SIMILAR PATTERNS OF AMINO ACIDS FOR 2Q0J_B_BEZB500_0

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.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		5 ASP A 315
HIS A  59
GLU A 185
HIS A 239
SER A 288
 ZN  A1461 (-2.7A)
ZN  A1461 (-3.4A)
None
ZN  A1460 (-3.5A)
None
 1.22A 2q0jB-1gkpA:
undetectable		 2q0jB-1gkpA:
20.35
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 ASP A 315
HIS A  58
GLU A 185
HIS A 239
HIS A 208
 ZN  A 502 (-3.0A)
ZN  A 502 (-3.5A)
None
ZN  A 501 (-3.7A)
None
 1.21A 2q0jB-1k1dA:
undetectable		 2q0jB-1k1dA:
19.27
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		5 ASP A 151
HIS A 152
HIS A 234
ASP A 255
HIS A 302
 ZN  A 401 (-2.6A)
ZN  A 401 (-3.3A)
ZN  A 402 (-3.3A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.4A)
 0.53A 2q0jB-1p9eA:
15.6		 2q0jB-1p9eA:
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 ASP A  58
HIS A  59
HIS A 110
ASP A 134
HIS A 173
 ZN  A 262 (-2.7A)
ZN  A 262 ( 3.3A)
ZN  A 261 (-3.3A)
ZN  A 262 ( 2.4A)
ZN  A 262 (-3.3A)
 0.41A 2q0jB-1qh5A:
15.4		 2q0jB-1qh5A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vme FLAVOPROTEIN

(Thermotoga
maritima) 		PF00258
(Flavodoxin_1) 		5 ASP A  89
HIS A  90
HIS A 151
ASP A 168
HIS A 228
 FEO  A 401 (-2.4A)
FEO  A 401 (-3.3A)
FEO  A 401 (-3.5A)
FEO  A 401 (-2.5A)
FEO  A 401 (-3.3A)
 0.99A 2q0jB-1vmeA:
20.2		 2q0jB-1vmeA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 ASP A 180
HIS A 183
HIS A 111
HIS A 230
HIS A   7
 ZN  A 303 ( 3.3A)
ZN  A 302 (-3.2A)
ZN  A 301 ( 3.4A)
SO4  A 304 (-3.3A)
None
 1.26A 2q0jB-1xp3A:
undetectable		 2q0jB-1xp3A:
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 ASP A  85
HIS A  86
HIS A 148
ASP A 167
HIS A 228
 FEO  A 501 ( 2.4A)
FEO  A 501 (-3.1A)
FEO  A 501 (-2.8A)
FEO  A 501 ( 2.4A)
FEO  A 501 ( 3.1A)
 0.76A 2q0jB-1ycgA:
18.7		 2q0jB-1ycgA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkp HYPOTHETICAL PROTEIN
BA1088

(Bacillus
anthracis) 		PF12706
(Lactamase_B_2) 		5 ASP A  63
HIS A  64
HIS A 134
ASP A 155
HIS A 211
 ZN  A 246 (-2.7A)
ZN  A 246 (-3.2A)
ZN  A 245 (-3.3A)
ZN  A 246 ( 2.4A)
ZN  A 246 (-3.2A)
 0.69A 2q0jB-1zkpA:
10.6		 2q0jB-1zkpA:
23.29
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.
1ztc HYPOTHETICAL PROTEIN
TM0894

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 ASP A  73
HIS A  74
HIS A 140
ASP A 162
HIS A 199
 NI  A 301 (-3.2A)
NI  A 301 (-3.4A)
NI  A 302 (-3.4A)
NI  A 301 ( 2.3A)
NI  A 301 (-3.4A)
 0.38A 2q0jB-1ztcA:
15.3		 2q0jB-1ztcA:
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.
2a1x PHYTANOYL-COA
DIOXYGENASE

(Homo sapiens) 		PF05721
(PhyH) 		5 HIS A 281
ASP A 177
HIS A 175
SER A 266
LEU A 206
 None
FE2  A 450 ( 2.8A)
FE2  A 450 ( 3.3A)
AKG  A 451 (-2.6A)
None
 1.25A 2q0jB-2a1xA:
undetectable		 2q0jB-2a1xA:
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 ASP A 108
HIS A 109
HIS A 169
ASP A 191
HIS A 235
 ZN  A 251 ( 2.7A)
ZN  A 251 (-3.2A)
ZN  A 252 (-3.3A)
ZN  A 251 ( 2.4A)
ZN  A 251 (-3.3A)
 0.67A 2q0jB-2a7mA:
13.7		 2q0jB-2a7mA:
20.94
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 HIS A 109
HIS A 169
ASP A 191
HIS A 235
LEU A  16
 ZN  A 251 (-3.2A)
ZN  A 252 (-3.3A)
ZN  A 251 ( 2.4A)
ZN  A 251 (-3.3A)
GOL  A 805 (-4.9A)
 0.96A 2q0jB-2a7mA:
13.7		 2q0jB-2a7mA:
20.94
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.
2az4 HYPOTHETICAL PROTEIN
EF2904

