SIMILAR PATTERNS OF AMINO ACIDS FOR 1A4L_B_DCFB853_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.
1bvw PROTEIN
(CELLOBIOHYDROLASE
II)

(Humicola
insolens) 		PF01341
(Glyco_hydro_6) 		5 PHE A 439
LEU A 443
PHE A 379
ALA A 128
HIS A 110
 None
None
None
None
MAN  A 650 (-4.6A)
 1.32A 1a4lB-1bvwA:
5.1		 1a4lB-1bvwA:
22.09
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.
1e2t N-HYDROXYARYLAMINE
O-ACETYLTRANSFERASE

(Salmonella
enterica) 		PF00797
(Acetyltransf_2) 		5 HIS A 259
LEU A  60
ALA A  63
GLU A  39
ASP A  42
 None
 1.47A 1a4lB-1e2tA:
undetectable		 1a4lB-1e2tA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eyw PHOSPHOTRIESTERASE

(Brevundimonas
diminuta) 		PF02126
(PTE) 		5 HIS A 254
ASP A 233
HIS A  57
ASP A 301
ASP A 253
 None
None
ZN  A 401 (-3.3A)
ZN  A 401 ( 2.6A)
None
 1.38A 1a4lB-1eywA:
14.5		 1a4lB-1eywA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kq0 METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 PHE A 219
ALA A 362
HIS A 331
HIS A 339
ASP A 251
 MED  A 601 ( 3.9A)
ZN  A 480 ( 3.7A)
ZN  A 480 ( 3.4A)
MED  A 601 (-3.3A)
ZN  A 479 ( 1.9A)
 1.21A 1a4lB-1kq0A:
undetectable		 1a4lB-1kq0A:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		12 HIS A  14
ASP A  16
PHE A  58
LEU A  59
PHE A  62
MET A 152
ALA A 180
HIS A 211
GLU A 214
HIS A 235
ASP A 292
ASP A 293
 PRH  A 401 ( 3.0A)
PRH  A 401 (-3.4A)
None
PRH  A 401 (-4.5A)
PRH  A 401 ( 4.4A)
PRH  A 401 (-4.1A)
PRH  A 401 ( 3.8A)
ZN  A 501 ( 3.4A)
PRH  A 401 (-2.5A)
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 0.60A 1a4lB-1krmA:
58.2		 1a4lB-1krmA:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 PHE A  58
LEU A  59
HIS A 211
ASP A 292
ASP A 293
 None
PRH  A 401 (-4.5A)
ZN  A 501 ( 3.4A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 1.30A 1a4lB-1krmA:
58.2		 1a4lB-1krmA:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		6 PHE A  58
LEU A  59
PHE A  62
MET A 152
HIS A  12
ASP A 293
 None
PRH  A 401 (-4.5A)
PRH  A 401 ( 4.4A)
PRH  A 401 (-4.1A)
ZN  A 501 ( 3.3A)
PRH  A 401 (-3.5A)
 1.33A 1a4lB-1krmA:
58.2		 1a4lB-1krmA:
84.81
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.
1o0x METHIONINE
AMINOPEPTIDASE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24) 		5 PHE A  62
ALA A 205
HIS A 174
HIS A 181
ASP A 100
 None
 1.40A 1a4lB-1o0xA:
undetectable		 1a4lB-1o0xA:
24.86
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		6 HIS A  57
LEU A  76
HIS A 200
GLU A 203
HIS A 228
ASP A 279
 NI  A9001 (-3.3A)
None
NI  A9001 (-3.4A)
None
None
NI  A9001 (-2.6A)
 0.68A 1a4lB-1p1mA:
21.5		 1a4lB-1p1mA:
25.11
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.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 5 ASP A 490
LEU A 134
PHE A 489
ALA A 348
GLU A  47
 None
 1.33A 1a4lB-1qi9A:
undetectable		 1a4lB-1qi9A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r2f PROTEIN
(RIBONUCLEOTIDE
REDUCTASE R2)

