SIMILAR PATTERNS OF AMINO ACIDS FOR 3C0Z_B_SHHB301

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.
1bu8 PROTEIN (PANCREATIC
LIPASE RELATED
PROTEIN 2)

(Rattus
norvegicus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 ASP A 205
HIS A 263
PHE A  77
GLY A 214
 None
 0.90A 3c0zB-1bu8A:
2.1		 3c0zB-1bu8A:
23.26
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		4 HIS A 131
ASP A 168
ASP A 258
GLY A 256
 TSN  A 502 (-4.0A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 2.5A)
None
 0.85A 3c0zB-1c3rA:
39.3		 3c0zB-1c3rA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 HIS A 131
HIS A 132
ASP A 168
GLY A 294
 TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
ZN  A 501 ( 2.3A)
None
 0.80A 3c0zB-1c3rA:
39.3		 3c0zB-1c3rA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
 TSN  A 502 (-4.0A)
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)
 0.41A 3c0zB-1c3rA:
39.3		 3c0zB-1c3rA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 PHE A 198
ASP A 258
PHE A 141
ASP A 168
 TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
 0.84A 3c0zB-1c3rA:
39.3		 3c0zB-1c3rA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1icf PROTEIN (CATHEPSIN
L: HEAVY CHAIN)
PROTEIN (INVARIANT
CHAIN)

(Homo sapiens) 		PF00086
(Thyroglobulin_1)
PF00112
(Peptidase_C1) 		4 HIS A 140
PHE A 143
ASP A 162
GLY I 229
 None
 0.90A 3c0zB-1icfA:
undetectable		 3c0zB-1icfA:
18.21
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.
1kya LACCASE

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 398
HIS A  66
HIS A  64
ASP A  77
GLY A 401
 CU  A 503 ( 3.2A)
CU  A 502 (-3.3A)
CU  A 503 (-3.2A)
None
None
 1.43A 3c0zB-1kyaA:
undetectable		 3c0zB-1kyaA:
22.41
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 HIS A 462
HIS A 407
ASP A  12
GLY A  13
 MN  A 601 ( 3.3A)
MN  A 601 ( 3.2A)
2PG  A 801 ( 4.5A)
None
 0.87A 3c0zB-1o99A:
3.5		 3c0zB-1o99A:
21.31
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.
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Homo sapiens) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 HIS A 584
ASP A 568
PHE A 542
GLY A 564
 None
 0.87A 3c0zB-1pl0A:
3.1		 3c0zB-1pl0A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rp1 PANCREATIC LIPASE
RELATED PROTEIN 1

(Canis lupus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 ASP A 205
HIS A 263
PHE A  77
GLY A 214
 None
 0.91A 3c0zB-1rp1A:
undetectable		 3c0zB-1rp1A:
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.
1y9w ACETYLTRANSFERASE

(Bacillus cereus) 		PF00583
(Acetyltransf_1) 		4 HIS A  63
HIS A  65
ASP A  67
GLY A  57
 None
 0.73A 3c0zB-1y9wA:
undetectable		 3c0zB-1y9wA:
15.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		8 HIS A 142
HIS A 143
PHE A 152
ASP A 180
HIS A 182
PHE A 208
ASP A 268
GLY A 310
 3YP  A1452 (-3.3A)
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)
 0.37A 3c0zB-1zz3A:
48.3		 3c0zB-1zz3A:
33.57
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.
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
 1.35A 3c0zB-2cbnA:
undetectable		 3c0zB-2cbnA:
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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 PHE A 155
PHE A 163
ASP A 129
GLY A 138
 None
None
CU  A 402 ( 3.9A)
None
 0.83A 3c0zB-2dwsA:
undetectable		 3c0zB-2dwsA:
22.74
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.
2g39 ACETYL-COA HYDROLASE

