SIMILAR PATTERNS OF AMINO ACIDS FOR 4BZ6_C_SHHC700_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		9 HIS A 131
HIS A 132
GLY A 140
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
 TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
 0.42A 4bz6C-1c3rA:
42.9		 4bz6C-1c3rA:
27.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4bz6C-1jpuA:
3.0		 4bz6C-1jpuA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kaq NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Bacillus
subtilis) 		PF01467
(CTP_transf_like) 		5 HIS A  18
GLY A 106
PRO A  43
HIS A  44
GLY A   9
 DND  A 601 (-4.0A)
DND  A 601 (-3.2A)
DND  A 601 (-4.5A)
DND  A 601 (-3.3A)
DND  A 601 (-2.8A)
 1.09A 4bz6C-1kaqA:
undetectable		 4bz6C-1kaqA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 HIS A 255
GLY A 276
HIS A 252
ASP A 169
GLY A 270
 None
None
ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
None
 1.19A 4bz6C-1kq3A:
3.2		 4bz6C-1kq3A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 GLY A 181
ASP A 293
HIS A  14
ASP A 292
HIS A  12
 PRH  A 401 (-4.0A)
PRH  A 401 (-3.5A)
PRH  A 401 ( 3.0A)
PRH  A 401 ( 2.5A)
ZN  A 501 ( 3.3A)
 0.90A 4bz6C-1krmA:
undetectable		 4bz6C-1krmA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4bz6C-1o99A:
3.5		 4bz6C-1o99A:
22.80
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.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 GLY A 105
HIS A  68
ASP A 285
HIS A 230
GLY A 288
 AE1  A 401 (-3.1A)
ZN  A 601 (-3.6A)
AE1  A 401 ( 2.6A)
ZN  A 602 ( 3.5A)
AE1  A 401 ( 4.1A)
 1.26A 4bz6C-1pojA:
undetectable		 4bz6C-1pojA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		6 HIS A  68
GLY A 102
ASP A 285
HIS A  70
PRO A  85
GLY A 286
 ZN  A 601 (-3.6A)
None
AE1  A 401 ( 2.6A)
ZN  A 601 ( 3.6A)
None
None
 1.46A 4bz6C-1pojA:
undetectable		 4bz6C-1pojA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.23A 4bz6C-1qwyA:
undetectable		 4bz6C-1qwyA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		10 HIS A 142
HIS A 143
GLY A 151
ASP A 180
HIS A 182
PHE A 208
ASP A 268
PRO A 274
GLY A 310
TYR A 312
 3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
3YP  A1452 (-3.4A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
3YP  A1452 (-3.6A)
ZN  A1451 ( 2.5A)
None
3YP  A1452 ( 3.7A)
3YP  A1452 (-4.6A)
 0.70A 4bz6C-1zz3A:
40.8		 4bz6C-1zz3A:
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.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
HIS A 182
ASP A 268
GLY A 311
TYR A 312
 3YP  A1452 (-3.3A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
None
3YP  A1452 (-4.6A)
 1.26A 4bz6C-1zz3A:
40.8		 4bz6C-1zz3A:
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 GLY A 214
ASP A 324
HIS A  57
ASP A 323
HIS A  55
 None
None
CO  A1000 (-3.2A)
CO  A1000 (-2.7A)
CO  A1000 (-3.3A)
 0.91A 4bz6C-2amxA:
undetectable		 4bz6C-2amxA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.22A 4bz6C-2amxA:
undetectable		 4bz6C-2amxA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gcu PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 3

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B) 		5 HIS A 128
GLY A 152
HIS A  74
ASP A  76
HIS A  77
 FE2  A 300 (-3.4A)
None
None
None
None
 1.28A 4bz6C-2gcuA:
undetectable		 4bz6C-2gcuA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jig PROLYL-4 HYDROXYLASE

(Chlamydomonas
reinhardtii) 		PF13640
(2OG-FeII_Oxy_3) 		5 GLY A 137
HIS A 135
ASP A 236
HIS A 133
GLY A 235
 None
ZN  A1253 (-3.0A)
ZN  A1253 (-2.2A)
None
None
 1.29A 4bz6C-2jigA:
undetectable		 4bz6C-2jigA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k4w SUPEROXIDE DISMUTASE
[CU-ZN]