(Salmonella
enterica) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 101
PHE A 162
HIS A 195
GLU A 158
ASP A  67
 FE  A 400 (-3.4A)
FE  A 400 ( 4.7A)
FE  A 401 (-3.3A)
FE  A 401 (-1.7A)
FE  A 400 (-3.0A)
 1.17A 1a4lB-1r2fA:
undetectable		 1a4lB-1r2fA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rpt PROSTATIC ACID
PHOSPHATASE

(Rattus
norvegicus) 		PF00328
(His_Phos_2) 		5 PHE A  21
LEU A 177
MET A 200
ALA A 195
ASP A  24
 None
 1.00A 1a4lB-1rptA:
undetectable		 1a4lB-1rptA:
22.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		11 HIS A  17
ASP A  19
PHE A  61
LEU A  62
PHE A  65
MET A 155
ALA A 183
HIS A 214
GLU A 217
ASP A 295
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-2.7A)
HPR  A 353 (-4.6A)
HPR  A 353 (-4.5A)
HPR  A 353 (-3.9A)
HPR  A 353 (-4.1A)
HPR  A 353 (-3.2A)
ZN  A 400 ( 3.3A)
HPR  A 353 (-2.7A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 0.32A 1a4lB-1uioA:
63.3		 1a4lB-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		6 HIS A  17
ASP A  19
PHE A  61
PHE A  65
HIS A  15
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-2.7A)
HPR  A 353 (-4.6A)
HPR  A 353 (-3.9A)
ZN  A 400 (-3.4A)
HPR  A 353 (-2.6A)
 1.45A 1a4lB-1uioA:
63.3		 1a4lB-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 HIS A  17
ASP A 296
LEU A  58
PHE A  61
ALA A 183
 HPR  A 353 ( 3.1A)
HPR  A 353 (-2.6A)
None
HPR  A 353 (-4.6A)
HPR  A 353 (-3.2A)
 1.45A 1a4lB-1uioA:
63.3		 1a4lB-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 HIS A  17
LEU A  58
PHE A  61
ALA A 183
ASP A 295
 HPR  A 353 ( 3.1A)
None
HPR  A 353 (-4.6A)
HPR  A 353 (-3.2A)
HPR  A 353 ( 2.5A)
 0.88A 1a4lB-1uioA:
63.3		 1a4lB-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 HIS A  17
LEU A  58
PHE A  61
ALA A 183
ASP A 296
 HPR  A 353 ( 3.1A)
None
HPR  A 353 (-4.6A)
HPR  A 353 (-3.2A)
HPR  A 353 (-2.6A)
 1.31A 1a4lB-1uioA:
63.3		 1a4lB-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		6 HIS A  17
MET A 155
ALA A 183
HIS A 214
GLU A 217
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-4.1A)
HPR  A 353 (-3.2A)
ZN  A 400 ( 3.3A)
HPR  A 353 (-2.7A)
HPR  A 353 (-2.6A)
 1.33A 1a4lB-1uioA:
63.3		 1a4lB-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		7 HIS A  17
PHE A  61
LEU A  58
ALA A 183
HIS A 214
ASP A 295
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-4.6A)
None
HPR  A 353 (-3.2A)
ZN  A 400 ( 3.3A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 1.33A 1a4lB-1uioA:
63.3		 1a4lB-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 HIS A  17
PHE A  65
MET A 155
ALA A 183
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-3.9A)
HPR  A 353 (-4.1A)
HPR  A 353 (-3.2A)
HPR  A 353 (-2.6A)
 1.16A 1a4lB-1uioA:
63.3		 1a4lB-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 PHE A  61
LEU A  58
ALA A 183
HIS A  15
ASP A 296
 HPR  A 353 (-4.6A)
None
HPR  A 353 (-3.2A)
ZN  A 400 (-3.4A)
HPR  A 353 (-2.6A)
 1.44A 1a4lB-1uioA:
63.3		 1a4lB-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 PHE A  61
LEU A  62
HIS A 214
ASP A 295
ASP A 296
 HPR  A 353 (-4.6A)
HPR  A 353 (-4.5A)
ZN  A 400 ( 3.3A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 1.30A 1a4lB-1uioA:
63.3		 1a4lB-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		7 PHE A  61
LEU A  62
PHE A  65
MET A 155
ALA A 183
HIS A  15
ASP A 296
 HPR  A 353 (-4.6A)
HPR  A 353 (-4.5A)
HPR  A 353 (-3.9A)
HPR  A 353 (-4.1A)
HPR  A 353 (-3.2A)
ZN  A 400 (-3.4A)
HPR  A 353 (-2.6A)
 1.43A 1a4lB-1uioA:
63.3		 1a4lB-1uioA:
99.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkm METHIONINE
AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24) 		5 PHE A  50
ALA A 185
HIS A 153
HIS A 161
ASP A  82
 MET  A1298 (-3.8A)
MN  A 296 ( 3.9A)
MN  A 296 ( 3.3A)
MET  A1298 (-4.0A)
MN  A 297 ( 1.7A)
 1.24A 1a4lB-1wkmA:
undetectable		 1a4lB-1wkmA:
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.
1wql IRON-SULFUR PROTEIN
LARGE SUBUNIT OF
CUMENE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 HIS A 234
PHE A 378
LEU A 333
PHE A 228
ASP A 388
 FE2  A 502 ( 3.3A)
OXY  A 503 (-4.7A)
None
OXY  A 503 ( 4.1A)
FE2  A 502 ( 2.2A)
 1.42A 1a4lB-1wqlA:
undetectable		 1a4lB-1wqlA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zzm PUTATIVE
DEOXYRIBONUCLEASE
YJJV