(Pseudomonas
aeruginosa) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 HIS A 370
HIS A 415
ASP A 107
GLY A 379
 None
EDO  A 908 (-4.1A)
None
None
 0.87A 3c0zB-2g39A:
undetectable		 3c0zB-2g39A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 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  72
HIS A  74
ASP A 153
HIS A 194
GLY A 152
 FE2  A 300 (-3.3A)
None
FE2  A 300 (-3.1A)
None
None
 1.40A 3c0zB-2gcuA:
undetectable		 3c0zB-2gcuA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 HIS A 461
HIS A 406
ASP A  11
GLY A  12
 MN  A 601 (-3.4A)
MN  A 601 (-3.6A)
MN  A 701 (-2.4A)
None
 0.92A 3c0zB-2ifyA:
undetectable		 3c0zB-2ifyA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2igw PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
3

(Caenorhabditis
elegans) 		PF00160
(Pro_isomerase) 		4 HIS A  61
PHE A  74
PHE A 119
GLY A  81
 None
 0.80A 3c0zB-2igwA:
undetectable		 3c0zB-2igwA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iu3 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Gallus gallus) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 HIS A 585
ASP A 569
PHE A 543
GLY A 565
 None
 0.83A 3c0zB-2iu3A:
2.3		 3c0zB-2iu3A:
21.42
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 HIS A 366
HIS A 411
ASP A 102
GLY A 375
 HIS  A 366 ( 1.0A)
HIS  A 411 (-1.0A)
ASP  A 102 ( 0.6A)
GLY  A 375 ( 0.0A)
 0.87A 3c0zB-2nvvA:
undetectable		 3c0zB-2nvvA:
21.76
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.
2vmj DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
xylosoxidans) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 PHE A 118
PHE A 126
ASP A  92
GLY A 101
 None
None
ZN  A1328 (-4.1A)
None
 0.85A 3c0zB-2vmjA:
undetectable		 3c0zB-2vmjA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 HIS A 435
HIS A 308
ASP A  56
GLY A  57
 ZN  A1475 ( 3.2A)
ZN  A1475 ( 3.2A)
ZN  A1476 (-2.2A)
None
 0.87A 3c0zB-2x98A:
undetectable		 3c0zB-2x98A:
23.32
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASP A  25
PHE A  75
ASP A  21
GLY A  26
 CA  A 552 (-2.7A)
None
CA  A 552 (-3.1A)
None
 0.90A 3c0zB-2ze0A:
undetectable		 3c0zB-2ze0A:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		4 HIS A 362
HIS A 231
ASP A   9
GLY A  10
 ZN  A1001 ( 3.3A)
ZN  A1001 ( 3.2A)
SO4  A3004 ( 4.5A)
None
 0.91A 3c0zB-3a52A:
2.0		 3c0zB-3a52A:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 669
HIS A 670
ASP A 707
ASP A 801
GLY A 799
 TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
ZN  A 101 (-2.1A)
ZN  A 101 ( 2.5A)
None
 1.27A 3c0zB-3c10A:
67.2		 3c0zB-3c10A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 HIS A 669
HIS A 670
PHE A 679
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 (-3.9A)
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)
 0.14A 3c0zB-3c10A:
67.2		 3c0zB-3c10A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PHE A 679
ASP A 801
HIS A 709
PHE A 738
GLY A 842
 TSN  A 301 (-3.9A)
ZN  A 101 ( 2.5A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
None
 1.43A 3c0zB-3c10A:
67.2		 3c0zB-3c10A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PHE A 679
HIS A 709
PHE A 738
ASP A 801
GLY A 842
 TSN  A 301 (-3.9A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
None
 1.17A 3c0zB-3c10A:
67.2		 3c0zB-3c10A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 PHE A 738
ASP A 801
PHE A 679
ASP A 707
 TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
 0.79A 3c0zB-3c10A:
67.2		 3c0zB-3c10A:
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.
3c7o ENDO-1,4-BETA-XYLANA
SE

(Bacillus
subtilis) 		PF03422
(CBM_6)
PF04616
(Glyco_hydro_43) 		4 HIS A  20
HIS A  19
PHE A 363
GLY A  77
 None
 0.81A 3c0zB-3c7oA:
undetectable		 3c0zB-3c7oA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d34 SPONDIN-2