(Enterococcus
faecalis) 		PF12706
(Lactamase_B_2) 		5 ASP A  96
HIS A  97
HIS A 167
ASP A 189
HIS A 404
 ZN  A 602 (-2.8A)
ZN  A 602 (-3.3A)
ZN  A 601 (-3.4A)
ZN  A 602 ( 2.5A)
ZN  A 602 (-3.5A)
 0.23A 2q0jB-2az4A:
11.2		 2q0jB-2az4A:
22.75
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 ASP A  68
HIS A  69
HIS A 141
ASP A 212
HIS A 270
 ZN  A 402 (-2.6A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
ZN  A 402 ( 2.3A)
ZN  A 402 (-3.3A)
 0.72A 2q0jB-2cbnA:
10.1		 2q0jB-2cbnA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 HIS A  69
HIS A 141
ASP A 212
HIS A 270
SER A 272
 ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
ZN  A 402 ( 2.3A)
ZN  A 402 (-3.3A)
None
 0.97A 2q0jB-2cbnA:
10.1		 2q0jB-2cbnA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7y TRNASE Z

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		5 ASP A  52
HIS A  53
HIS A 134
ASP A 190
HIS A 244
 ZN  A1301 (-3.2A)
ZN  A1301 (-3.3A)
ZN  A1302 (-3.7A)
ZN  A1301 ( 2.3A)
ZN  A1301 (-3.1A)
 0.78A 2q0jB-2e7yA:
9.4		 2q0jB-2e7yA:
21.74
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.
2e7y TRNASE Z

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		5 ASP A  52
HIS A  53
HIS A 134
ASP A 190
LEU A  10
 ZN  A1301 (-3.2A)
ZN  A1301 (-3.3A)
ZN  A1302 (-3.7A)
ZN  A1301 ( 2.3A)
None
 0.73A 2q0jB-2e7yA:
9.4		 2q0jB-2e7yA:
21.74
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.
2fk6 RIBONUCLEASE Z

(Bacillus
subtilis) 		PF12706
(Lactamase_B_2) 		5 ASP A  67
HIS A  68
HIS A 140
ASP A 211
HIS A 269
 ZN  A 401 (-2.6A)
ZN  A 401 (-3.4A)
None
ZN  A 401 (-2.6A)
ZN  A 401 (-3.6A)
 0.75A 2q0jB-2fk6A:
10.8		 2q0jB-2fk6A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gu1 ZINC PEPTIDASE

(Vibrio cholerae) 		PF01551
(Peptidase_M23)
PF04225
(OapA) 		5 HIS A 311
ASP A 236
GLU A 315
HIS A 232
LEU A  40
 None
ZN  A 362 (-2.1A)
None
ZN  A 362 (-3.2A)
None
 1.18A 2q0jB-2gu1A:
undetectable		 2q0jB-2gu1A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 ASP A  75
HIS A  76
HIS A 158
ASP A 179
HIS A 418
 ZN  A 481 ( 2.6A)
ZN  A 481 (-3.4A)
ZN  A 482 ( 3.3A)
ZN  A 481 (-2.5A)
ZN  A 481 ( 3.4A)
 0.60A 2q0jB-2i7tA:
11.7		 2q0jB-2i7tA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 ASP A  87
HIS A  88
ASP A 170
LEU A 202
HIS A 233
 FE  A 501 (-2.9A)
FE  A 501 (-3.1A)
FE  A 501 ( 2.3A)
None
FE  A 501 (-3.2A)
 0.80A 2q0jB-2ohhA:
19.6		 2q0jB-2ohhA:
24.11
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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		6 ASP A  80
HIS A  81
HIS A 139
ASP A 164
PHE A 175
HIS A 210
 ZN  A 301 ( 2.7A)
ZN  A 301 (-3.3A)
ZN  A 302 ( 3.2A)
ZN  A 301 (-2.5A)
ACY  A1022 (-4.9A)
ZN  A 301 ( 3.3A)
 0.48A 2q0jB-2p18A:
14.5		 2q0jB-2p18A:
26.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 ASP A  80
HIS A  81
HIS A 200
PHE A 165
HIS A 255
 FE  A1002 (-2.5A)
FE  A1002 (-3.4A)
FE  A1001 (-3.3A)
None
FE  A1002 (-3.5A)
 0.69A 2q0jB-2p4zA:
9.7		 2q0jB-2p4zA:
22.63
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.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		6 ASP A  58
HIS A  59
HIS A 112
ASP A 131
PHE A 142
HIS A 169
 FE  A 701 (-2.6A)
FE  A 701 (-3.1A)
ZN  A 700 (-3.3A)
FE  A 701 ( 2.4A)
None
FE  A 701 (-3.3A)
 0.58A 2q0jB-2q42A:
16.6		 2q0jB-2q42A:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 5 ASP A  89
HIS A  90
HIS A 152
ASP A 171
HIS A 230
 FEO  A 701 ( 2.4A)
FEO  A 701 (-3.3A)
FEO  A 701 ( 3.4A)
FEO  A 701 ( 2.5A)
FEO  A 701 ( 3.3A)
 0.88A 2q0jB-2q9uA:
20.3		 2q0jB-2q9uA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qed HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		6 ASP A  57
HIS A  58
HIS A 110
ASP A 127
PHE A 138
HIS A 165
 FE  A 252 (-2.6A)
FE  A 252 (-3.2A)
FE  A 253 (-3.2A)
FE  A 252 ( 2.3A)
None
FE  A 252 (-3.2A)
 0.55A 2q0jB-2qedA:
16.0		 2q0jB-2qedA:
23.49
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.
2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD