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 HIS A  50
GLY A  72
HIS A  48
HIS A  82
GLY A 145
 CU1  A 155 (-3.3A)
None
CU1  A 155 (-3.1A)
ZN  A 156 (-3.3A)
None
 1.17A 4bz6C-2k4wA:
undetectable		 4bz6C-2k4wA:
14.67
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.
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
 1.14A 4bz6C-2xhsA:
undetectable		 4bz6C-2xhsA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 ASP A 707
HIS A 709
PHE A 738
ASP A 801
PRO A 807
GLY A 842
 ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
None
 1.07A 4bz6C-3c10A:
39.3		 4bz6C-3c10A:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 HIS A 669
HIS A 670
GLY A 678
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
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)
 0.34A 4bz6C-3c10A:
39.3		 4bz6C-3c10A:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 HIS A 669
HIS A 670
GLY A 678
ASP A 707
HIS A 709
PHE A 738
ASP A 801
PRO A 807
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
 0.85A 4bz6C-3c10A:
39.3		 4bz6C-3c10A:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 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 HIS A 669
HIS A 670
GLY A 678
ASP A 707
HIS A 709
PRO A 809
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
None
 1.37A 4bz6C-3c10A:
39.3		 4bz6C-3c10A:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 HIS A 669
HIS A 670
HIS A 709
ASP A 801
GLY A 799
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
 1.20A 4bz6C-3c10A:
39.3		 4bz6C-3c10A:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c7o ENDO-1,4-BETA-XYLANA
SE

(Bacillus
subtilis) 		PF03422
(CBM_6)
PF04616
(Glyco_hydro_43) 		5 HIS A  20
HIS A  19
PHE A 363
PRO A 380
GLY A  77
 None
 1.17A 4bz6C-3c7oA:
undetectable		 4bz6C-3c7oA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ce1 SUPEROXIDE DISMUTASE
[CU-ZN]