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 HIS A  11
MET A  69
HIS A 157
ASP A 207
ASP A 210
 ZN  A 401 (-3.2A)
P33  A 501 (-3.7A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.2A)
P33  A 501 (-3.7A)
 1.39A 1a4lB-1zzmA:
14.1		 1a4lB-1zzmA:
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		6 HIS A 393
HIS A 659
GLU A 662
HIS A 681
ASP A 736
ASP A 737
 ZN  A 840 ( 3.2A)
ZN  A 840 ( 3.1A)
CF5  A 841 (-2.6A)
CF5  A 841 (-4.2A)
CF5  A 841 ( 2.5A)
CF5  A 841 (-2.5A)
 0.70A 1a4lB-2a3lA:
20.8		 1a4lB-2a3lA:
18.10
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		8 HIS A  57
ASP A  59
PHE A 101
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.72A 1a4lB-2amxA:
39.8		 1a4lB-2amxA:
25.86
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A  57
LEU A 297
PHE A 101
HIS A 239
ASP A 324
 CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
CO  A1000 (-3.4A)
None
 1.41A 1a4lB-2amxA:
39.8		 1a4lB-2amxA:
25.86
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 LEU A 122
ALA A 238
HIS A 405
GLU A 299
HIS A 306
 None
None
None
ZN  A1001 ( 2.3A)
None
 1.46A 1a4lB-2cfzA:
undetectable		 1a4lB-2cfzA:
19.55
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.
2g0w LMO2234 PROTEIN