(Lactobacillus
paracasei) 		PF04909
(Amidohydro_2) 		5 HIS A  17
HIS A 263
ASP A 317
LEU A 287
HIS A  19
 ZN  A 376 (-3.3A)
ZN  A 377 (-3.1A)
ZN  A 376 (-2.6A)
None
ZN  A 376 (-3.3A)
 1.29A 2q0jB-2qpxA:
undetectable		 2q0jB-2qpxA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 413
HIS A 412
ASP A 530
LEU A 531
HIS A 376
 MG  A   2 ( 2.6A)
ZN  A   1 (-3.3A)
ZN  A   1 (-2.5A)
None
ZN  A   1 (-3.3A)
 1.25A 2q0jB-2qykA:
undetectable		 2q0jB-2qykA:
22.93
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.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		5 ASP A 115
HIS A 116
HIS A 191
ASP A 213
HIS A 259
 PO4  A 279 (-2.9A)
ZN  A 277 ( 3.2A)
ZN  A 278 ( 3.2A)
ZN  A 277 (-2.0A)
ZN  A 277 (-3.2A)
 0.62A 2q0jB-2r2dA:
12.7		 2q0jB-2r2dA:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		11 ASP A  73
HIS A  74
HIS A 159
ASP A 178
GLU A 182
LEU A 193
PHE A 195
HIS A 221
SER A 273
LEU A 277
HIS A 282
 FE2  A 401 ( 2.8A)
FE2  A 401 (-3.3A)
FE2  A 402 ( 3.3A)
FE2  A 401 (-2.5A)
None
CAC  A 403 ( 4.5A)
CAC  A 403 (-4.8A)
FE2  A 401 ( 3.4A)
None
CAC  A 403 ( 4.7A)
None
 0.15A 2q0jB-2vw8A:
52.3		 2q0jB-2vw8A:
94.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		6 HIS A  69
ASP A 178
GLU A 182
LEU A 193
PHE A 195
HIS A 282
 FE2  A 402 (-3.4A)
FE2  A 401 (-2.5A)
None
CAC  A 403 ( 4.5A)
CAC  A 403 (-4.8A)
None
 1.10A 2q0jB-2vw8A:
52.3		 2q0jB-2vw8A:
94.69
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.
2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B) 		6 ASP A  60
HIS A  61
HIS A 132
ASP A 151
PHE A 163
HIS A 192
 ZN  A1211 ( 2.8A)
ZN  A1211 (-3.3A)
None
ZN  A1211 (-2.4A)
PG4  A1212 (-4.6A)
ZN  A1211 (-3.3A)
 0.87A 2q0jB-2xf4A:
18.5		 2q0jB-2xf4A:
24.62
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ASP A 246
HIS A 247
HIS A 329
ASP A 352
HIS A 604
 ZN  A1639 (-2.7A)
ZN  A1639 (-3.3A)
ZN  A1638 (-3.5A)
ZN  A1639 ( 2.3A)
ZN  A1639 (-3.3A)
 0.63A 2q0jB-2xr1A:
12.1		 2q0jB-2xr1A:
16.15
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ASP A 246
HIS A 247
HIS A 329
ASP A 352
HIS A 603
 PO4  A1639 ( 3.8A)
ZN  A1637 ( 3.2A)
ZN  A1638 ( 3.3A)
ZN  A1637 (-2.2A)
ZN  A1637 ( 3.2A)
 0.88A 2q0jB-2ycbA:
11.7		 2q0jB-2ycbA:
18.83
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 ASP A  74
HIS A  75
HIS A 171
ASP A 190
HIS A 233
 ZN  A 319 (-2.8A)
ZN  A 319 (-3.2A)
ZN  A 318 (-3.3A)
ZN  A 319 ( 2.4A)
ZN  A 319 (-3.3A)
 0.52A 2q0jB-2zo4A:
21.9		 2q0jB-2zo4A:
27.38
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.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 ASP A  58
HIS A  59
HIS A 125
ASP A 144
HIS A 184
 ZN  A 208 (-2.7A)
ZN  A 208 (-3.2A)
ZN  A 209 (-3.3A)
ZN  A 208 ( 2.5A)
ZN  A 208 (-3.2A)
 0.55A 2q0jB-2zwrA:
17.8		 2q0jB-2zwrA:
24.76
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.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		5 ASP A  62
HIS A  63
HIS A 148
ASP A 165
HIS A 207
 ZN  A 263 (-2.7A)
ZN  A 263 (-3.4A)
ZN  A 262 (-3.3A)
ZN  A 263 ( 2.5A)
ZN  A 263 (-3.3A)
 0.29A 2q0jB-3adrA:
22.3		 2q0jB-3adrA:
26.11
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.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		5 ASP A  62
HIS A  63
HIS A 148
ASP A 165
LEU A 105
 ZN  A 263 (-2.7A)
ZN  A 263 (-3.4A)
ZN  A 262 (-3.3A)