(Homo sapiens) 		PF06468
(Spond_N) 		4 ASP A 134
PHE A 169
ASP A 162
GLY A 164
 CA  A 228 (-2.3A)
None
CA  A 228 (-2.1A)
CA  A 228 ( 4.4A)
 0.83A 3c0zB-3d34A:
undetectable		 3c0zB-3d34A:
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		4 HIS A 465
HIS A 277
ASP A  12
GLY A  13
 ZN  A 601 ( 3.2A)
ZN  A 601 (-3.2A)
ZN  A 602 (-2.2A)
None
 0.89A 3c0zB-3e2dA:
3.1		 3c0zB-3e2dA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE

(Alcaligenes
faecalis) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 PHE A 124
PHE A 132
ASP A  98
GLY A 107
 None
None
CU  A1502 ( 4.0A)
None
 0.79A 3c0zB-3h4hA:
undetectable		 3c0zB-3h4hA:
22.07
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.
3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN

(Klebsiella
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 HIS A 153
HIS A 208
ASP A 151
HIS A 150
 None
None
NA  A 501 (-2.0A)
None
 0.85A 3c0zB-3io1A:
undetectable		 3c0zB-3io1A:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.35A 3c0zB-3kl7A:
undetectable		 3c0zB-3kl7A:
19.81
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.
3kog PUTATIVE
PORE-FORMING TOXIN