(Listeria
monocytogenes) 		PF01261
(AP_endonuc_2) 		5 PHE A 105
LEU A  43
PHE A  26
HIS A 100
ASP A  58
 None
 1.36A 1a4lB-2g0wA:
3.0		 1a4lB-2g0wA:
21.84
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		6 HIS A  75
LEU A  94
HIS A 229
GLU A 232
HIS A 269
ASP A 320
 FE  A 501 ( 3.6A)
GUN  A 503 (-4.4A)
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
GUN  A 503 ( 4.4A)
FE  A 501 ( 2.7A)
 0.60A 1a4lB-2i9uA:
21.5		 1a4lB-2i9uA:
24.35
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		6 HIS A  99
PHE A 107
HIS A 238
GLU A 241
HIS A 301
ASP A 352
 ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.2A)
None
None
ZN  A 500 (-3.9A)
 0.81A 1a4lB-2imrA:
17.6		 1a4lB-2imrA:
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		6 HIS A  99
PHE A 113
LEU A 110
HIS A 238
HIS A 301
ASP A 352
 ZN  A 500 (-3.2A)
None
None
ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.9A)
 0.97A 1a4lB-2imrA:
17.6		 1a4lB-2imrA:
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		6 HIS A  99
PHE A 113
PHE A 107
HIS A 238
HIS A 301
ASP A 352
 ZN  A 500 (-3.2A)
None
None
ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.9A)
 0.98A 1a4lB-2imrA:
17.6		 1a4lB-2imrA:
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		6 HIS A  81
LEU A  99
HIS A 234
GLU A 237
HIS A 273
ASP A 326
 ZN  A 500 ( 3.3A)
GUN  A 600 (-4.2A)
GUN  A 600 ( 2.8A)
GUN  A 600 (-2.8A)
GUN  A 600 (-3.9A)
GUN  A 600 ( 2.5A)
 0.58A 1a4lB-2oodA:
21.3		 1a4lB-2oodA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 431
GLU A 157
HIS A  90
ASP A 123
ASP A 430
 None
MN  A 460 ( 3.8A)
MN  A 460 (-3.7A)
MN  A 460 (-2.6A)
None
 1.35A 1a4lB-2pokA:
undetectable		 1a4lB-2pokA:
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.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 431
GLU A 184
HIS A  90
ASP A 123
ASP A 430
 None
MN  A 460 (-2.3A)
MN  A 460 (-3.7A)
MN  A 460 (-2.6A)
None
 1.14A 1a4lB-2pokA:
undetectable		 1a4lB-2pokA:
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.
2qq6 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A 216
ASP A 171
GLU A 341
HIS A 316
ASP A 214
 None
None
None
MG  A 409 ( 4.9A)
MG  A 409 (-3.4A)
 1.48A 1a4lB-2qq6A:
6.1		 1a4lB-2qq6A:
20.17
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  62
ASP A  64
HIS A 217
HIS A 249
ASP A 303
 ZN  A 501 (-3.3A)
None
ZN  A 501 (-3.5A)
None
ZN  A 501 (-3.2A)
 0.96A 1a4lB-2qt3A:
21.7		 1a4lB-2qt3A:
21.91
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A  96
ALA A 274
HIS A 458
GLU A 463
HIS A 456
 CU  A 702 ( 3.2A)
CU  A 702 ( 4.7A)
CU  A 702 (-3.5A)
CU  A 701 ( 4.6A)
CU  A 701 (-3.3A)
 1.34A 1a4lB-3abgA:
undetectable		 1a4lB-3abgA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		6 HIS A  84
LEU A 103
HIS A 238
GLU A 241
HIS A 277
ASP A 328
 ZN  A1452 (-3.1A)
None
ZN  A1452 (-3.2A)
None
None
ZN  A1452 (-2.8A)
 0.79A 1a4lB-3e0lA:
21.3		 1a4lB-3e0lA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 LEU A  99
HIS A 238
GLU A 241
HIS A 277
ASP A 328
 None
ZN  A1452 (-3.2A)
None
None
ZN  A1452 (-2.8A)
 1.19A 1a4lB-3e0lA:
21.3		 1a4lB-3e0lA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		8 HIS A  44
ASP A  46
PHE A  88
HIS A 225
GLU A 228
HIS A 252
ASP A 309
ASP A 310
 MCF  A 372 ( 3.3A)
MCF  A 372 (-3.5A)
MCF  A 372 (-4.5A)
ZN  A 371 ( 3.4A)
MCF  A 372 (-2.8A)
MCF  A 372 (-4.1A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 0.56A 1a4lB-3ewdA:
42.3		 1a4lB-3ewdA:
26.70
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		6 HIS A  63
ASP A  65
HIS A 214
GLU A 217
HIS A 246
ASP A 313
 FE  A 502 (-3.1A)
None
FE  A 502 (-3.6A)
None
FE  A 502 ( 4.8A)
FE  A 502 (-3.2A)
 0.76A 1a4lB-3g77A:
23.0		 1a4lB-3g77A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g9w TALIN-2

