SIMILAR PATTERNS OF AMINO ACIDS FOR 1ZZ1_A_SHHA2452_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
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297
 TSN  A 502 (-4.0A)
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)
TSN  A 502 (-4.3A)
 0.49A 1zz1A-1c3rA:
41.7		 1zz1A-1c3rA:
27.70
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 978
HIS A 103
HIS A 101
GLY A 981
TYR A 107
 CU  A1052 ( 3.2A)
CU  A1051 (-3.3A)
CU  A1052 (-3.2A)
O  A1058 ( 4.9A)
None
 1.20A 1zz1A-1kcwA:
undetectable		 1zz1A-1kcwA:
15.97
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 LEU A 103
HIS A  12
HIS A 211
ASP A 292
ASP A 293
 PRH  A 401 (-4.4A)
ZN  A 501 ( 3.3A)
ZN  A 501 ( 3.4A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 1.21A 1zz1A-1krmA:
undetectable		 1zz1A-1krmA:
23.04
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 LEU A  81
HIS A  55
HIS A 200
ASP A 279
GLY A 280
 None
NI  A9001 (-3.3A)
NI  A9001 (-3.4A)
NI  A9001 (-2.6A)
None
 1.21A 1zz1A-1p1mA:
undetectable		 1zz1A-1p1mA:
23.19
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		5 LEU A 110
ILE A 143
HIS A 147
ASP A 255
GLY A 254
 None
None
ZN  A 402 (-3.5A)
ZN  A 401 ( 2.2A)
None
 0.97A 1zz1A-1p9eA:
undetectable		 1zz1A-1p9eA:
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.
1qwy PEPTIDOGLYCAN
HYDROLASE

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 291
HIS A 260
ASP A 214
HIS A 293
TYR A 204
 None
None
ZN  A 400 (-2.2A)
ZN  A 400 (-3.1A)
None
 1.23A 1zz1A-1qwyA:
undetectable		 1zz1A-1qwyA:
19.74
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A 152
ILE A 219
HIS A  14
PHE A  13
GLY A 229
 LEU  A 152 ( 0.6A)
ILE  A 219 ( 0.7A)
HIS  A  14 ( 1.0A)
PHE  A  13 ( 1.3A)
GLY  A 229 ( 0.0A)
 0.99A 1zz1A-1wsvA:
undetectable		 1zz1A-1wsvA:
22.11
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) 		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)
 1.24A 1zz1A-1zz3A:
71.3		 1zz1A-1zz3A:
100.00
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) 		5 HIS A 143
HIS A 182
ASP A 268
GLY A 310
TYR A 312
 3YP  A1452 (-3.4A)
ZN  A1451 (-3.3A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 3.7A)
3YP  A1452 (-4.6A)
 1.05A 1zz1A-1zz3A:
71.3		 1zz1A-1zz3A:
100.00
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) 		6 LEU A  21
HIS A 182
PHE A 208
ASP A 268
GLY A 311
TYR A 312
 None
ZN  A1451 (-3.3A)
3YP  A1452 (-3.6A)
ZN  A1451 ( 2.5A)
None
3YP  A1452 (-4.6A)
 1.16A 1zz1A-1zz3A:
71.3		 1zz1A-1zz3A:
100.00
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) 		11 LEU A  21
ILE A 100
HIS A 142
HIS A 143
PHE A 152
ASP A 180
HIS A 182
PHE A 208
ASP A 268
GLY A 310
TYR A 312
 None
None
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)
3YP  A1452 (-4.6A)
 0.52A 1zz1A-1zz3A:
71.3		 1zz1A-1zz3A:
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		5 LEU A 299
ILE A 296
HIS A 203
ASP A 116
HIS A 268
 None
 1.24A 1zz1A-2bxyA:
undetectable		 1zz1A-2bxyA:
20.90
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.
2fdr CONSERVED
HYPOTHETICAL PROTEIN

(Agrobacterium
fabrum) 		PF13419
(HAD_2) 		5 LEU A 200
ILE A 173
HIS A 191
GLY A  43
TYR A 193
 None
 1.24A 1zz1A-2fdrA:
undetectable		 1zz1A-2fdrA:
20.32
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.
2igw PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
3

