SIMILAR PATTERNS OF AMINO ACIDS FOR 4EXS_B_X8ZB301_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.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		7 VAL A  31
HIS A  79
ASP A  81
HIS A 139
CYH A 158
ASN A 167
HIS A 197
 None
ZN  A 500 (-3.4A)
ZN  A 501 ( 2.7A)
ZN  A 500 (-3.3A)
ZN  A 501 ( 2.4A)
ACY  A 510 (-4.4A)
ZN  A 501 ( 3.4A)
 0.61A 4exsB-1ddkA:
30.5		 4exsB-1ddkA:
29.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hlk BETA-LACTAMASE, TYPE
II

(Bacteroides
fragilis) 		no annotation 7 VAL A  52
HIS A 101
ASP A 103
HIS A 162
CYH A 181
ASN A 193
HIS A 223
 113  A2002 ( 4.9A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 (-4.1A)
113  A2002 ( 3.6A)
 0.55A 4exsB-1hlkA:
32.2		 4exsB-1hlkA:
27.34
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.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		4 HIS A 118
ASP A 120
HIS A 116
HIS A 263
 ZN  A   1 ( 3.2A)
ZN  A   2 ( 2.6A)
ZN  A   1 (-3.4A)
ZN  A   2 ( 3.3A)
 0.89A 4exsB-1l9yA:
17.8		 4exsB-1l9yA:
19.32
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.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		4 HIS A 118
ASP A 120
HIS A 196
HIS A 263
 ZN  A   1 ( 3.2A)
ZN  A   2 ( 2.6A)
ZN  A   1 ( 3.3A)
ZN  A   2 ( 3.3A)
 0.79A 4exsB-1l9yA:
17.8		 4exsB-1l9yA:
19.32
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.
1m2x CLASS B
CARBAPENEMASE BLAB-1

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		5 HIS A 118
ASP A 120
HIS A 196
CYH A 221
HIS A 263
 ZN  A 901 ( 3.1A)
ZN  A 902 ( 2.5A)
ZN  A 901 ( 3.2A)
ZN  A 902 (-2.3A)
ZN  A 902 (-3.2A)
 0.21A 4exsB-1m2xA:
29.1		 4exsB-1m2xA:
27.04
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.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		4 HIS A 131
ASP A 192
HIS A 101
HIS A   9
 ZN  A 303 (-3.4A)
ZN  A 302 (-2.6A)
ZN  A 303 (-3.2A)
ZN  A 302 (-3.3A)
 0.86A 4exsB-1m68A:
undetectable		 4exsB-1m68A:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		4 HIS A 149
ASP A 151
HIS A 234
HIS A 302
 ZN  A 402 (-3.1A)
ZN  A 401 (-2.6A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
 0.67A 4exsB-1p9eA:
15.7		 4exsB-1p9eA:
26.52
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		4 HIS A  56
ASP A  58
HIS A 110
HIS A 173
 ZN  A 261 ( 3.3A)
ZN  A 262 (-2.7A)
ZN  A 261 (-3.3A)
ZN  A 262 (-3.3A)
 0.69A 4exsB-1qh5A:
2.3		 4exsB-1qh5A:
20.88
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		4 HIS A  86
ASP A  88
HIS A  84
HIS A 225
 ZN  A 271 (-3.2A)
ZN  A 270 (-2.4A)
ZN  A 271 (-3.2A)
ZN  A 270 (-3.2A)
 0.92A 4exsB-1smlA:
5.4		 4exsB-1smlA:
24.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		4 HIS A  86
ASP A  88
HIS A 160
HIS A 225
 ZN  A 271 (-3.2A)
ZN  A 270 (-2.4A)
ZN  A 271 (-3.2A)
ZN  A 270 (-3.2A)
 0.67A 4exsB-1smlA:
5.4		 4exsB-1smlA:
24.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkp HYPOTHETICAL PROTEIN
BA1088

(Bacillus
anthracis) 		PF12706
(Lactamase_B_2) 		4 HIS A  61
ASP A  63
HIS A 134
HIS A 211
 ZN  A 245 (-3.1A)
ZN  A 246 (-2.7A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 0.70A 4exsB-1zkpA:
10.0		 4exsB-1zkpA:
24.41
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.
1ztc HYPOTHETICAL PROTEIN
TM0894

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		4 HIS A  71
ASP A  73
HIS A 140
HIS A 199
 NI  A 302 (-3.2A)
NI  A 301 (-3.2A)
NI  A 302 (-3.4A)
NI  A 301 (-3.4A)
 0.87A 4exsB-1ztcA:
14.1		 4exsB-1ztcA:
17.75
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		4 HIS A 106
ASP A 108
HIS A 169
HIS A 235
 ZN  A 252 ( 3.2A)
ZN  A 251 ( 2.7A)
ZN  A 252 (-3.3A)
ZN  A 251 (-3.3A)
 0.63A 4exsB-2a7mA:
14.8		 4exsB-2a7mA:
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.
2az4 HYPOTHETICAL PROTEIN
EF2904