ZN  A 263 ( 2.5A)
None
 0.97A 2q0jB-3adrA:
22.3		 2q0jB-3adrA:
26.11
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.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		5 ASP A 165
HIS A 207
ASP A  62
HIS A  63
HIS A 151
 ZN  A 263 ( 2.5A)
ZN  A 263 (-3.3A)
ZN  A 263 (-2.7A)
ZN  A 263 (-3.4A)
None
 1.30A 2q0jB-3adrA:
22.3		 2q0jB-3adrA:
26.11
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ASP A 260
HIS A 261
HIS A 344
ASP A 367
HIS A 618
 ZN  A 665 ( 2.9A)
ZN  A 665 (-3.3A)
ZN  A 662 (-3.4A)
ZN  A 665 (-2.5A)
ZN  A 665 ( 3.3A)
 0.58A 2q0jB-3af5A:
11.8		 2q0jB-3af5A:
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.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 654
HIS A 653
ASP A 764
LEU A 765
HIS A 617
 MG  A 877 ( 2.5A)
ZN  A 876 (-3.3A)
ZN  A 876 (-2.5A)
WAN  A 901 ( 4.7A)
ZN  A 876 (-3.3A)
 1.27A 2q0jB-3bjcA:
undetectable		 2q0jB-3bjcA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 ASP A 313
HIS A  56
GLU A 182
HIS A 236
SER A 286
 ZN  A 502 (-2.7A)
ZN  A 502 (-3.3A)
None
ZN  A 501 (-3.4A)
None
 1.25A 2q0jB-3dc8A:
undetectable		 2q0jB-3dc8A:
20.86
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ASP A 328
HIS A  82
HIS A 277
SER A 308
LEU A 306
 ZN  A1452 (-2.8A)
ZN  A1452 (-3.3A)
None
None
None
 1.03A 2q0jB-3e0lA:
undetectable		 2q0jB-3e0lA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 ASP A 112
HIS A 113
HIS A 185
ASP A 206
HIS A 251
 None
 0.40A 2q0jB-3eshA:
11.8		 2q0jB-3eshA:
20.35
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.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 ASP A  80
HIS A  81
HIS A 143
ASP A 164
HIS A 222
 MLT  A 500 ( 2.8A)
MN  A 401 (-3.5A)
MN  A 400 ( 3.4A)
MN  A 401 (-2.1A)
MN  A 401 (-3.7A)
 0.96A 2q0jB-3g1pA:
10.5		 2q0jB-3g1pA:
20.23
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 ASP A  61
HIS A  62
HIS A 170
PHE A 135
HIS A 224
 ZN  A 256 ( 4.5A)
ZN  A 256 ( 4.8A)
ZN  A 256 (-3.6A)
None
None
 0.69A 2q0jB-3h3eA:
9.1		 2q0jB-3h3eA:
27.25
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 ASP A  63
HIS A  64
HIS A 141
ASP A 162
HIS A 400
 ZN  A 452 (-2.5A)
ZN  A 452 (-3.5A)
ZN  A 453 (-3.3A)
ZN  A 452 ( 2.6A)
ZN  A 452 (-3.3A)
 0.61A 2q0jB-3ie1A:
11.7		 2q0jB-3ie1A:
24.52
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 ASP A 162
HIS A 400
ASP A  63
HIS A  64
LEU A 142
 ZN  A 452 ( 2.6A)
ZN  A 452 (-3.3A)
ZN  A 452 (-2.5A)
ZN  A 452 (-3.5A)
None
 1.16A 2q0jB-3ie1A:
11.7		 2q0jB-3ie1A:
24.52
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 ASP A  83
HIS A  84
HIS A 146
ASP A 168
HIS A 215
 ZN  A 303 (-2.7A)
ZN  A 303 (-3.4A)
ZN  A 302 (-3.3A)
ZN  A 303 ( 2.5A)
ZN  A 303 (-3.3A)
 0.64A 2q0jB-3kl7A:
9.8		 2q0jB-3kl7A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 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 ASP A 331
HIS A  88
HIS A 280
SER A 311
LEU A 309
 CA  A 471 (-2.7A)
CA  A 471 (-3.6A)
None
None
None
 1.06A 2q0jB-3lnpA:
undetectable		 2q0jB-3lnpA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 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  88
HIS A 216
HIS A 280
SER A 311
LEU A 309
 CA  A 471 (-3.6A)
None
None
None
None
 1.29A 2q0jB-3lnpA:
undetectable		 2q0jB-3lnpA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mzo LIN2634 PROTEIN