(Caenorhabditis
elegans) 		PF00160
(Pro_isomerase) 		5 LEU A  39
HIS A  61
PHE A  74
PHE A 119
GLY A  81
 None
 1.22A 1zz1A-2igwA:
undetectable		 1zz1A-2igwA:
17.76
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.
2o6i HD DOMAIN PROTEIN

(Enterococcus
faecalis) 		PF01966
(HD) 		5 LEU A 370
HIS A 114
HIS A 129
ASP A 111
ASP A 183
 None
None
None
ZN  A 501 (-2.6A)
ZN  A 501 (-2.4A)
 1.23A 1zz1A-2o6iA:
undetectable		 1zz1A-2o6iA:
22.67
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.
2ogg TREHALOSE OPERON
TRANSCRIPTIONAL
REPRESSOR

(Bacillus
subtilis) 		PF07702
(UTRA) 		5 LEU A 115
ILE A 123
HIS A 148
ASP A 212
PHE A 216
 None
GOL  A 304 (-4.5A)
None
None
None
 1.25A 1zz1A-2oggA:
undetectable		 1zz1A-2oggA:
17.16
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.
2qjp CYTOCHROME C1

(Rhodobacter
sphaeroides) 		PF02167
(Cytochrom_C1) 		5 LEU B  50
PHE B  89
ASP B  99
GLY B  41
TYR B  32
 None
 1.25A 1zz1A-2qjpB:
undetectable		 1zz1A-2qjpB:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vif SUPPRESSOR OF
CYTOKINE SIGNALLING
6

(Homo sapiens) 		PF00017
(SH2) 		5 LEU A 420
ILE A 433
HIS A 451
PHE A 442
ASP A 464
 None
 1.14A 1zz1A-2vifA:
undetectable		 1zz1A-2vifA:
17.42
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.
2yiu CYTOCHROME C1, HEME
PROTEIN

(Paracoccus
denitrificans) 		PF02167
(Cytochrom_C1) 		5 LEU B  96
PHE B 135
ASP B 146
GLY B  87
TYR B  78
 None
 1.25A 1zz1A-2yiuB:
undetectable		 1zz1A-2yiuB:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3auz DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		5 ILE A 191
HIS A  10
HIS A 188
ASP A  49
GLY A  48
 None
MN  A 401 (-3.4A)
MN  A 401 (-3.5A)
MN  A 402 ( 2.9A)
None
 1.24A 1zz1A-3auzA:
undetectable		 1zz1A-3auzA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 LEU A 966
ILE A 959
HIS A 627
HIS A 919
GLY A 554
 None
 1.12A 1zz1A-3bgaA:
undetectable		 1zz1A-3bgaA:
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 LEU A 224
HIS A 141
HIS A 140
PHE A 184
GLY A  25
 None
SAH  A 274 (-4.0A)
None
None
None
 1.17A 1zz1A-3busA:
3.0		 1zz1A-3busA:
24.27
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
 1.14A 1zz1A-3c10A:
47.9		 1zz1A-3c10A:
33.57
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)
 0.48A 1zz1A-3c10A:
47.9		 1zz1A-3c10A:
33.57
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 1zz1A-3c10A:
47.9		 1zz1A-3c10A:
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		5 ILE A 820
HIS A 797
ASP A 855
ASP A 851
GLY A 856
 None
None
CA  A   1 (-2.8A)
CA  A   1 (-3.4A)
None
 1.08A 1zz1A-3hx6A:
undetectable		 1zz1A-3hx6A:
21.54
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.
3i6y ESTERASE APC40077

(Oleispira
antarctica) 		PF00756
(Esterase) 		5 LEU A 247
HIS A 273
HIS A 269
PHE A 272
GLY A 146
 None
 1.18A 1zz1A-3i6yA:
undetectable		 1zz1A-3i6yA:
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.
3ls2 S-FORMYLGLUTATHIONE
HYDROLASE