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS) 		5 PHE A 261
LEU A 262
ALA A 245
HIS A 286
HIS A 252
 None
 1.33A 1a4lB-3g9wA:
undetectable		 1a4lB-3g9wA:
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  95
HIS A 259
GLU A 262
HIS A 296
ASP A 347
 ZN  A 480 (-3.3A)
ZN  A 480 (-3.5A)
None
ZN  A 480 ( 4.8A)
ZN  A 480 (-3.2A)
 0.99A 1a4lB-3hpaA:
22.9		 1a4lB-3hpaA:
22.15
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  95
LEU A 116
HIS A 259
GLU A 262
HIS A 296
 ZN  A 480 (-3.3A)
None
ZN  A 480 (-3.5A)
None
ZN  A 480 ( 4.8A)
 1.08A 1a4lB-3hpaA:
22.9		 1a4lB-3hpaA:
22.15
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		5 HIS A 642
PHE A 470
LEU A 458
PHE A 644
ALA A 518
 None
 1.40A 1a4lB-3k8kA:
7.2		 1a4lB-3k8kA:
20.43
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		7 HIS A  88
ASP A  89
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.95A 1a4lB-3lggA:
33.9		 1a4lB-3lggA:
21.85
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		5 HIS A  88
LEU A 389
PHE A 181
HIS A 330
ASP A 416
 CFE  A 513 ( 3.3A)
None
CFE  A 513 (-4.8A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-2.8A)
 1.31A 1a4lB-3lggA:
33.9		 1a4lB-3lggA:
21.85
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		7 HIS A  88
PHE A 181
PHE A 185
HIS A 330
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
CFE  A 513 ( 3.7A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.67A 1a4lB-3lggA:
33.9		 1a4lB-3lggA:
21.85
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		7 HIS A  88
PHE A 185
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 ( 3.7A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.45A 1a4lB-3lggA:
33.9		 1a4lB-3lggA:
21.85
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		5 HIS A  90
HIS A 243
GLU A 246
HIS A 280
ASP A 331
 CA  A 471 (-3.6A)
CA  A 471 (-4.7A)
None
None
CA  A 471 (-2.7A)
 0.81A 1a4lB-3lnpA:
20.7		 1a4lB-3lnpA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		5 LEU A 106
HIS A 243
GLU A 246
HIS A 280
ASP A 331
 None
CA  A 471 (-4.7A)
None
None
CA  A 471 (-2.7A)
 1.13A 1a4lB-3lnpA:
20.7		 1a4lB-3lnpA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		5 LEU A 110
HIS A 243
GLU A 246
HIS A 280
ASP A 331
 None
CA  A 471 (-4.7A)
None
None
CA  A 471 (-2.7A)
 0.95A 1a4lB-3lnpA:
20.7		 1a4lB-3lnpA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  58
HIS A 232
GLU A 235
HIS A 269
ASP A 320
 ZN  A 454 ( 3.2A)
ZN  A 454 (-3.3A)
NGQ  A 455 (-2.9A)
None
ZN  A 454 (-2.9A)
 0.39A 1a4lB-3mduA:
21.3		 1a4lB-3mduA:
21.93
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  58
PHE A  60
HIS A 232
HIS A 269
ASP A 320
 ZN  A 454 ( 3.2A)
None
ZN  A 454 (-3.3A)
None
ZN  A 454 (-2.9A)
 1.35A 1a4lB-3mduA:
21.3		 1a4lB-3mduA:
21.93
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.
3mkv PUTATIVE
AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  65
ASP A 324
LEU A 230
MET A 193
ASP A 105
 ZN  A 425 (-3.3A)
ZN  A 425 (-2.6A)
KCX  A 191 ( 4.0A)
KCX  A 191 ( 4.0A)
None
 1.27A 1a4lB-3mkvA:
19.4		 1a4lB-3mkvA:
23.74
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.
3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases) 		5 PHE B1300
LEU B1287
MET B1444
ALA B1443
HIS B1402
 None
 1.41A 1a4lB-3myrB:
undetectable		 1a4lB-3myrB:
20.61
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.
3ovg AMIDOHYDROLASE