(Naganishia
liquefaciens) 		PF00080
(Sod_Cu) 		5 HIS A  75
HIS A  67
GLY A  86
ASP A 128
GLY A  89
 ZN  A 202 (-3.1A)
ZN  A 202 ( 3.1A)
None
None
None
 1.25A 4bz6C-3ce1A:
undetectable		 4bz6C-3ce1A:
17.85
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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 HIS A 260
GLY A 323
HIS A 232
PRO A 156
HIS A 180
 None
FLC  A 424 (-3.2A)
FLC  A 424 (-4.8A)
None
FLC  A 424 (-4.0A)
 1.21A 4bz6C-3d6nA:
undetectable		 4bz6C-3d6nA:
22.65
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 GLY A 200
ASP A 310
HIS A  44
ASP A 309
HIS A  42
 MCF  A 372 (-3.4A)
MCF  A 372 (-2.9A)
MCF  A 372 ( 3.3A)
MCF  A 372 ( 2.4A)
ZN  A 371 (-3.3A)
 0.90A 4bz6C-3ewdA:
undetectable		 4bz6C-3ewdA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.20A 4bz6C-3ewdA:
undetectable		 4bz6C-3ewdA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.30A 4bz6C-3gg2A:
undetectable		 4bz6C-3gg2A:
20.84
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		5 GLY A 300
ASP A 416
HIS A  88
ASP A 415
HIS A  86
 CFE  A 513 (-3.3A)
CFE  A 513 (-2.8A)
CFE  A 513 ( 3.3A)
CFE  A 513 ( 2.8A)
ZN  A 512 (-3.4A)
 0.90A 4bz6C-3lggA:
undetectable		 4bz6C-3lggA:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		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 4bz6C-3maxA:
52.3		 4bz6C-3maxA:
33.85
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) 		9 HIS A 145
HIS A 146
GLY A 154
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308
 LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
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)
 0.27A 4bz6C-3maxA:
52.3		 4bz6C-3maxA:
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		9 HIS A 156
HIS A 157
GLY A 165
ASP A 192
HIS A 194
ASP A 281
PRO A 287
GLY A 318
TYR A 320
 SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
SO4  A 401 (-4.9A)
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
None
SO4  A 401 ( 3.7A)
SO4  A 401 (-4.5A)
 0.59A 4bz6C-3menA:
35.7		 4bz6C-3menA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		6 HIS A 157
HIS A 194
ASP A 281
PRO A 287
GLY A 318
TYR A 320
 SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
None
SO4  A 401 ( 3.7A)
SO4  A 401 (-4.5A)
 1.50A 4bz6C-3menA:
35.7		 4bz6C-3menA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4bz6C-3nvlA:
3.5		 4bz6C-3nvlA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.25A 4bz6C-3nyyA:
undetectable		 4bz6C-3nyyA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.24A 4bz6C-3paoA:
undetectable		 4bz6C-3paoA:
22.62
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		9 HIS A 158
GLY A 167
ASP A 195
HIS A 197
PHE A 225
ASP A 284
PRO A 290
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)
None
Q9C  A 401 (-3.6A)
None
 0.65A 4bz6C-3q9cA:
35.4		 4bz6C-3q9cA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.22A 4bz6C-3q9cA:
35.4		 4bz6C-3q9cA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 158
HIS A 197
ASP A 284
PRO A 290
TYR A 323
 Q9C  A 401 (-4.2A)
ZN  A 343 (-3.4A)
ZN  A 343 (-2.7A)
None
None
 0.96A 4bz6C-3q9cA:
35.4		 4bz6C-3q9cA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		6 HIS A  56
HIS A  58
ASP A 145
HIS A 195
PHE A  61
GLY A 144
 FE  A 443 (-3.6A)
None
FE  A 443 (-3.2A)
None
None
None
 1.36A 4bz6C-3r2uA:
undetectable		 4bz6C-3r2uA:
21.21
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.
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)
 1.22A 4bz6C-3rysA:
undetectable		 4bz6C-3rysA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		5 HIS A  56
GLY A 154
HIS A 196
PHE A 149
ASP A  60
 ZN  A 472 (-3.3A)
None
None
None
ZN  A 472 ( 4.9A)
 1.22A 4bz6C-3tp9A:
undetectable		 4bz6C-3tp9A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 HIS A 281
GLY A 302
HIS A 278
ASP A 193
GLY A 296
 None
None
ZN  A 388 (-3.4A)
ZN  A 388 (-2.2A)
None
 1.24A 4bz6C-3uhjA:
3.9		 4bz6C-3uhjA:
21.60
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 ASP A 155
PHE A  89
HIS A  83
GLY A 158
TYR A 115
 None
 1.26A 4bz6C-3wj2A:
undetectable		 4bz6C-3wj2A:
21.40
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 135
GLY A 143
ASP A 170
GLY A 295
 ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
None
 0.88A 4bz6C-4a69A:
52.2		 4bz6C-4a69A:
34.59
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) 		9 HIS A 134
HIS A 135
GLY A 143
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298
 ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
 0.34A 4bz6C-4a69A:
52.2		 4bz6C-4a69A:
34.59
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 4bz6C-4a69A:
52.2		 4bz6C-4a69A:
34.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.87A 4bz6C-4bkxB:
51.6		 4bz6C-4bkxB:
30.00
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS B 140
HIS B 141
GLY B 149
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303
 ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
 0.30A 4bz6C-4bkxB:
51.6		 4bz6C-4bkxB:
30.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		6 HIS A 141
HIS A 142
ASP A 186
HIS A 188
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
 1.27A 4bz6C-4bz7A:
71.0		 4bz6C-4bz7A:
100.00
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 4bz6C-4bz7A:
71.0		 4bz6C-4bz7A:
100.00
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) 		11 HIS A 141
HIS A 142
GLY A 150
ASP A 186
HIS A 188
PHE A 216
ASP A 285
PRO A 291
HIS A 292
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
None
None
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.19A 4bz6C-4bz7A:
71.0		 4bz6C-4bz7A:
100.00
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 LYS A  20
HIS A 141
HIS A 142
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 None
B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
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)
 0.91A 4bz6C-4bz7A:
71.0		 4bz6C-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		6 LYS A  20
HIS A 142
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 None
B3N  A 700 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.25A 4bz6C-4bz7A:
71.0		 4bz6C-4bz7A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
 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)
 0.36A 4bz6C-4cbyA:
39.2		 4bz6C-4cbyA:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 HIS A 802
HIS A 803
HIS A 842
ASP A 934
GLY A 932
 KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
None
 1.24A 4bz6C-4cbyA:
39.2		 4bz6C-4cbyA:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 HIS A 135
GLY A 153
HIS A  81
ASP A  83
HIS A  84
 FE  A 501 (-3.4A)
None
None
None
None
 1.25A 4bz6C-4chlA:
undetectable		 4bz6C-4chlA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cmr GLYCOSYL
HYDROLASE/DEACETYLAS
E FAMILY PROTEIN