(Bacteroides
vulgatus) 		PF12985
(DUF3869) 		4 HIS A 204
HIS A 258
ASP A 149
GLY A 263
 None
 0.73A 3c0zB-3kogA:
undetectable		 3c0zB-3kogA:
18.84
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 HIS A 145
ASP A 181
ASP A 269
GLY A 267
 LLX  A 400 (-4.0A)
ZN  A 379 (-2.3A)
ZN  A 379 ( 2.5A)
None
 0.87A 3c0zB-3maxA:
42.1		 3c0zB-3maxA:
25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 145
HIS A 146
ASP A 181
PHE A 210
GLY A 305
 LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
ZN  A 379 (-2.3A)
LLX  A 400 (-3.6A)
LLX  A 400 (-3.5A)
 0.94A 3c0zB-3maxA:
42.1		 3c0zB-3maxA:
25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
 LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
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)
 0.37A 3c0zB-3maxA:
42.1		 3c0zB-3maxA:
25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 PHE A 210
ASP A 269
PHE A 155
ASP A 181
 LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
 0.90A 3c0zB-3maxA:
42.1		 3c0zB-3maxA:
25.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		7 HIS A 156
HIS A 157
PHE A 166
ASP A 192
HIS A 194
ASP A 281
GLY A 318
 SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 ( 3.7A)
 0.29A 3c0zB-3menA:
38.7		 3c0zB-3menA:
30.97
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 HIS A 495
HIS A 428
ASP A  22
GLY A  23
 CO  A 554 (-3.3A)
CO  A 554 (-3.3A)
CO  A 553 (-2.1A)
CO  A 553 ( 4.9A)
 0.90A 3c0zB-3nvlA:
3.1		 3c0zB-3nvlA:
21.67
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		4 HIS A 158
ASP A 195
ASP A 284
GLY A 282
 Q9C  A 401 (-4.2A)
ZN  A 343 (-2.3A)
ZN  A 343 (-2.7A)
None
 0.90A 3c0zB-3q9cA:
39.3		 3c0zB-3q9cA:
25.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		6 HIS A 158
ASP A 195
HIS A 197
PHE A 225
ASP A 284
GLY A 321
 Q9C  A 401 (-4.2A)
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)
 0.29A 3c0zB-3q9cA:
39.3		 3c0zB-3q9cA:
25.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 3c0zB-3r2uA:
undetectable		 3c0zB-3r2uA:
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.
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
 1.41A 3c0zB-3tp9A:
undetectable		 3c0zB-3tp9A:
22.85
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.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 HIS A  25
HIS A 123
ASP A  31
GLY A  28
 None
 0.91A 3c0zB-3twoA:
undetectable		 3c0zB-3twoA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.40A 3c0zB-3x2zA:
undetectable		 3c0zB-3x2zA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 3c0zB-3zwfA:
undetectable		 3c0zB-3zwfA:
21.51
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 HIS A 134
ASP A 170
ASP A 259
GLY A 257
 ACT  A 501 (-4.0A)
ZN  A 500 (-2.2A)
ZN  A 500 ( 2.4A)
None
 0.85A 3c0zB-4a69A:
41.3		 3c0zB-4a69A:
24.45
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 HIS A 134
HIS A 135
ASP A 170
GLY A 295
 ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
ZN  A 500 (-2.2A)
None
 0.80A 3c0zB-4a69A:
41.3		 3c0zB-4a69A:
24.45
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
 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)
 0.38A 3c0zB-4a69A:
41.3		 3c0zB-4a69A:
24.45
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 PHE A 200
ASP A 259
PHE A 144
ASP A 170
 None
ZN  A 500 ( 2.4A)
None
ZN  A 500 (-2.2A)
 0.89A 3c0zB-4a69A:
41.3		 3c0zB-4a69A:
24.45
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS B 140
HIS B 141
ASP B 176
ASP B 264
GLY B 262
 ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ZN  B 600 ( 2.5A)
None
 1.42A 3c0zB-4bkxB:
41.5		 3c0zB-4bkxB:
23.43
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 HIS B 140
HIS B 141
ASP B 176
GLY B 300
 ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
ZN  B 600 (-2.2A)
ACT  B 601 ( 4.8A)
 0.77A 3c0zB-4bkxB:
41.5		 3c0zB-4bkxB:
23.43
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
 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)
 0.37A 3c0zB-4bkxB:
41.5		 3c0zB-4bkxB:
23.43
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 PHE B 205
ASP B 264
PHE B 150
ASP B 176
 None
ZN  B 600 ( 2.5A)
None
ZN  B 600 (-2.2A)
 0.75A 3c0zB-4bkxB:
41.5		 3c0zB-4bkxB:
23.43
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		4 HIS A 141
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 0.75A 3c0zB-4bz7A:
38.7		 3c0zB-4bz7A:
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		4 HIS A 141
HIS A 142
ASP A 186
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
None
 0.75A 3c0zB-4bz7A:
38.7		 3c0zB-4bz7A:
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		8 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
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)
 0.35A 3c0zB-4bz7A:
38.7		 3c0zB-4bz7A:
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 292
PHE A 216
ASP A 285
PHE A 151
ASP A 186
 None
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
 0.98A 3c0zB-4bz7A:
38.7		 3c0zB-4bz7A:
25.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 HIS A 802
HIS A 803
PHE A 812
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)
 0.56A 3c0zB-4cbyA:
61.7		 3c0zB-4cbyA:
69.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 PHE A 871
ASP A 934
PHE A 812
ASP A 840
 KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-4.2A)
ZN  A2034 (-2.0A)
 0.90A 3c0zB-4cbyA:
61.7		 3c0zB-4cbyA:
69.03
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.
4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 HIS A  79
HIS A  81
ASP A 154
HIS A 195
GLY A 153
 FE  A 501 (-3.5A)
None
FE  A 501 (-3.1A)
None
None
 1.39A 3c0zB-4chlA:
undetectable		 3c0zB-4chlA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		4 HIS A 291
ASP A 265
PHE A 102
GLY A 318
 None
 0.87A 3c0zB-4hdsA:
2.4		 3c0zB-4hdsA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		4 HIS A 160
PHE A 108
ASP A 265
GLY A 264
 ZN  A 401 (-3.2A)
None
ZN  A 401 ( 2.5A)
None
 0.91A 3c0zB-4xukA:
undetectable		 3c0zB-4xukA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysb METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Myxococcus
xanthus) 		PF00753
(Lactamase_B) 		5 HIS A  57
HIS A  59
ASP A 129
HIS A 170
GLY A 128
 FE  A 301 (-3.4A)
None
FE  A 301 (-3.1A)
None
None
 1.43A 3c0zB-4ysbA:
undetectable		 3c0zB-4ysbA:
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.
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
 1.43A 3c0zB-4yslA:
undetectable		 3c0zB-4yslA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 8 HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
 TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 ( 4.0A)
 0.34A 3c0zB-5eduB:
54.9		 3c0zB-5eduB:
28.31
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 4 PHE B 680
ASP B 742
PHE B 620
ASP B 649
 TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
 0.82A 3c0zB-5eduB:
54.9		 3c0zB-5eduB:
28.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
 1.27A 3c0zB-5eefA:
54.7		 3c0zB-5eefA:
35.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		7 HIS A 192
HIS A 193
PHE A 202
ASP A 230
HIS A 232
ASP A 323
GLY A 361
 TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 ( 3.8A)
 0.44A 3c0zB-5eefA:
54.7		 3c0zB-5eefA:
35.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 7 HIS B 573
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
GLY B 743
 None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
 0.35A 3c0zB-5efnB:
56.1		 3c0zB-5efnB:
41.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 4 PHE B 643
ASP B 705
PHE B 583
ASP B 612
 None
ZN  B 801 (-2.6A)
None
ZN  B 801 ( 2.1A)
 0.90A 3c0zB-5efnB:
56.1		 3c0zB-5efnB:
41.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 HIS A 482
HIS A 528
ASP A 480
GLY A 499
 None
CU  A 602 (-3.0A)
None
None
 0.90A 3c0zB-5f75A:
undetectable		 3c0zB-5f75A:
22.95
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.
5fc9 BLUE (TYPE 1) COPPER
DOMAIN PROTEIN

