SIMILAR PATTERNS OF AMINO ACIDS FOR 4BZ6_D_SHHD700

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) 		7 HIS A 131
HIS A 132
ASP A 168
HIS A 170
ASP A 258
GLY A 295
TYR A 297
 TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
ZN  A 501 ( 2.5A)
ZN  A 501 ( 4.1A)
TSN  A 502 (-4.3A)
 0.29A 4bz6D-1c3rA:
43.1		 4bz6D-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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		5 HIS A 317
HIS A 320
PRO A  90
HIS A 432
GLY A  43
 PHE  A 802 (-4.0A)
ZN  A 901 ( 3.3A)
None
ZN  A 901 ( 3.2A)
ZN  A 902 ( 4.9A)
 1.43A 4bz6D-1zefA:
2.3		 4bz6D-1zefA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		8 HIS A 142
HIS A 143
ASP A 180
HIS A 182
ASP A 268
PRO A 274
GLY A 310
TYR A 312
 3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
None
3YP  A1452 ( 3.7A)
3YP  A1452 (-4.6A)
 0.62A 4bz6D-1zz3A:
40.8		 4bz6D-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)
 1.27A 4bz6D-1zz3A:
40.8		 4bz6D-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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 HIS A  69
HIS A  64
ASP A  68
HIS A  66
GLY A  67
 ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
ZN  A 402 (-2.6A)
ZN  A 401 (-3.2A)
None
 1.38A 4bz6D-2cbnA:
undetectable		 4bz6D-2cbnA:
21.65
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.
2f4p HYPOTHETICAL PROTEIN
TM1010

(Thermotoga
maritima) 		PF07883
(Cupin_2) 		5 HIS A  93
HIS A  52
HIS A  95
HIS A 105
TYR A  39
 None
UNL  A 136 (-3.3A)
UNL  A 136 (-3.9A)
None
UNL  A 136 (-3.5A)
 1.47A 4bz6D-2f4pA:
undetectable		 4bz6D-2f4pA:
15.80
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 HIS A 669
HIS A 670
ASP A 707
HIS A 709
ASP A 801
GLY A 841
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
TSN  A 301 ( 3.9A)
 0.25A 4bz6D-3c10A:
39.5		 4bz6D-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
ASP A 707
HIS A 709
ASP A 801
PRO A 807
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
ZN  A 101 ( 2.5A)
None
 0.80A 4bz6D-3c10A:
39.5		 4bz6D-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
ASP A 707
HIS A 709
PRO A 809
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
None
 1.43A 4bz6D-3c10A:
39.5		 4bz6D-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
 1.21A 4bz6D-3c10A:
39.5		 4bz6D-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.
3ib7 ICC PROTEIN

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		5 HIS A 140
HIS A  98
ASP A  66
HIS A  23
TYR A  32
 BTB  A 777 (-4.0A)
ACT  A 666 ( 3.9A)
None
FE  A 444 ( 3.4A)
None
 1.39A 4bz6D-3ib7A:
2.2		 4bz6D-3ib7A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 HIS A  84
HIS A  79
ASP A  83
HIS A  81
GLY A  82
 ZN  A 303 (-3.4A)
ZN  A 302 (-3.5A)
ZN  A 303 (-2.7A)
ZN  A 302 (-3.4A)
None
 1.38A 4bz6D-3kl7A:
undetectable		 4bz6D-3kl7A:
19.08
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
ASP A 181
ASP A 269
GLY A 267
 LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 ( 2.5A)
None
 1.32A 4bz6D-3maxA:
52.5		 4bz6D-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) 		7 HIS A 145
HIS A 146
ASP A 181
HIS A 183
ASP A 269
GLY A 306
TYR A 308
 LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
 0.23A 4bz6D-3maxA:
52.5		 4bz6D-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) 		8 HIS A 156
HIS A 157
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)
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)
 0.63A 4bz6D-3menA:
35.8		 4bz6D-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) 		5 HIS A 156
HIS A 194
ASP A 281
GLY A 319
TYR A 320
 SO4  A 401 (-3.6A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
None
SO4  A 401 (-4.5A)
 1.25A 4bz6D-3menA:
35.8		 4bz6D-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.
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 4bz6D-3paoA:
undetectable		 4bz6D-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) 		7 HIS A 158
ASP A 195
HIS A 197
ASP A 284
PRO A 290
GLY A 321
TYR A 323
 Q9C  A 401 (-4.2A)
ZN  A 343 (-2.3A)
ZN  A 343 (-3.4A)
ZN  A 343 (-2.7A)
None
Q9C  A 401 (-3.6A)
None
 0.55A 4bz6D-3q9cA:
35.4		 4bz6D-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
 1.24A 4bz6D-3q9cA:
35.4		 4bz6D-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
 0.98A 4bz6D-3q9cA:
35.4		 4bz6D-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) 		5 HIS A  56
HIS A  58
ASP A 145
HIS A 195
GLY A 144
 FE  A 443 (-3.6A)
None
FE  A 443 (-3.2A)
None
None
 1.41A 4bz6D-3r2uA:
undetectable		 4bz6D-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.
3rqz METALLOPHOSPHOESTERA
SE