(Listeria
innocua) 		PF12917
(HD_2) 		5 ASP A  68
HIS A  67
ASP A 137
GLU A 144
LEU A 141
 CA  A 301 ( 2.6A)
CA  A 301 ( 4.0A)
CA  A 301 (-2.7A)
None
None
 1.18A 2q0jB-3mzoA:
undetectable		 2q0jB-3mzoA:
20.36
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.
3mzo LIN2634 PROTEIN

(Listeria
innocua) 		PF12917
(HD_2) 		5 ASP A  68
HIS A  67
ASP A 137
LEU A 141
HIS A  33
 CA  A 301 ( 2.6A)
CA  A 301 ( 4.0A)
CA  A 301 (-2.7A)
None
CA  A 301 (-3.8A)
 1.28A 2q0jB-3mzoA:
undetectable		 2q0jB-3mzoA:
20.36
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 275
HIS A 274
ASP A 392
LEU A 393
HIS A 238
 MG  A 504 ( 2.6A)
ZN  A   1 (-3.3A)
ZN  A   1 (-2.6A)
None
ZN  A   1 (-3.3A)
 1.30A 2q0jB-3o57A:
undetectable		 2q0jB-3o57A:
21.09
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		5 ASP A  90
HIS A  91
HIS A 170
ASP A 188
HIS A 241
 MN  A 300 ( 2.6A)
MN  A 300 (-3.4A)
MN  A 301 ( 3.4A)
MN  A 300 (-2.5A)
MN  A 300 ( 3.4A)
 0.82A 2q0jB-3py6A:
10.2		 2q0jB-3py6A:
23.30
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		5 ASP A  90
HIS A  91
HIS A 170
ASP A 188
HIS A 243
 MN  A 300 ( 2.6A)
MN  A 300 (-3.4A)
MN  A 301 ( 3.4A)
MN  A 300 (-2.5A)
TAR  A 304 (-4.2A)
 1.29A 2q0jB-3py6A:
10.2		 2q0jB-3py6A:
23.30
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.
3q1t ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 ASP A 155
ASP A 144
LEU A 174
HIS A 146
SER A 240
 None
 1.26A 2q0jB-3q1tA:
undetectable		 2q0jB-3q1tA:
22.84
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.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 ASP A  60
HIS A 119
ASP A 145
HIS A 195
SER A 199
 FE  A 443 ( 4.2A)
FE  A 443 (-3.4A)
FE  A 443 (-3.2A)
None
None
 0.99A 2q0jB-3r2uA:
14.6		 2q0jB-3r2uA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rpc POSSIBLE
METAL-DEPENDENT
HYDROLASE

(Veillonella
parvula) 		PF12706
(Lactamase_B_2) 		5 ASP A  73
HIS A  74
HIS A 129
ASP A 165
HIS A 223
 ZN  A 302 (-2.8A)
ZN  A 302 (-3.4A)
ZN  A 301 (-3.3A)
ZN  A 302 ( 2.5A)
ZN  A 302 (-3.5A)
 0.56A 2q0jB-3rpcA:
8.6		 2q0jB-3rpcA:
22.42
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.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 201
HIS A 200
ASP A 318
LEU A 319
HIS A 164
 ASP  A 201 ( 0.5A)
HIS  A 200 (-1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
HIS  A 164 (-1.0A)
 1.25A 2q0jB-3sl5A:
undetectable		 2q0jB-3sl5A:
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 ASP A  79
HIS A  80
HIS A 150
ASP A 172
HIS A 398
 ZN  A 600 (-2.5A)
ZN  A 600 (-3.6A)
None
ZN  A 600 (-2.4A)
ZN  A 600 (-3.6A)
 0.87A 2q0jB-3t3oA:
10.6		 2q0jB-3t3oA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		5 HIS A 119
HIS A 195
HIS A  78
SER A  22
LEU A  24
 MN  A1002 (-3.4A)
MN  A1001 (-3.5A)
MN  A1002 (-3.6A)
None
None
 1.17A 2q0jB-3wqoA:
undetectable		 2q0jB-3wqoA:
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.
3x2z UPF0173
METAL-DEPENDENT
HYDROLASE TM_1162