(Pseudoalteromonas
haloplanktis) 		PF00756
(Esterase) 		5 LEU A 248
HIS A 274
HIS A 270
PHE A 273
GLY A 145
 None
 1.15A 1zz1A-3ls2A:
undetectable		 1zz1A-3ls2A:
23.36
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.
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
 1.16A 1zz1A-3maxA:
44.5		 1zz1A-3maxA:
25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.92A 1zz1A-3maxA:
44.5		 1zz1A-3maxA:
25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS A 145
HIS A 146
PHE A 155
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 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-3.7A)
LLX  A 400 (-4.4A)
 0.57A 1zz1A-3maxA:
44.5		 1zz1A-3maxA:
25.25
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) 		8 HIS A 156
HIS A 157
PHE A 166
ASP A 192
HIS A 194
ASP A 281
GLY A 318
TYR A 320
 SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 ( 3.7A)
SO4  A 401 (-4.5A)
 0.45A 1zz1A-3menA:
40.8		 1zz1A-3menA:
33.08
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) 		5 HIS A 157
HIS A 194
ASP A 281
GLY A 318
TYR A 320
 SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 ( 3.7A)
SO4  A 401 (-4.5A)
 1.17A 1zz1A-3menA:
40.8		 1zz1A-3menA:
33.08
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 LEU A 140
HIS A  18
ASP A 278
GLY A  21
TYR A  63
 None
ADE  A 328 ( 3.0A)
ADE  A 328 (-2.8A)
None
ADE  A 328 (-4.0A)
 1.21A 1zz1A-3paoA:
undetectable		 1zz1A-3paoA:
21.55
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.
3pdx TYROSINE
AMINOTRANSFERASE

(Mus musculus) 		PF00155
(Aminotran_1_2) 		5 LEU A 363
ILE A 378
HIS A 441
PHE A 383
PHE A 437
 None
 1.18A 1zz1A-3pdxA:
3.3		 1zz1A-3pdxA:
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.
3pin PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Saccharomyces
cerevisiae) 		PF01625
(PMSR) 		5 LEU B 120
ILE B  19
HIS B 179
HIS B 100
GLY B  24
 None
 1.18A 1zz1A-3pinB:
undetectable		 1zz1A-3pinB:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		5 LEU A 288
ILE A  63
HIS A 215
HIS A  22
GLY A 239
 None
None
ZN  A 334 ( 3.4A)
ZN  A 333 ( 3.3A)
None
 1.09A 1zz1A-3pnzA:
undetectable		 1zz1A-3pnzA:
22.49
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		7 HIS A 158
ASP A 195
HIS A 197
PHE A 225
ASP A 284
GLY A 321
TYR A 323
 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)
None
 0.39A 1zz1A-3q9cA:
41.9		 1zz1A-3q9cA:
29.89
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.
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
 1.25A 1zz1A-3q9cA:
41.9		 1zz1A-3q9cA:
29.89
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 LEU A 143
HIS A  21
ASP A 281
GLY A  24
TYR A  66
 None
ADE  A 345 ( 3.2A)
ADE  A 345 (-2.8A)
None
ADE  A 345 (-4.0A)
 1.25A 1zz1A-3rysA:
undetectable		 1zz1A-3rysA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 LEU A 252
ILE A 445
ASP A 356
GLY A 586
TYR A 354
 None
 0.97A 1zz1A-3s5kA:
undetectable		 1zz1A-3s5kA:
12.97
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 LEU A 395
ILE A  12
HIS A  80
ASP A 172
GLY A 171
 None
None
ZN  A 600 (-3.6A)
ZN  A 600 (-2.4A)
None
 1.21A 1zz1A-3t3oA:
undetectable		 1zz1A-3t3oA:
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 134
HIS A 135
PHE A 144
ASP A 170
GLY A 295
 ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
ZN  A 500 (-2.2A)
None
 1.12A 1zz1A-4a69A:
43.9		 1zz1A-4a69A:
26.42
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS A 134
HIS A 135
PHE A 144
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)
 0.57A 1zz1A-4a69A:
43.9		 1zz1A-4a69A:
26.42
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.
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)
 1.04A 1zz1A-4a69A:
43.9		 1zz1A-4a69A:
26.42
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 LEU A  29
HIS A 134
ASP A 170
ASP A 259
GLY A 257
 None
ACT  A 501 (-4.0A)
ZN  A 500 (-2.2A)
ZN  A 500 ( 2.4A)
None
 1.25A 1zz1A-4a69A:
43.9		 1zz1A-4a69A:
26.42
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.
4b0s DEAMIDASE-DEPUPYLASE
DOP