(Mycoplasma
synoviae) 		PF02126
(PTE) 		5 HIS A 214
LEU A 184
HIS A  26
ASP A 272
ASP A 238
 ZN  A 363 (-3.5A)
None
ZN  A 362 (-3.5A)
ZN  A 362 (-2.7A)
None
 1.46A 1a4lB-3ovgA:
6.4		 1a4lB-3ovgA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		7 HIS A  18
ASP A 100
PHE A  59
LEU A  60
GLU A 199
HIS A 220
ASP A 277
 ADE  A 328 ( 3.0A)
None
None
ADE  A 328 (-4.9A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.32A 1a4lB-3paoA:
39.4		 1a4lB-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  18
LEU A  56
HIS A 196
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 1.01A 1a4lB-3paoA:
39.4		 1a4lB-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  18
LEU A  56
PHE A  59
HIS A 196
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-2.8A)
 1.21A 1a4lB-3paoA:
39.4		 1a4lB-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		8 HIS A  18
PHE A  59
LEU A  60
HIS A 196
GLU A 199
HIS A 220
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
None
ADE  A 328 (-4.9A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.56A 1a4lB-3paoA:
39.4		 1a4lB-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 PHE A  59
LEU A  60
HIS A 196
ASP A 277
ASP A 278
 None
ADE  A 328 (-4.9A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 1.35A 1a4lB-3paoA:
39.4		 1a4lB-3paoA:
30.03
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		7 HIS A  21
ASP A 103
PHE A  62
LEU A  63
GLU A 202
HIS A 223
ASP A 280
 ADE  A 345 ( 3.2A)
None
None
None
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.33A 1a4lB-3rysA:
40.7		 1a4lB-3rysA:
29.17
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  21
LEU A  59
PHE A  62
HIS A 199
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
 1.16A 1a4lB-3rysA:
40.7		 1a4lB-3rysA:
29.17
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		6 HIS A  21
PHE A  62
LEU A  59
HIS A 199
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
None
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 1.47A 1a4lB-3rysA:
40.7		 1a4lB-3rysA:
29.17
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		8 HIS A  21
PHE A  62
LEU A  63
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
None
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.52A 1a4lB-3rysA:
40.7		 1a4lB-3rysA:
29.17
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 PHE A  62
LEU A  63
HIS A 199
ASP A 280
ASP A 281
 None
None
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 1.31A 1a4lB-3rysA:
40.7		 1a4lB-3rysA:
29.17
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 206
GLU A 209
HIS A 257
ASP A 306
 FE  A 429 (-3.2A)
FE  A 429 (-3.3A)
UNL  A 436 ( 2.8A)
None
FE  A 429 (-3.1A)
 0.34A 1a4lB-3v7pA:
20.0		 1a4lB-3v7pA:
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		5 LEU A  82
HIS A 206
GLU A 209
HIS A 257
ASP A 306
 None
FE  A 429 (-3.3A)
UNL  A 436 ( 2.8A)
None
FE  A 429 (-3.1A)
 0.84A 1a4lB-3v7pA:
20.0		 1a4lB-3v7pA:
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.
4dr0 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus
subtilis) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 101
PHE A 168
HIS A 201
GLU A 164
ASP A  66
 MN  A 402 (-3.2A)
MN  A 402 ( 4.8A)
MN  A 401 (-3.4A)
MN  A 401 (-1.7A)
MN  A 402 (-2.3A)
 1.11A 1a4lB-4dr0A:
undetectable		 1a4lB-4dr0A:
22.14
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  74
HIS A 221
GLU A 224
HIS A 258
ASP A 309
 ZN  A 501 (-3.2A)
ZN  A 501 (-3.3A)
None
None
ZN  A 501 (-2.6A)
 0.44A 1a4lB-4dykA:
21.1		 1a4lB-4dykA:
21.89
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		6 HIS A  80
LEU A  99
HIS A 227
GLU A 230
HIS A 264
ASP A 315
 ZN  A 504 (-3.1A)
None
ZN  A 504 (-3.3A)
ZN  A 505 ( 4.2A)
ZN  A 505 ( 4.8A)
ZN  A 505 ( 2.0A)
 0.78A 1a4lB-4dzhA:
20.7		 1a4lB-4dzhA:
19.88
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.
4ewt PEPTIDASE,
M20/M25/M40 FAMILY