(Enterococcus
faecalis) 		PF12706
(Lactamase_B_2) 		4 HIS A  94
ASP A  96
HIS A 167
HIS A 404
 ZN  A 601 (-3.4A)
ZN  A 602 (-2.8A)
ZN  A 601 (-3.4A)
ZN  A 602 (-3.5A)
 0.84A 4exsB-2az4A:
11.1		 4exsB-2az4A:
23.18
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		4 HIS A  66
ASP A  68
HIS A 141
HIS A 270
 ZN  A 401 (-3.2A)
ZN  A 402 (-2.6A)
ZN  A 401 (-3.4A)
ZN  A 402 (-3.3A)
 0.70A 4exsB-2cbnA:
9.4		 4exsB-2cbnA:
23.90
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.
2e7y TRNASE Z

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		4 HIS A  50
ASP A  52
HIS A 134
HIS A 244
 ZN  A1302 (-3.4A)
ZN  A1301 (-3.2A)
ZN  A1302 (-3.7A)
ZN  A1301 (-3.1A)
 0.81A 4exsB-2e7yA:
3.9		 4exsB-2e7yA:
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.
2fhx SPM-1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 HIS B 118
ASP B 120
HIS B 196
HIS B 263
 ZN  B 317 (-3.2A)
ZN  B 317 ( 4.0A)
ZN  B 317 ( 3.2A)
CSO  B 221 (-3.5A)
 0.56A 4exsB-2fhxB:
29.1		 4exsB-2fhxB:
26.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		4 HIS A 103
ASP A 105
HIS A 101
HIS A 242
 ZN  A 801 (-3.1A)
ZN  A 802 (-2.5A)
ZN  A 801 (-3.2A)
ZN  A 802 (-3.2A)
 0.85A 4exsB-2gmnA:
17.5		 4exsB-2gmnA:
26.43
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.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		4 HIS A 103
ASP A 105
HIS A 177
HIS A 242
 ZN  A 801 (-3.1A)
ZN  A 802 (-2.5A)
ZN  A 801 (-3.2A)
ZN  A 802 (-3.2A)
 0.81A 4exsB-2gmnA:
17.5		 4exsB-2gmnA:
26.43
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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 HIS A  73
ASP A  75
HIS A 158
HIS A 418
 ZN  A 482 ( 3.2A)
ZN  A 481 ( 2.6A)
ZN  A 482 ( 3.3A)
ZN  A 481 ( 3.4A)
 0.78A 4exsB-2i7tA:
7.2		 4exsB-2i7tA:
19.44
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 VAL A 529
ASP A 349
ASN A 452
HIS A 435
 None
 0.94A 4exsB-2iceA:
undetectable		 4exsB-2iceA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		7 VAL A  39
TRP A  59
HIS A  88
ASP A  90
HIS A 149
ASN A 180
HIS A 210
 None
None
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 (-3.2A)
None
ZN  A 302 (-4.1A)
 0.82A 4exsB-2nypA:
31.1		 4exsB-2nypA:
29.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		4 HIS A  78
ASP A  80
HIS A 139
HIS A 210
 ZN  A 302 ( 3.2A)
ZN  A 301 ( 2.7A)
ZN  A 302 ( 3.2A)
ZN  A 301 ( 3.3A)
 0.66A 4exsB-2p18A:
3.9		 4exsB-2p18A:
23.03
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		4 HIS A  78
ASP A  80
HIS A 200
HIS A 255
 FE  A1001 (-3.3A)
FE  A1002 (-2.5A)
FE  A1001 (-3.3A)
FE  A1002 (-3.5A)
 0.92A 4exsB-2p4zA:
9.2		 4exsB-2p4zA:
20.83
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.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		4 HIS A  56
ASP A  58
HIS A 112
HIS A 169
 ZN  A 700 (-3.2A)
FE  A 701 (-2.6A)
ZN  A 700 (-3.3A)
FE  A 701 (-3.3A)
 0.65A 4exsB-2q42A:
16.5		 4exsB-2q42A:
23.39
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.
2qed HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		4 HIS A  55
ASP A  57
HIS A 110
HIS A 165
 FE  A 253 (-3.2A)
FE  A 252 (-2.6A)
FE  A 253 (-3.2A)
FE  A 252 (-3.2A)
 0.62A 4exsB-2qedA:
3.7		 4exsB-2qedA:
18.64
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.
2r1d NEUREXIN-1-BETA