(Acidothermus
cellulolyticus) 		PF03136
(Pup_ligase) 		5 LEU A 370
ILE A 369
HIS A 394
ASP A 246
GLY A 185
 None
 1.25A 1zz1A-4b0sA:
undetectable		 1zz1A-4b0sA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 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
PHE B 150
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)
 0.58A 1zz1A-4bkxB:
43.4		 1zz1A-4bkxB:
23.53
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.
4bof ARGININE DEIMINASE

(Streptococcus
pyogenes) 		PF02274
(Amidinotransf) 		5 LEU A  71
ILE A 195
PHE A 168
ASP A 166
GLY A 221
 PGE  A 422 (-3.7A)
None
PGE  A 422 (-3.9A)
None
None
 1.25A 1zz1A-4bofA:
undetectable		 1zz1A-4bofA:
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.
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
 1.13A 1zz1A-4bz7A:
40.5		 1zz1A-4bz7A:
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		9 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.58A 1zz1A-4bz7A:
40.5		 1zz1A-4bz7A:
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 141
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.11A 1zz1A-4bz7A:
40.5		 1zz1A-4bz7A:
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.07A 1zz1A-4bz7A:
40.5		 1zz1A-4bz7A:
22.17
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) 		5 HIS A 802
HIS A 803
ASP A 840
ASP A 934
GLY A 932
 KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 ( 2.4A)
None
 1.20A 1zz1A-4cbyA:
47.0		 1zz1A-4cbyA:
32.83
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) 		7 HIS A 802
HIS A 803
ASP A 840
HIS A 842
PHE A 871
ASP A 934
GLY A 974
 KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
 0.48A 1zz1A-4cbyA:
47.0		 1zz1A-4cbyA:
32.83
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) 		7 HIS A 802
HIS A 803
PHE A 812
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 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
KEE  A2033 (-3.6A)
 0.73A 1zz1A-4cbyA:
47.0		 1zz1A-4cbyA:
32.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gtn ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Acinetobacter
sp. ADP1) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 LEU A 199
ILE A 225
HIS A 241
ASP A 106
GLY A 105
 None
 1.14A 1zz1A-4gtnA:
undetectable		 1zz1A-4gtnA:
21.27
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.
4kam O-ACETYLHOMOSERINE
SULFHYDRYLASE METC