(Nitrosopumilus
maritimus) 		PF00127
(Copper-bind) 		4 HIS A1043
HIS A1086
ASP A1039
GLY A1010
 CU  A1401 (-3.0A)
CU  A1401 (-3.1A)
None
None
 0.80A 3c0zB-5fc9A:
undetectable		 3c0zB-5fc9A:
12.74
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 573
HIS A 574
ASP A 612
ASP A 705
GLY A 703
 E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
ZN  A1804 (-2.1A)
ZN  A1804 ( 2.5A)
None
 1.31A 3c0zB-5g0hA:
56.5		 3c0zB-5g0hA:
27.02
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		8 HIS A 573
HIS A 574
PHE A 583
ASP A 612
HIS A 614
PHE A 643
ASP A 705
GLY A 743
 E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
E1Z  A1801 (-3.9A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
 0.23A 3c0zB-5g0hA:
56.5		 3c0zB-5g0hA:
27.02
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 PHE A 643
ASP A 705
PHE A 583
ASP A 612
 E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
E1Z  A1801 (-3.9A)
ZN  A1804 (-2.1A)
 0.80A 3c0zB-5g0hA:
56.5		 3c0zB-5g0hA:
27.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		6 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.33A 3c0zB-5g10A:
46.8		 3c0zB-5g10A:
31.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		8 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
 6DK  A1375 (-4.1A)
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)
 0.36A 3c0zB-5g10A:
46.8		 3c0zB-5g10A:
31.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		4 PHE A 209
ASP A 269
PHE A 153
ASP A 181
 6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
 0.90A 3c0zB-5g10A:
46.8		 3c0zB-5g10A:
31.89
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.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 4 ASP A  42
PHE A  92
ASP A  38
GLY A  43
 None
 0.90A 3c0zB-5h2tA:
undetectable		 3c0zB-5h2tA:
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.
5ikk HISTONE DEACETYLASE
CLR3

(Schizosaccharomyces
pombe) 		PF00850
(Hist_deacetyl)
PF09757
(Arb2) 		4 ASP A 234
HIS A 236
ASP A 327
GLY A 365
 ZN  A 701 ( 1.7A)
ZN  A 701 ( 3.1A)
ZN  A 701 (-2.5A)
ZN  A 701 ( 4.5A)
 0.25A 3c0zB-5ikkA:
43.4		 3c0zB-5ikkA:
26.15
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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		7 HIS A 125
HIS A 126
PHE A 135
ASP A 163
HIS A 165
ASP A 244
GLY A 286
 None
EDO  A 403 (-4.2A)
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)
 0.32A 3c0zB-5ji5A:
44.7		 3c0zB-5ji5A:
29.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8k UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Haemophilus
influenzae) 		PF00149
(Metallophos) 		4 PHE A  76
ASP A  50
PHE A  44
GLY A  86
 None
None
ACT  A 304 ( 4.9A)
None
 0.85A 3c0zB-5k8kA:
undetectable		 3c0zB-5k8kA:
17.02
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.
5lub LEGUMAIN