(Pyrococcus sp.
ST04) 		no annotation 5 HIS A   8
ASP A  78
HIS A  10
PRO A 116
HIS A 115
 None
 0.95A 4bz6C-4cmrA:
undetectable		 4bz6C-4cmrA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4efz METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Burkholderia
pseudomallei) 		PF00753
(Lactamase_B) 		5 HIS A 143
GLY A 169
HIS A  70
ASP A  72
HIS A  73
 CA  A 301 (-3.6A)
None
None
CA  A 301 ( 4.9A)
None
 1.30A 4bz6C-4efzA:
undetectable		 4bz6C-4efzA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4bz6C-4mcaA:
2.6		 4bz6C-4mcaA:
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.
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
 1.18A 4bz6C-4qpbA:
undetectable		 4bz6C-4qpbA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.22A 4bz6C-4qpbA:
undetectable		 4bz6C-4qpbA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnz CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 HIS A 339
HIS A 306
ASP A 263
HIS A 341
PRO A 258
 None
None
ZN  A 501 (-2.1A)
ZN  A 501 (-3.1A)
None
 1.25A 4bz6C-4rnzA:
undetectable		 4bz6C-4rnzA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yke MRE11

(Chaetomium
thermophilum) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 HIS A  19
HIS A 243
GLY A 263
ASP A  57
GLY A  56
 MN  A 601 (-3.4A)
MN  A 601 (-3.5A)
None
MN  A 602 ( 2.7A)
None
 1.28A 4bz6C-4ykeA:
undetectable		 4bz6C-4ykeA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysb METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Myxococcus
xanthus) 		PF00753
(Lactamase_B) 		5 HIS A 112
GLY A 128
HIS A  59
ASP A  61
HIS A  62
 FE  A 301 (-3.3A)
None
None
None
None
 1.25A 4bz6C-4ysbA:
undetectable		 4bz6C-4ysbA:
21.21
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.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		5 HIS A 149
GLY A 169
HIS A  76
ASP A  78
HIS A  79
 FE  A 301 ( 3.5A)
None
None
GSH  A 302 ( 4.4A)
None
 1.28A 4bz6C-4yslA:
undetectable		 4bz6C-4yslA:
23.21
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.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 HIS A 264
GLY A 269
ASP A 251
HIS A 249
HIS A 348
 None
None
None
ZN  A 402 (-3.2A)
ZN  A 402 (-3.3A)
 1.17A 4bz6C-4zr1A:
undetectable		 4bz6C-4zr1A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 221
ASP A 321
PHE A 239
HIS A 313
GLY A 320
 None
 1.29A 4bz6C-5bp1A:
undetectable		 4bz6C-5bp1A:
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 10 HIS B 610
HIS B 611
GLY B 619
ASP B 649
HIS B 651
PHE B 680
ASP B 742
PRO B 748
GLY B 780
TYR B 782
 TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 0.47A 4bz6C-5eduB:
40.9		 4bz6C-5eduB:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 HIS B 610
HIS B 651
ASP B 742
GLY B 781
TYR B 782
 TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 (-4.2A)
 1.23A 4bz6C-5eduB:
40.9		 4bz6C-5eduB:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 6 HIS B 611
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
 TSN  B2501 (-3.9A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 1.26A 4bz6C-5eduB:
40.9		 4bz6C-5eduB:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 192
HIS A 193
ASP A 230
ASP A 323
GLY A 321
 TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 ( 2.7A)
None
 1.30A 4bz6C-5eefA:
40.5		 4bz6C-5eefA:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		9 HIS A 192
HIS A 193
GLY A 201
ASP A 230
HIS A 232
ASP A 323
PRO A 329
GLY A 361
TYR A 363
 TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
TSN  A2002 ( 3.8A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
None
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 0.44A 4bz6C-5eefA:
40.5		 4bz6C-5eefA:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 193
HIS A 232
ASP A 323
PRO A 329
GLY A 361
TYR A 363
 TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
None
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 1.18A 4bz6C-5eefA:
40.5		 4bz6C-5eefA:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 9 HIS B 573
GLY B 582
ASP B 612
HIS B 614
PHE B 643
ASP B 705
PRO B 711
GLY B 743
TYR B 745
 None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
None
ZN  B 801 ( 4.1A)
None
 0.56A 4bz6C-5efnB:
40.7		 4bz6C-5efnB:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 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 744
TYR B 745
 None
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
None
None
 1.20A 4bz6C-5efnB:
40.7		 4bz6C-5efnB:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 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 6 HIS B 573
HIS B 614
ASP B 705
PRO B 711
GLY B 743
TYR B 745
 None
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
None
ZN  B 801 ( 4.1A)
None
 1.09A 4bz6C-5efnB:
40.7		 4bz6C-5efnB:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		10 HIS A 573
HIS A 574
GLY A 582
ASP A 612
HIS A 614
PHE A 643
ASP A 705
PRO A 711
GLY A 743
TYR A 745
 E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
E1Z  A1801 (-3.6A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
None
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 0.59A 4bz6C-5g0hA:
40.5		 4bz6C-5g0hA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 573
HIS A 574
HIS A 614
ASP A 705
GLY A 703
 E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
None
 1.22A 4bz6C-5g0hA:
40.5		 4bz6C-5g0hA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 573
HIS A 614
ASP A 705
GLY A 744
TYR A 745
 E1Z  A1801 (-3.9A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
None
E1Z  A1801 (-4.4A)
 1.21A 4bz6C-5g0hA:
40.5		 4bz6C-5g0hA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 574
HIS A 614
ASP A 705
PRO A 711
GLY A 743
TYR A 745
 E1Z  A1801 (-3.8A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
None
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 1.43A 4bz6C-5g0hA:
40.5		 4bz6C-5g0hA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		10 HIS A 143
HIS A 144
GLY A 152
ASP A 181
HIS A 183
PHE A 209
ASP A 269
PRO A 275
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.65A 4bz6C-5g10A:
40.3		 4bz6C-5g10A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		5 HIS A 143
HIS A 144
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.24A 4bz6C-5g10A:
40.3		 4bz6C-5g10A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g3f THERMUS THERMOPHILUS
MULTICOPPER OXIDASE

(Thermus
thermophilus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 444
HIS A 446
GLY A 266
HIS A  95
PRO A 100
 CU  A1463 (-3.0A)
CU  A1465 (-3.3A)
None
CU  A1463 (-4.1A)
None
 1.29A 4bz6C-5g3fA:
undetectable		 4bz6C-5g3fA:
20.57
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.
5in2 EXTRACELLULAR
SUPEROXIDE DISMUTASE
[CU-ZN]

(Onchocerca
volvulus) 		PF00080
(Sod_Cu) 		5 HIS A  71
HIS A  63
GLY A  82
ASP A 124
GLY A  85
 ZN  A 202 (-3.1A)
ZN  A 202 (-3.1A)
None
None
AZI  A 207 (-3.5A)
 1.30A 4bz6C-5in2A:
undetectable		 4bz6C-5in2A:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		8 HIS A 125
HIS A 126
GLY A 134
ASP A 163
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
EDO  A 403 (-4.2A)
EDO  A 403 (-3.6A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 0.33A 4bz6C-5ji5A:
36.6		 4bz6C-5ji5A:
23.27
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.
5kqc PEPTIDASE M23