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 108
PHE A 346
MET A 166
GLU A 139
ASP A  78
 None
None
None
MN  A 401 ( 2.2A)
MN  A 402 ( 4.4A)
 1.36A 1a4lB-4ewtA:
undetectable		 1a4lB-4ewtA:
22.83
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 237
GLU A 240
HIS A 274
ASP A 325
 FE  A 501 (-3.4A)
FE  A 501 (-3.5A)
None
None
FE  A 501 (-2.8A)
 0.39A 1a4lB-4f0lA:
20.1		 1a4lB-4f0lA:
21.35
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 HIS A  63
PHE A  65
HIS A 237
HIS A 274
ASP A 325
 FE  A 501 (-3.4A)
None
FE  A 501 (-3.5A)
None
FE  A 501 (-2.8A)
 1.41A 1a4lB-4f0lA:
20.1		 1a4lB-4f0lA:
21.35
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		6 HIS A  72
LEU A  91
HIS A 219
GLU A 222
HIS A 256
ASP A 307
 NOS  A 501 (-3.7A)
NOS  A 501 ( 4.8A)
NOS  A 501 (-3.5A)
NOS  A 501 (-3.0A)
NOS  A 501 (-4.0A)
NOS  A 501 (-2.8A)
 0.57A 1a4lB-4f0sA:
21.5		 1a4lB-4f0sA:
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.
4guj 3-DEHYDROQUINATE
DEHYDRATASE

(Salmonella
enterica) 		PF01487
(DHquinase_I) 		5 MET A 203
ALA A 172
HIS A 143
GLU A  86
ASP A 114
 SKM  A 301 ( 4.3A)
SKM  A 301 ( 4.3A)
SKM  A 301 (-3.8A)
None
None
 1.47A 1a4lB-4gujA:
5.6		 1a4lB-4gujA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		7 HIS A  36
LEU A  76
HIS A 215
GLU A 218
HIS A 240
ASP A 300
ASP A 301
 ZN  A 401 (-3.3A)
None
ZN  A 401 (-3.4A)
None
None
ZN  A 401 (-2.6A)
None
 0.58A 1a4lB-4gxwA:
39.6		 1a4lB-4gxwA:
26.97
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.
4i5u CHIMERIC CEL6A