(Sphaerobacter
thermophilus) 		PF12850
(Metallophos_2) 		5 HIS A  10
HIS A 149
ASP A  34
PRO A 120
GLY A  33
 ZN  A 301 (-3.4A)
ZN  A 301 (-3.5A)
ZN  A 301 ( 3.2A)
None
None
 1.46A 4bz6D-3rqzA:
undetectable		 4bz6D-3rqzA:
19.87
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.
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 4bz6D-3rysA:
undetectable		 4bz6D-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
HIS A  58
ASP A 146
HIS A 196
GLY A 145
 ZN  A 472 (-3.3A)
None
ZN  A 472 (-3.1A)
None
None
 1.43A 4bz6D-3tp9A:
2.2		 4bz6D-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.
3x2z UPF0173
METAL-DEPENDENT
HYDROLASE TM_1162

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		5 HIS A  53
HIS A  48
ASP A  52
HIS A  50
GLY A  51
 NI  A 302 (-3.6A)
NI  A 301 (-3.5A)
NI  A 302 (-2.7A)
NI  A 301 (-3.3A)
None
 1.44A 4bz6D-3x2zA:
undetectable		 4bz6D-3x2zA:
18.00
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		5 HIS A  67
HIS A  62
ASP A  66
HIS A  64
GLY A  65
 ZN  A1363 (-3.4A)
ZN  A1364 (-3.5A)
ZN  A1363 ( 2.6A)
ZN  A1364 ( 3.2A)
None
 1.33A 4bz6D-3zwfA:
undetectable		 4bz6D-3zwfA:
21.68
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
ASP A 170
ASP A 259
GLY A 257
 ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 ( 2.4A)
None
 1.41A 4bz6D-4a69A:
52.4		 4bz6D-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) 		7 HIS A 134
HIS A 135
ASP A 170
HIS A 172
ASP A 259
GLY A 296
TYR A 298
 ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-3.0A)
ACT  A 501 (-4.7A)
 0.25A 4bz6D-4a69A:
52.4		 4bz6D-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)
 0.96A 4bz6D-4a69A:
52.4		 4bz6D-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) 		7 HIS B 140
HIS B 141
ASP B 176
HIS B 178
ASP B 264
GLY B 301
TYR B 303
 ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.7A)
 0.27A 4bz6D-4bkxB:
51.9		 4bz6D-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) 		5 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.26A 4bz6D-4bz7A:
74.9		 4bz6D-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 HIS A 141
HIS A 142
ASP A 186
HIS A 188
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)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
None
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.14A 4bz6D-4bz7A:
74.9		 4bz6D-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
PRO A 291
HIS A 292
 None
B3N  A 700 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
None
 1.16A 4bz6D-4bz7A:
74.9		 4bz6D-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) 		6 HIS A 802
HIS A 803
ASP A 840
HIS A 842
ASP A 934
GLY A 974
 KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
 0.26A 4bz6D-4cbyA:
39.5		 4bz6D-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
 1.25A 4bz6D-4cbyA:
39.5		 4bz6D-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.
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
 1.00A 4bz6D-4cmrA:
undetectable		 4bz6D-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.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		5 HIS A 175
ASP A 242
HIS A 161
ASP A 244
PRO A 248
 UNK  A 407 ( 3.8A)
MN  A 401 ( 2.8A)
MN  A 401 (-3.4A)
MN  A 401 (-2.0A)
None
 1.43A 4bz6D-4dz4A:
11.3		 4bz6D-4dz4A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 HIS A1134
ASP A1065
PRO A1026
HIS A1027
GLY A1132
 None
MN  A1501 ( 3.0A)
None
MN  A1502 (-3.5A)
None
 1.43A 4bz6D-4fbqA:
undetectable		 4bz6D-4fbqA:
22.96
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.
4fcx DNA REPAIR PROTEIN
RAD32

(Schizosaccharomyces
pombe) 		no annotation 5 HIS B 134
ASP B  65
PRO B  26
HIS B  27
GLY B 132
 None
MN  B 502 ( 3.0A)
None
MN  B 501 (-3.7A)
None
 1.50A 4bz6D-4fcxB:
undetectable		 4bz6D-4fcxB:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		5 HIS A 360
HIS A 329
ASP A 283
HIS A 362
TYR A 270
 None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
None
 1.20A 4bz6D-4qpbA:
undetectable		 4bz6D-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
 1.27A 4bz6D-4rnzA:
undetectable		 4bz6D-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.
4ug4 CHOLINE SULFATASE