(Homo sapiens) 		no annotation 4 ASP B  48
HIS B  45
ASP B 231
GLY B 230
 None
SNN  B 147 (-3.3A)
3Y7  B 304 (-3.7A)
None
 0.92A 3c0zB-5lubB:
undetectable		 3c0zB-5lubB:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nmp ISATIN HYDROLASE

(Ralstonia
solanacearum) 		no annotation 5 HIS A 218
HIS A 214
PHE A 192
ASP A  80
GLY A 224
 None
SIN  A 302 (-4.2A)
None
MN  A 301 ( 2.4A)
None
 1.46A 3c0zB-5nmpA:
undetectable		 3c0zB-5nmpA:
13.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 HIS A 136
HIS A 137
ASP A 174
HIS A 176
ASP A 267
GLY A 265
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
None
 1.29A 3c0zB-5td7A:
54.3		 3c0zB-5td7A:
23.81
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		7 HIS A 136
HIS A 137
PHE A 146
ASP A 174
HIS A 176
ASP A 267
GLY A 305
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
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)
 0.32A 3c0zB-5td7A:
54.3		 3c0zB-5td7A:
23.81
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.
5u8s CELL DIVISION
CONTROL PROTEIN 45

(Saccharomyces
cerevisiae) 		PF02724
(CDC45) 		4 PHE E 625
ASP E 124
HIS E 126
GLY E  85
 None
 0.71A 3c0zB-5u8sE:
undetectable		 3c0zB-5u8sE:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.41A 3c0zB-5ve3B:
undetectable		 3c0zB-5ve3B:
22.00
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		4 HIS A 339
HIS A 195
ASP A  36
GLY A  37
 ZN  A 501 ( 3.2A)
ZN  A 501 ( 3.2A)
ZN  A 502 ( 2.1A)
ZN  A 502 ( 4.6A)
 0.90A 3c0zB-5veoA:
undetectable		 3c0zB-5veoA:
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
HIS A 143
PHE A 152
ASP A 178
GLY A 303
 None
EDO  A 410 (-4.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
None
 1.13A 3c0zB-5vi6A:
40.1		 3c0zB-5vi6A:
25.73
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		8 HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
GLY A 304
 None
EDO  A 410 (-4.4A)
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)
 0.39A 3c0zB-5vi6A:
40.1		 3c0zB-5vi6A:
25.73
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 PHE A 208
ASP A 267
PHE A 152
ASP A 178
 EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
 0.85A 3c0zB-5vi6A:
40.1		 3c0zB-5vi6A:
25.73
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 HIS A 463
HIS A 407
ASP A  17
GLY A  18
 MN  A 601 ( 3.2A)
MN  A 601 ( 3.2A)
MN  A 602 ( 2.2A)
None
 0.89A 3c0zB-5vpuA:
3.7		 3c0zB-5vpuA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wly UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Escherichia
coli) 		no annotation 4 PHE A  75
ASP A  49
PHE A  43
GLY A  85
 None
 0.81A 3c0zB-5wlyA:
undetectable		 3c0zB-5wlyA:
12.53
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 4 ASP A  27
PHE A  77
ASP A  23
GLY A  28
 MG  A 601 (-2.7A)
None
MG  A 601 (-3.1A)
None
 0.87A 3c0zB-5x7uA:
undetectable		 3c0zB-5x7uA:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B
ALTERNATIVE COMPLEX
III SUBUNIT F

(Flavobacterium
johnsoniae) 		no annotation 4 HIS F  97
ASP B 731
HIS B 732
GLY F 415
 None
 0.85A 3c0zB-6btmF:
undetectable		 3c0zB-6btmF:
10.58