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		5 ASP A  52
HIS A  53
HIS A 108
ASP A 141
HIS A 190
 NI  A 302 (-2.7A)
NI  A 302 (-3.6A)
NI  A 301 (-3.4A)
NI  A 302 ( 2.5A)
NI  A 302 (-3.6A)
 0.69A 2q0jB-3x2zA:
10.3		 2q0jB-3x2zA:
19.11
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ASP A  78
HIS A  79
HIS A 142
ASP A 164
HIS A 390
 ZN  A1556 (-2.5A)
ZN  A1556 (-3.2A)
ZN  A1557 (-3.3A)
ZN  A1556 ( 2.7A)
ZN  A1556 (-3.4A)
 0.65A 2q0jB-3zq4A:
10.8		 2q0jB-3zq4A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		5 ASP A  66
HIS A  67
HIS A 182
ASP A 253
HIS A 313
 ZN  A1363 ( 2.6A)
ZN  A1363 (-3.4A)
ZN  A1364 ( 3.5A)
ZN  A1363 (-2.5A)
ZN  A1363 ( 3.4A)
 0.67A 2q0jB-3zwfA:
9.7		 2q0jB-3zwfA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		5 HIS A  67
HIS A 182
ASP A 253
HIS A 313
SER A 315
 ZN  A1363 (-3.4A)
ZN  A1364 ( 3.5A)
ZN  A1363 (-2.5A)
ZN  A1363 ( 3.4A)
None
 0.93A 2q0jB-3zwfA:
9.7		 2q0jB-3zwfA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 ASP A  81
HIS A  82
HIS A 145
ASP A 164
HIS A 199
 ZN  A1000 (-2.8A)
ZN  A1000 (-3.4A)
ZN  A1001 (-3.3A)
ZN  A1000 ( 2.3A)
ZN  A1000 (-3.3A)
 0.29A 2q0jB-4ad9A:
21.1		 2q0jB-4ad9A:
23.42
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 ASP A 309
HIS A  72
HIS A 258
SER A 289
LEU A 287
 ZN  A 501 (-2.6A)
ZN  A 501 (-3.3A)
None
None
None
 1.03A 2q0jB-4dykA:
undetectable		 2q0jB-4dykA:
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 ASP A 309
HIS A 194
HIS A 258
SER A 289
LEU A 287
 ZN  A 501 (-2.6A)
None
None
None
None
 0.97A 2q0jB-4dykA:
undetectable		 2q0jB-4dykA:
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 ASP A 315
HIS A  78
HIS A 264
SER A 295
LEU A 293
 ZN  A 505 ( 2.0A)
ZN  A 504 (-3.3A)
ZN  A 505 ( 4.8A)
None
None
 1.02A 2q0jB-4dzhA:
undetectable		 2q0jB-4dzhA:
23.25
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.
4evd NEUTROPHIL-ACTIVATIN
G PROTEIN