(Sinorhizobium
meliloti) 		PF00884
(Sulfatase)
PF12411
(Choline_sulf_C) 		5 HIS A 297
ASP A  14
PRO A 124
HIS A 104
TYR A 123
 MN  A1513 (-3.5A)
MN  A1513 (-2.4A)
None
None
None
 1.36A 4bz6D-4ug4A:
undetectable		 4bz6D-4ug4A:
22.57
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.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		5 HIS A  74
HIS A  76
ASP A 170
HIS A 212
GLY A 169
 FE  A 301 (-3.4A)
None
FE  A 301 ( 3.1A)
GSH  A 302 ( 4.8A)
None
 1.46A 4bz6D-4yslA:
undetectable		 4bz6D-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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 HIS B 610
HIS B 611
ASP B 649
ASP B 742
GLY B 740
 TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 ( 2.7A)
None
 1.32A 4bz6D-5eduB:
41.1		 4bz6D-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 8 HIS B 610
HIS B 611
ASP B 649
HIS B 651
ASP B 742
PRO B 748
GLY B 780
TYR B 782
 TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
None
TSN  B2501 ( 4.0A)
TSN  B2501 (-4.2A)
 0.38A 4bz6D-5eduB:
41.1		 4bz6D-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)
 1.24A 4bz6D-5eduB:
41.1		 4bz6D-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)
 1.27A 4bz6D-5eduB:
41.1		 4bz6D-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
 1.29A 4bz6D-5eefA:
40.7		 4bz6D-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) 		8 HIS A 192
HIS A 193
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)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
None
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 0.36A 4bz6D-5eefA:
40.7		 4bz6D-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) 		5 HIS A 192
HIS A 232
ASP A 323
GLY A 362
TYR A 363
 TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
None
TSN  A2002 (-4.3A)
 1.22A 4bz6D-5eefA:
40.7		 4bz6D-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)
 1.19A 4bz6D-5eefA:
40.7		 4bz6D-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 7 HIS B 573
ASP B 612
HIS B 614
ASP B 705
PRO B 711
GLY B 743
TYR B 745
 None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
None
ZN  B 801 ( 4.1A)
None
 0.39A 4bz6D-5efnB:
40.8		 4bz6D-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
 1.21A 4bz6D-5efnB:
40.8		 4bz6D-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
 1.10A 4bz6D-5efnB:
40.8		 4bz6D-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) 		8 HIS A 573
HIS A 574
ASP A 612
HIS A 614
ASP A 705
PRO A 711
GLY A 743
TYR A 745
 E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
None
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 0.58A 4bz6D-5g0hA:
40.9		 4bz6D-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
 1.23A 4bz6D-5g0hA:
40.9		 4bz6D-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)
 1.22A 4bz6D-5g0hA:
40.9		 4bz6D-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)
 1.44A 4bz6D-5g0hA:
40.9		 4bz6D-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) 		8 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
PRO A 275
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.59A 4bz6D-5g10A:
40.6		 4bz6D-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 4bz6D-5g10A:
40.6		 4bz6D-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 183
ASP A 269
GLY A 312
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.25A 4bz6D-5g10A:
40.6		 4bz6D-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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 ASP A  81
ASP A  83
PRO A  21
HIS A  20
GLY A 134
 None
EDO  A 403 ( 4.6A)
None
None
EDO  A 403 (-3.6A)
 1.46A 4bz6D-5ji5A:
36.8		 4bz6D-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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		7 HIS A 125
HIS A 126
ASP A 163
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
EDO  A 403 (-4.2A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 0.25A 4bz6D-5ji5A:
36.8		 4bz6D-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.
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
 1.31A 4bz6D-5m3lD:
undetectable		 4bz6D-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.
5mew LACCASE 2

(Steccherinum
murashkinskyi) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 110
HIS A  65
ASP A  78
PRO A 448
GLY A  79
 CU  A 502 (-3.1A)
CU  A 503 (-3.1A)
None
None
None
 1.42A 4bz6D-5mewA:
undetectable		 4bz6D-5mewA:
21.40
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.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 5 HIS A  51
ASP A 310
ASP A 308
PRO A 236
HIS A 272
 None
FE2  A 502 ( 3.9A)
FE2  A 502 (-3.2A)
None
FE2  A 502 (-3.6A)
 1.42A 4bz6D-5nhbA:
undetectable		 4bz6D-5nhbA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		7 HIS A 136
HIS A 137
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)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
None
FKS  A 711 (-3.2A)
 0.51A 4bz6D-5td7A:
40.5		 4bz6D-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
 1.21A 4bz6D-5td7A:
40.5		 4bz6D-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  58
HIS B  60
ASP B 133
HIS B 174
GLY B 132
 FE  B 500 (-3.3A)
None
FE  B 500 (-3.1A)
None
None
 1.45A 4bz6D-5ve3B:
undetectable		 4bz6D-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) 		8 HIS A 142
HIS A 143
ASP A 178
HIS A 180
ASP A 267
PRO A 273
GLY A 304
TYR A 306
 None
EDO  A 410 (-4.4A)
ZN  A 401 ( 2.3A)
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)
 0.26A 4bz6D-5vi6A:
54.3		 4bz6D-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)
 1.03A 4bz6D-5vi6A:
54.3		 4bz6D-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.
6ch0 -

(-) 		no annotation 5 ASP C 122
HIS C 120
ASP C 220
HIS C 198
TYR C 223
 CO  C 301 ( 2.6A)
CO  C 302 ( 3.1A)
CO  C 301 (-2.1A)
CO  C 302 ( 3.4A)
GOL  C 306 (-4.6A)
 1.27A 4bz6D-6ch0C:
undetectable		 4bz6D-6ch0C:
undetectable