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 7 ASP B 567
HIS B 610
HIS B 611
GLY B 619
ASP B 649
HIS B 651
PHE B 680
 None
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
 1.43A 4lxzC-5eduB:
43.7		 4lxzC-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 HIS B 611
HIS B 651
ASP B 742
GLY B 780
TYR B 782
 TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 1.03A 4lxzC-5eduB:
43.7		 4lxzC-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 PRO B 501
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
 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)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 0.41A 4lxzC-5eduB:
43.7		 4lxzC-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 4lxzC-5eduB:
43.7		 4lxzC-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)
 1.15A 4lxzC-5eduB:
43.7		 4lxzC-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)
 1.27A 4lxzC-5eefA:
43.4		 4lxzC-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) 		10 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
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)
 0.48A 4lxzC-5eefA:
43.4		 4lxzC-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) 		6 PRO A  83
HIS A 192
HIS A 232
ASP A 323
GLY A 361
TYR A 363
 None
TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 1.16A 4lxzC-5eefA:
43.4		 4lxzC-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 232
ASP A 323
GLY A 362
TYR A 363
 None
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
None
TSN  A2002 (-4.3A)
 1.12A 4lxzC-5eefA:
43.4		 4lxzC-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 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
 1.06A 4lxzC-5efnB:
43.7		 4lxzC-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 PRO B 464
HIS B 573
GLY B 582
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
GLY B 743
TYR B 745
 None
None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
None
 0.43A 4lxzC-5efnB:
43.7		 4lxzC-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 PRO B 464
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
 1.14A 4lxzC-5efnB:
43.7		 4lxzC-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 PRO B 570
HIS B 614
GLY B 582
ASP B 705
GLY B 743
 None
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
 1.23A 4lxzC-5efnB:
43.7		 4lxzC-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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		5 HIS A 354
HIS A 197
GLY A 196
ASP A  32
GLY A  33
 ZN  A 508 (-3.3A)
ZN  A 508 ( 3.2A)
None
ZN  A 509 (-1.9A)
None
 1.23A 4lxzC-5egeA:
2.9		 4lxzC-5egeA:
21.49
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		11 PRO A 464
HIS A 573
HIS A 574
GLY A 582
PHE A 583
ASP A 612
HIS A 614
PHE A 643
ASP A 705
GLY A 743
TYR A 745
 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)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 0.39A 4lxzC-5g0hA:
43.8		 4lxzC-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 4lxzC-5g0hA:
43.8		 4lxzC-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) 		5 PRO A 464
HIS A 614
ASP A 705
GLY A 744
TYR A 745
 None
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
None
E1Z  A1801 (-4.4A)
 1.18A 4lxzC-5g0hA:
43.8		 4lxzC-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) 		5 PRO A 570
HIS A 614
GLY A 582
ASP A 705
GLY A 743
 None
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
 1.23A 4lxzC-5g0hA:
43.8		 4lxzC-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 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
GLY A 311
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 (-3.3A)
6DK  A1375 (-4.4A)
 0.55A 4lxzC-5g10A:
44.7		 4lxzC-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)
 1.19A 4lxzC-5g10A:
44.7		 4lxzC-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
 1.15A 4lxzC-5i2bA:
undetectable		 4lxzC-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) 		11 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
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 4lxzC-5ji5A:
39.8		 4lxzC-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) 		6 PRO A  21
HIS A 126
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
EDO  A 403 (-4.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 1.11A 4lxzC-5ji5A:
39.8		 4lxzC-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
 1.19A 4lxzC-5kgnA:
3.2		 4lxzC-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.
5kob PEPTIDE DEFORMYLASE

(Paraburkholderia
xenovorans) 		PF01327
(Pep_deformylase) 		5 PRO A 152
GLY A 162
PHE A 161
GLY A  98
TYR A 151
 None
None
None
FMT  A 202 ( 4.3A)
None
 1.20A 4lxzC-5kobA:
undetectable		 4lxzC-5kobA:
18.82
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.
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)
 1.16A 4lxzC-5kqcA:
undetectable		 4lxzC-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.
5o1r GNA2132

(Neisseria
meningitidis) 		no annotation 5 ASP A 356
GLY A 338
HIS A 325
GLY A 418
TYR A 405
 None
 1.08A 4lxzC-5o1rA:
undetectable		 4lxzC-5o1rA:
13.73
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.
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)
 0.61A 4lxzC-5td7A:
43.4		 4lxzC-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 4lxzC-5ubuA:
undetectable		 4lxzC-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.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Homo sapiens) 		PF01663
(Phosphodiest) 		5 HIS A 339
HIS A 195
GLY A 194
ASP A  36
GLY A  37
 ZN  A 502 (-3.2A)
ZN  A 502 (-3.2A)
None
ZN  A 501 (-2.0A)
ZN  A 501 ( 4.9A)
 1.22A 4lxzC-5vemA:
undetectable		 4lxzC-5vemA:
19.27
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.
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)
 1.20A 4lxzC-5veoA:
undetectable		 4lxzC-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
 0.96A 4lxzC-5vi6A:
55.8		 4lxzC-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) 		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
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)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
 0.33A 4lxzC-5vi6A:
55.8		 4lxzC-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)
 0.96A 4lxzC-5vi6A:
55.8		 4lxzC-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
 1.21A 4lxzC-5vpuA:
3.9		 4lxzC-5vpuA:
24.15
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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 HIS A 257
GLY A 278
HIS A 254
ASP A 171
GLY A 272
 None
None
ZN  A 401 (-3.4A)
ZN  A 401 (-2.3A)
None
 1.22A 4lxzC-5xn8A:
2.0		 4lxzC-5xn8A:
22.06