(Helicobacter
pylori) 		PF00210
(Ferritin) 		5 ASP A  13
LEU A  17
PHE A  47
HIS A 101
LEU A 132
 None
None
None
CD  A 203 (-3.5A)
None
 1.29A 2q0jB-4evdA:
undetectable		 2q0jB-4evdA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		5 ASP A 307
HIS A  70
HIS A 256
SER A 287
LEU A 285
 NOS  A 501 (-2.8A)
None
NOS  A 501 (-4.0A)
None
None
 1.07A 2q0jB-4f0sA:
undetectable		 2q0jB-4f0sA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 808
HIS A 656
ASP A 697
GLU A 727
LEU A 770
 ZN  A1001 (-2.5A)
None
MG  A1002 ( 2.6A)
None
None
 1.23A 2q0jB-4htzA:
undetectable		 2q0jB-4htzA:
21.20
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		5 ASP A 100
HIS A 101
HIS A 185
ASP A 207
HIS A 252
 ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.1A)
ZN  A 301 ( 3.3A)
 0.57A 2q0jB-4keqA:
12.9		 2q0jB-4keqA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		5 ASP A 143
HIS A 144
ASP A 247
LEU A 250
PHE A 263
 ZN  A 406 (-2.6A)
ZN  A 406 (-3.2A)
ZN  A 406 ( 2.3A)
None
None
 1.17A 2q0jB-4le6A:
12.2		 2q0jB-4le6A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		5 ASP A 143
HIS A 144
HIS A 226
ASP A 247
HIS A 294
 ZN  A 406 (-2.6A)
ZN  A 406 (-3.2A)
ZN  A 405 (-3.1A)
ZN  A 406 ( 2.3A)
ZN  A 406 (-3.2A)
 0.58A 2q0jB-4le6A:
12.2		 2q0jB-4le6A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		5 ASP A 143
HIS A 144
HIS A 226
ASP A 247
PHE A 263
 ZN  A 406 (-2.6A)
ZN  A 406 (-3.2A)
ZN  A 405 (-3.1A)
ZN  A 406 ( 2.3A)
None
 1.04A 2q0jB-4le6A:
12.2		 2q0jB-4le6A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		5 ASP A 123
HIS A 125
ASP A 139
PHE A 119
LEU A  94
 None
 1.31A 2q0jB-4mh1A:
undetectable		 2q0jB-4mh1A:
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		5 ASP A 132
HIS A 133
HIS A 213
ASP A 244
HIS A 326
 ZN  A 404 ( 2.6A)
ZN  A 404 (-3.3A)
ZN  A 403 ( 3.3A)
ZN  A 404 (-2.4A)
ZN  A 404 ( 3.3A)
 0.71A 2q0jB-4ojxA:
9.8		 2q0jB-4ojxA:
22.90
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		5 ASP A 189
HIS A 190
HIS A 253
ASP A 284
HIS A 343
 ZN  A 502 ( 2.5A)
ZN  A 502 (-3.5A)
ZN  A 501 ( 3.5A)
ZN  A 502 (-2.5A)
ZN  A 502 ( 3.6A)
 0.56A 2q0jB-4qn9A:
8.9		 2q0jB-4qn9A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 ASP A 317
HIS A  61
GLU A 186
HIS A 240
HIS A 209
 ZN  A 501 (-2.8A)
ZN  A 501 (-3.4A)
None
ZN  A 502 (-3.5A)
None
 1.23A 2q0jB-4tqtA:
undetectable		 2q0jB-4tqtA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 ASP A 121
HIS A 122
HIS A 172
ASP A 195
HIS A 234
 FE  A1243 (-2.9A)
FE  A1243 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 ( 2.4A)
FE  A1243 (-3.2A)
 0.60A 2q0jB-4v0hA:
13.2		 2q0jB-4v0hA:
25.14
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.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 ASP A 159
HIS A 160
HIS A 244
ASP A 265
HIS A 312
 ZN  A 401 (-2.7A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.3A)
ZN  A 401 ( 2.5A)
ZN  A 401 (-3.4A)
 0.63A 2q0jB-4xukA:
15.5		 2q0jB-4xukA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ASP A  88
HIS A  89
HIS A 153
ASP A 175
HIS A 403
 ZN  A 602 (-2.7A)
ZN  A 602 (-3.3A)
ZN  A 601 (-3.4A)
ZN  A 602 ( 2.5A)
ZN  A 602 (-3.2A)
 0.61A 2q0jB-4xwtA:
11.2		 2q0jB-4xwtA:
20.39
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 ASP A 149
HIS A 150
HIS A 237
ASP A 258
HIS A 305
 ZN  A 402 ( 2.6A)
ZN  A 402 (-3.2A)
ZN  A 401 ( 3.2A)
ZN  A 402 (-2.3A)
ZN  A 402 ( 3.3A)
 0.53A 2q0jB-4zo3A:
14.7		 2q0jB-4zo3A:
19.94
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 ASP A 149
HIS A 150
HIS A 237
ASP A 258
PHE A 274
 ZN  A 402 ( 2.6A)
ZN  A 402 (-3.2A)
ZN  A 401 ( 3.2A)
ZN  A 402 (-2.3A)
C6L  A 403 (-4.7A)
 1.11A 2q0jB-4zo3A:
14.7		 2q0jB-4zo3A:
19.94