(Mycobacterium
marinum) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 318
HIS A 376
PHE A 367
HIS A 374
ASP A 428
 None
 1.11A 1zz1A-4kamA:
undetectable		 1zz1A-4kamA:
25.05
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		5 LEU A  62
HIS A  96
HIS A  98
PHE A  99
ASP A 207
 None
ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
5PN  A 303 (-4.4A)
ZN  A 301 ( 2.1A)
 1.21A 1zz1A-4keqA:
undetectable		 1zz1A-4keqA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0i 4-AMINOBUTYRATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Sus scrofa) 		PF00202
(Aminotran_3) 		5 LEU A 284
ILE A 262
HIS A 190
PHE A 185
GLY A 187
 None
 1.25A 1zz1A-4y0iA:
4.2		 1zz1A-4y0iA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE A 100
HIS A 149
ASP A 170
HIS A  76
GLY A 169
 None
FE  A 301 ( 3.5A)
FE  A 301 ( 3.1A)
None
None
 1.17A 1zz1A-4yslA:
undetectable		 1zz1A-4yslA:
27.27
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 LEU C 167
ILE C 201
HIS C 297
ASP C 103
TYR C 238
 None
None
BSU  C 401 (-3.8A)
BSU  C 401 (-2.8A)
BSU  C 401 (-4.4A)
 1.20A 1zz1A-5cw2C:
undetectable		 1zz1A-5cw2C:
22.19
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.
5dn6 ATP SYNTHASE SUBUNIT
ALPHA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 LEU A  12
ILE A  16
ASP A  45
GLY A  43
TYR A  42
 None
 1.21A 1zz1A-5dn6A:
undetectable		 1zz1A-5dn6A:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dny DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		5 ILE A 191
HIS A  10
HIS A 188
ASP A  49
GLY A  48
 None
MG  A 401 (-3.5A)
MG  A 401 (-3.4A)
MG  A 402 ( 2.7A)
None
 1.25A 1zz1A-5dnyA:
undetectable		 1zz1A-5dnyA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.17A 1zz1A-5eduB:
49.0		 1zz1A-5eduB:
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 9 HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
 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)
TSN  B2501 (-4.2A)
 0.47A 1zz1A-5eduB:
49.0		 1zz1A-5eduB:
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.
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)
 1.26A 1zz1A-5eduB:
49.0		 1zz1A-5eduB:
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 9 ILE B 569
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782
 None
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)
TSN  B2501 (-4.2A)
 1.33A 1zz1A-5eduB:
49.0		 1zz1A-5eduB:
21.60
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
 1.14A 1zz1A-5eefA:
49.6		 1zz1A-5eefA:
32.32
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) 		8 HIS A 192
HIS A 193
PHE A 202
ASP A 230
HIS A 232
ASP A 323
GLY A 361
TYR A 363
 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)
TSN  A2002 (-4.3A)
 0.44A 1zz1A-5eefA:
49.6		 1zz1A-5eefA:
32.32
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 193
HIS A 232
ASP A 323
GLY A 361
TYR A 363
 TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-4.3A)
 1.01A 1zz1A-5eefA:
49.6		 1zz1A-5eefA:
32.32
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 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
 1.24A 1zz1A-5efnB:
50.0		 1zz1A-5efnB:
33.16
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 8 HIS B 573
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
GLY B 743
TYR B 745
 None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
None
 0.44A 1zz1A-5efnB:
50.0		 1zz1A-5efnB:
33.16
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 ILE B 532
HIS B 573
ASP B 612
HIS B 614
ASP B 705
GLY B 743
TYR B 745
 None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
ZN  B 801 ( 4.1A)
None
 1.06A 1zz1A-5efnB:
50.0		 1zz1A-5efnB:
33.16
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.
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
 1.16A 1zz1A-5g0hA:
50.2		 1zz1A-5g0hA:
20.11
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		9 HIS A 573
HIS A 574
PHE A 583
ASP A 612
HIS A 614
PHE A 643
ASP A 705
GLY A 743
TYR A 745
 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)
E1Z  A1801 (-4.4A)
 0.42A 1zz1A-5g0hA:
50.2		 1zz1A-5g0hA:
20.11
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.
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)
 1.25A 1zz1A-5g0hA:
50.2		 1zz1A-5g0hA:
20.11
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 HIS A 574
HIS A 614
ASP A 705
GLY A 743
TYR A 745
 E1Z  A1801 (-3.8A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 1.07A 1zz1A-5g0hA:
50.2		 1zz1A-5g0hA:
20.11
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		8 ILE A 532
HIS A 573
HIS A 574
ASP A 612
HIS A 614
ASP A 705
GLY A 743
TYR A 745
 None
E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
ZN  A1804 ( 4.2A)
E1Z  A1801 (-4.4A)
 1.14A 1zz1A-5g0hA:
50.2		 1zz1A-5g0hA:
20.11
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) 		7 HIS A 143
HIS A 144
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
 1.23A 1zz1A-5g10A:
56.8		 1zz1A-5g10A:
45.23
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) 		9 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 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)
6DK  A1375 (-4.4A)
 0.27A 1zz1A-5g10A:
56.8		 1zz1A-5g10A:
45.23
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 LEU A  23
ASP A 181
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 None
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.19A 1zz1A-5g10A:
56.8		 1zz1A-5g10A:
45.23
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) 		5 LEU A  23
HIS A 144
HIS A 183
ASP A 269
TYR A 313
 None
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-4.4A)
 1.09A 1zz1A-5g10A:
56.8		 1zz1A-5g10A:
45.23
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.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 LEU A 505
ILE A 566
PHE A 143
ASP A 281
GLY A 283
 None
None
None
COA  A 703 ( 4.4A)
None
 1.25A 1zz1A-5gxdA:
2.5		 1zz1A-5gxdA:
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		5 LEU A  77
ILE A 110
HIS A 114
ASP A 221
GLY A 220
 None
None
ZN  A 402 (-3.4A)
ZN  A 401 ( 2.4A)
None
 0.96A 1zz1A-5hifA:
undetectable		 1zz1A-5hifA:
22.48
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.
5ine PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Lymphocytic
choriomeningitis
mammarenavirus) 		PF00798
(Arena_glycoprot) 		5 LEU A 110
ILE A 101
HIS A 360
PHE A 199
GLY A 201
 None
 1.22A 1zz1A-5ineA:
undetectable		 1zz1A-5ineA:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 HIS A 125
HIS A 126
ASP A 163
ASP A 244
GLY A 242
 None
EDO  A 403 (-4.2A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-2.5A)
None
 1.25A 1zz1A-5ji5A:
46.7		 1zz1A-5ji5A:
33.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		8 HIS A 125
HIS A 126
PHE A 135
ASP A 163
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
EDO  A 403 (-4.2A)
EDO  A 403 ( 3.8A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 0.42A 1zz1A-5ji5A:
46.7		 1zz1A-5ji5A:
33.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 HIS A 125
HIS A 165
ASP A 244
GLY A 286
TYR A 288
 None
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
ZN  A 401 ( 4.2A)
None
 1.19A 1zz1A-5ji5A:
46.7		 1zz1A-5ji5A:
33.69
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.
5jx3 URACIL-DNA
GLYCOSYLASE