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 157
HIS A 125
GLY A 106
ASP A  80
HIS A 159
 None
None
None
ZN  A 201 (-1.5A)
ZN  A 201 (-3.2A)
 1.19A 4bz6C-5kqcA:
undetectable		 4bz6C-5kqcA:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m3l HEMOGLOBIN CHAIN D1

(Lumbricus
terrestris) 		PF00042
(Globin) 		5 HIS D 120
ASP D  41
HIS D 117
PRO D  47
HIS D  46
 None
 1.27A 4bz6C-5m3lD:
undetectable		 4bz6C-5m3lD:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		5 HIS A 322
GLY A 283
HIS A 242
GLY A 325
TYR A 287
 None
None
None
NH3  A 505 (-3.5A)
NH3  A 504 (-4.4A)
 1.21A 4bz6C-5msyA:
undetectable		 4bz6C-5msyA:
20.52
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 HIS A 104
HIS A 286
GLY A 285
ASP A 154
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-3.5A)
MN  A 402 (-2.8A)
MN  A 401 (-2.0A)
 1.28A 4bz6C-5o25A:
undetectable		 4bz6C-5o25A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		8 HIS A 136
HIS A 137
GLY A 145
ASP A 174
HIS A 176
ASP A 267
PRO A 273
GLY A 305
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
FKS  A 711 (-4.5A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
None
FKS  A 711 (-3.2A)
 0.54A 4bz6C-5td7A:
40.1		 4bz6C-5td7A:
22.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 136
HIS A 137
HIS A 176
ASP A 267
GLY A 265
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
None
 1.20A 4bz6C-5td7A:
40.1		 4bz6C-5td7A:
22.21
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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 5 HIS B 114
GLY B 132
HIS B  60
ASP B  62
HIS B  63
 FE  B 500 (-3.3A)
None
None
None
None
 1.27A 4bz6C-5ve3B:
undetectable		 4bz6C-5ve3B:
23.08
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 143
GLY A 151
ASP A 178
GLY A 303
 None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
ZN  A 401 ( 2.3A)
None
 0.85A 4bz6C-5vi6A:
54.0		 4bz6C-5vi6A:
38.60
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 HIS A 142
HIS A 143
GLY A 151
ASP A 178
HIS A 180
PHE A 208
ASP A 267
PRO A 273
GLY A 304
TYR A 306
 None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
 0.33A 4bz6C-5vi6A:
54.0		 4bz6C-5vi6A:
38.60
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) 		6 HIS A 142
HIS A 180
ASP A 267
PRO A 273
GLY A 304
TYR A 306
 None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
 1.01A 4bz6C-5vi6A:
54.0		 4bz6C-5vi6A:
38.60
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 LYS A  33
HIS A 142
HIS A 143
ASP A 178
HIS A 180
PHE A 208
ASP A 267
PRO A 273
GLY A 304
TYR A 306
 None
None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
 0.57A 4bz6C-5vi6A:
54.0		 4bz6C-5vi6A:
38.60
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) 		6 LYS A  33
HIS A 143
HIS A 180
ASP A 267
PRO A 273
TYR A 306
 None
EDO  A 410 (-4.4A)
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.6A)
EDO  A 407 ( 3.3A)
 1.27A 4bz6C-5vi6A:
54.0		 4bz6C-5vi6A:
38.60
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.
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 4bz6C-5xn8A:
2.9		 4bz6C-5xn8A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yh1 -

(-) 		no annotation 5 GLY A 525
ASP A 364
ASP A 436
HIS A 462
GLY A 367
 None
MN  A 805 ( 4.7A)
MN  A 805 (-2.5A)
MN  A 805 (-3.6A)
None
 1.10A 4bz6C-5yh1A:
undetectable		 4bz6C-5yh1A:
undetectable