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ASP A  88
HIS A  89
HIS A 151
ASP A 173
HIS A 399
 ZN  A1457 (-2.7A)
ZN  A1457 (-3.5A)
ZN  A1458 (-3.6A)
ZN  A1457 ( 2.7A)
ZN  A1457 (-3.5A)
 0.64A 2q0jB-5a0tA:
11.5		 2q0jB-5a0tA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A 399
HIS A  84
ASP A 173
HIS A 377
HIS A 244
 ZN  A1457 (-3.5A)
ZN  A1458 (-3.6A)
ZN  A1457 ( 2.7A)
G  E   1 ( 3.9A)
None
 1.19A 2q0jB-5a0tA:
11.5		 2q0jB-5a0tA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		5 HIS A  31
HIS A 276
ASP A 120
HIS A  36
SER A   0
 ZN  A1321 (-3.3A)
TLA  A1319 ( 3.9A)
ZN  A1320 (-2.5A)
ZN  A1320 ( 3.4A)
None
 1.21A 2q0jB-5ahoA:
7.4		 2q0jB-5ahoA:
21.25
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		5 ASP A 118
HIS A 119
HIS A 200
ASP A 221
HIS A 268
 ZN  A 401 ( 2.5A)
ZN  A 401 (-3.3A)
ZN  A 402 (-3.4A)
ZN  A 401 ( 2.4A)
ZN  A 401 ( 3.2A)
 0.57A 2q0jB-5hifA:
15.1		 2q0jB-5hifA:
23.78
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		5 ASP A  98
HIS A  99
HIS A 205
ASP A 224
HIS A 269
 ZN  A 401 (-3.0A)
ZN  A 401 (-3.5A)
ZN  A 400 (-3.4A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.5A)
 0.47A 2q0jB-5i0pA:
22.4		 2q0jB-5i0pA:
27.63
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.
5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1)
PF00301
(Rubredoxin)
PF00753
(Lactamase_B) 		5 ASP A  83
HIS A  84
HIS A 147
ASP A 166
HIS A 227
 FEO  A 501 ( 2.5A)
FEO  A 501 (-3.2A)
FEO  A 501 ( 3.4A)
FEO  A 501 ( 2.5A)
FEO  A 501 ( 3.3A)
 0.78A 2q0jB-5lmcA:
19.6		 2q0jB-5lmcA:
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		6 ASP A 544
HIS A 545
HIS A 670
ASP A 699
HIS A 759
SER A 761
 ZN  A 902 ( 2.6A)
ZN  A 902 (-3.4A)
ZN  A 901 ( 3.5A)
ZN  A 902 (-2.3A)
ZN  A 902 ( 3.2A)
None
 0.80A 2q0jB-5mtzA:
7.5		 2q0jB-5mtzA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 HIS A 150
HIS A 111
ASP A 153
GLU A  89
HIS A 175
 MN  A 801 (-2.9A)
None
MN  A 801 (-2.0A)
None
MN  A 801 (-3.1A)
 1.20A 2q0jB-5svcA:
undetectable		 2q0jB-5svcA:
17.62
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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 HIS A 254
HIS A 271
ASP A 171
SER A 125
LEU A 127
 ZN  A 401 (-3.4A)
ZN  A 401 ( 3.4A)
ZN  A 401 (-2.3A)
None
None
 1.24A 2q0jB-5xn8A:
undetectable		 2q0jB-5xn8A:
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A 316
HIS A  59
GLU A 185
HIS A 239
SER A 289
 ZN  A 502 (-2.9A)
ZN  A 502 (-3.4A)
None
ZN  A 501 (-3.4A)
None
 1.21A 2q0jB-5ykdA:
undetectable		 2q0jB-5ykdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		5 ASP A  98
HIS A  99
HIS A 205
ASP A 224
HIS A 269
 CA  A 403 (-3.0A)
CA  A 403 (-3.7A)
CA  A 404 (-3.3A)
CA  A 403 ( 2.2A)
CA  A 403 (-3.7A)
 0.53A 2q0jB-6ao1A:
22.4		 2q0jB-6ao1A:
27.96
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.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		5 ASP A  98
HIS A  99
HIS A 205
ASP A 224
LEU A  40
 CA  A 403 (-3.0A)
CA  A 403 (-3.7A)
CA  A 404 (-3.3A)
CA  A 403 ( 2.2A)
None
 1.14A 2q0jB-6ao1A:
22.4		 2q0jB-6ao1A:
27.96
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.
6brm PUTATIVE
METAL-DEPENDENT
ISOTHIOCYANATE
HYDROLASE SAXA

(Pectobacterium
carotovorum) 		no annotation 5 ASP A  71
HIS A  72
HIS A 128
ASP A 164
HIS A 221
 ZN  A 302 (-2.7A)
ZN  A 302 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 302 ( 2.5A)
ZN  A 302 (-3.4A)
 0.56A 2q0jB-6brmA:
8.2		 2q0jB-6brmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ch0 -

(-) 		no annotation 5 ASP C 122
HIS C 123
HIS C 198
ASP C 220
HIS C 266
 CO  C 301 ( 2.6A)
CO  C 301 (-3.3A)
CO  C 302 ( 3.4A)
CO  C 301 (-2.1A)
CO  C 301 ( 3.3A)
 0.53A 2q0jB-6ch0C:
13.4		 2q0jB-6ch0C:
undetectable