(Vaccinia virus) 		no annotation 5 LEU A 110
ILE A  89
ASP A 192
GLY A 179
TYR A 156
 None
 1.21A 1zz1A-5jx3A:
undetectable		 1zz1A-5jx3A:
19.89
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.
5k9h 0940_GH29

(unidentified) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		5 LEU A 146
PHE A 161
ASP A 213
GLY A 212
TYR A 192
 None
None
NA  A 629 ( 4.9A)
NA  A 629 (-4.5A)
None
 1.07A 1zz1A-5k9hA:
undetectable		 1zz1A-5k9hA:
19.97
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		5 ILE A 536
HIS A 540
ASP A 699
GLY A 698
TYR A 696
 None
ZN  A 901 (-3.4A)
ZN  A 902 (-2.3A)
None
None
 1.17A 1zz1A-5mtzA:
undetectable		 1zz1A-5mtzA:
18.62
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.
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
 1.17A 1zz1A-5td7A:
49.4		 1zz1A-5td7A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.34A 1zz1A-5td7A:
49.4		 1zz1A-5td7A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 ILE E 629
PHE E 625
ASP E 124
HIS E 126
GLY E  85
 None
 0.93A 1zz1A-5u8sE:
undetectable		 1zz1A-5u8sE:
19.72
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.
5uem 354NC37 FAB HEAVY
CHAIN
354NC37 FAB LIGHT
CHAIN

(Homo sapiens) 		no annotation 5 LEU L  28
ILE L   2
HIS H  35
ASP H  95
GLY H 100
 None
 1.10A 1zz1A-5uemL:
undetectable		 1zz1A-5uemL:
15.09
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.
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
 1.03A 1zz1A-5vi6A:
42.2		 1zz1A-5vi6A:
26.91
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS A 142
HIS A 143
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
GLY A 304
TYR A 306
 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)
EDO  A 407 ( 3.3A)
 0.55A 1zz1A-5vi6A:
42.2		 1zz1A-5vi6A:
26.91
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
HIS A 180
ASP A 267
GLY A 304
TYR A 306
 None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
ZN  A 401 ( 4.2A)
EDO  A 407 ( 3.3A)
 1.06A 1zz1A-5vi6A:
42.2		 1zz1A-5vi6A:
26.91
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.
6cud SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 3

(Homo sapiens) 		no annotation 5 LEU A 275
PHE A 308
HIS A 311
ASP A 263
GLY A 260
 None
 1.05A 1zz1A-6cudA:
undetectable		 1zz1A-6cudA:
11.99