(Chaetomium
thermophilum;
Humicola
insolens;
Trichoderma
reesei) 		PF01341
(Glyco_hydro_6) 		5 PHE A 435
LEU A 439
PHE A 375
ALA A 127
HIS A 109
 None
 1.34A 1a4lB-4i5uA:
4.5		 1a4lB-4i5uA:
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 HIS A 317
PHE A 273
LEU A 271
HIS A  19
ASP A 318
 None
 1.37A 1a4lB-4jcmA:
7.9		 1a4lB-4jcmA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 PHE A 348
PHE A 316
ALA A  13
HIS A 224
HIS A 222
 OAA  A 602 (-4.8A)
None
OAA  A 602 ( 4.5A)
MG  A 601 ( 3.3A)
MG  A 601 ( 3.4A)
 1.45A 1a4lB-4nnbA:
9.8		 1a4lB-4nnbA:
21.38
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.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		5 HIS A 329
GLU A 126
HIS A  71
ASP A  95
ASP A 328
 None
None
None
None
SO4  A 401 ( 4.6A)
 1.29A 1a4lB-4q7aA:
undetectable		 1a4lB-4q7aA:
21.85
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 ASP A  60
HIS A 209
GLU A 212
HIS A 241
ASP A 308
 None
FE2  A 502 ( 3.4A)
17E  A 501 (-2.9A)
FE2  A 502 ( 3.7A)
FE2  A 502 ( 2.8A)
 0.73A 1a4lB-4r85A:
22.8		 1a4lB-4r85A:
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 HIS A  58
ASP A  60
HIS A 209
GLU A 212
ASP A 308
 FE2  A 502 ( 3.5A)
None
FE2  A 502 ( 3.4A)
17E  A 501 (-2.9A)
FE2  A 502 ( 2.8A)
 0.89A 1a4lB-4r85A:
22.8		 1a4lB-4r85A:
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		6 HIS A  68
LEU A  88
HIS A 243
GLU A 246
HIS A 276
ASP A 327
 FE  A 481 (-3.9A)
None
FE  A 481 (-4.1A)
FE  A 481 ( 4.3A)
FE  A 481 (-3.9A)
FE  A 481 (-2.8A)
 0.65A 1a4lB-4v1yA:
22.0		 1a4lB-4v1yA:
20.78
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.
4x8i LYSYL AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF05343
(Peptidase_M42) 		5 HIS A 314
PHE A 233
GLU A 207
HIS A  63
ASP A 177
 CO  A 402 (-3.5A)
None
CL  A 403 ( 2.8A)
ZN  A 401 (-3.3A)
ZN  A 401 ( 2.6A)
 1.30A 1a4lB-4x8iA:
undetectable		 1a4lB-4x8iA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aeb LRA-12

(uncultured
bacterium BLR12) 		PF00753
(Lactamase_B) 		5 HIS A 118
ASP A 153
PHE A 156
HIS A 263
ASP A 120
 ZN  A1308 (-3.0A)
None
None
ZN  A1307 (-3.2A)
ZN  A1307 (-2.5A)
 1.15A 1a4lB-5aebA:
undetectable		 1a4lB-5aebA:
21.29
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 HIS A 149
ASP A 145
LEU A 136
HIS A 352
ASP A 124
 CA  A1101 (-3.8A)
None
None
CA  A1102 (-3.6A)
CA  A1102 ( 2.6A)
 1.45A 1a4lB-5b7iA:
undetectable		 1a4lB-5b7iA:
15.55
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.
5dnw SHKAI2IB

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 PHE A 174
PHE A 157
MET A 218
ALA A 219
HIS A  94
 None
 1.21A 1a4lB-5dnwA:
undetectable		 1a4lB-5dnwA:
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.
5w3w ARYLDIALKYLPHOSPHATA
SE

(Sulfolobus
solfataricus) 		no annotation 5 HIS A 199
LEU A 226
PHE A 229
HIS A  22
HIS A  24
 CO  A 402 (-3.1A)
None
EDO  A 403 (-4.5A)
FE  A 401 (-3.3A)
FE  A 401 (-3.2A)
 1.36A 1a4lB-5w3wA:
14.3		 1a4lB-5w3wA:
12.61
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 5 HIS A 764
PHE A 676
LEU A 768
GLU A 745
HIS A 742
 None
 1.44A 1a4lB-5weaA:
undetectable		 1a4lB-5weaA:
12.89
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.
5x7l TSRD

(Streptomyces
laurentii) 		no annotation 5 HIS A 117
PHE A  13
HIS A  35
ASP A 119
ASP A 105
 IPA  A 202 (-3.5A)
None
None
IPA  A 202 ( 4.8A)
IPA  A 202 (-2.9A)
 1.32A 1a4lB-5x7lA:
undetectable		 1a4lB-5x7lA:
13.78
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.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		5 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.12A 1a4lB-5xoyA:
undetectable		 1a4lB-5xoyA:
24.34
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.
6c43 GAMMA-AMINOBUTYRALDE
HYDE DEHYDROGENASE

(Salmonella
enterica) 		no annotation 5 LEU A 438
PHE A 436
ALA A 407
GLU A 246
ASP A 279
 None
 1.27A 1a4lB-6c43A:
undetectable		 1a4lB-6c43A:
12.61