(Rattus
norvegicus) 		PF02210
(Laminin_G_2) 		4 VAL A 143
TRP A 146
ASN A 123
HIS A 128
 None
 0.90A 4exsB-2r1dA:
undetectable		 4exsB-2r1dA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 HIS A  71
ASP A  73
HIS A 159
HIS A 221
 FE2  A 402 ( 3.2A)
FE2  A 401 ( 2.8A)
FE2  A 402 ( 3.3A)
FE2  A 401 ( 3.4A)
 0.85A 4exsB-2vw8A:
5.7		 4exsB-2vw8A:
21.58
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		4 HIS A 456
ASP A 516
HIS A 428
HIS A 334
 ZN  A1567 (-3.6A)
ZN  A1566 (-2.5A)
ZN  A1567 (-3.4A)
ZN  A1566 (-3.5A)
 0.90A 4exsB-2w9mA:
undetectable		 4exsB-2w9mA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B) 		4 HIS A  58
ASP A  60
HIS A 132
HIS A 192
 PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.79A 4exsB-2xf4A:
18.5		 4exsB-2xf4A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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) 		4 HIS A 244
ASP A 246
HIS A 329
HIS A 604
 ZN  A1638 (-3.0A)
ZN  A1639 (-2.7A)
ZN  A1638 (-3.5A)
ZN  A1639 (-3.3A)
 0.77A 4exsB-2xr1A:
9.9		 4exsB-2xr1A:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynt GIM-1 PROTEIN

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 TRP B  87
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 1.04A 4exsB-2yntB:
32.1		 4exsB-2yntB:
29.66
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.
2ynt GIM-1 PROTEIN

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		6 VAL B  67
HIS B 118
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 0.47A 4exsB-2yntB:
32.1		 4exsB-2yntB:
29.66
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		4 HIS A  72
ASP A  74
ASN A 199
HIS A 233
 ZN  A 318 (-3.3A)
ZN  A 319 (-2.8A)
None
ZN  A 319 (-3.3A)
 0.76A 4exsB-2zo4A:
18.9		 4exsB-2zo4A:
24.25
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		4 HIS A  72
ASP A  74
HIS A 171
HIS A 233
 ZN  A 318 (-3.3A)
ZN  A 319 (-2.8A)
ZN  A 318 (-3.3A)
ZN  A 319 (-3.3A)
 0.64A 4exsB-2zo4A:
18.9		 4exsB-2zo4A:
24.25
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.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		4 HIS A  56
ASP A  58
HIS A 125
HIS A 184
 ZN  A 209 (-3.2A)
ZN  A 208 (-2.7A)
ZN  A 209 (-3.3A)
ZN  A 208 (-3.2A)
 0.71A 4exsB-2zwrA:
18.2		 4exsB-2zwrA:
22.97
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.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		4 HIS A  60
ASP A  62
HIS A 148
HIS A 207
 ZN  A 262 (-3.3A)
ZN  A 263 (-2.7A)
ZN  A 262 (-3.3A)
ZN  A 263 (-3.3A)
 0.75A 4exsB-3adrA:
16.6		 4exsB-3adrA:
20.48
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 HIS A 258
ASP A 260
HIS A 344
HIS A 618
 ZN  A 662 ( 3.3A)
ZN  A 665 ( 2.9A)
ZN  A 662 (-3.4A)
ZN  A 665 ( 3.3A)
 0.81A 4exsB-3af5A:
9.7		 4exsB-3af5A:
17.30
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.
3bb8 CDP-4-KETO-6-DEOXY-D
-GLUCOSE-3-DEHYDRASE

(Yersinia
pseudotuberculosis) 		PF01041
(DegT_DnrJ_EryC1) 		4 VAL A 425
HIS A 419
ASP A 423
ASN A 316
 None
 0.86A 4exsB-3bb8A:
undetectable		 4exsB-3bb8A:
23.08
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.
3c0i PERIPHERAL PLASMA
MEMBRANE PROTEIN
CASK

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 267
HIS A 139
ASP A 201
HIS A 133
 None
 0.91A 4exsB-3c0iA:
undetectable		 4exsB-3c0iA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fai BETA-LACTAMASE

(Aeromonas
hydrophila) 		PF00753
(Lactamase_B) 		7 VAL A  67
TRP A  87
ASP A 120
HIS A 196
CYH A 221
ASN A 233
HIS A 263
 None
None
ZN  A   1 ( 2.5A)
ZN  A   2 ( 3.2A)
ZN  A   1 ( 2.2A)
None
ZN  A   1 ( 3.2A)
 0.70A 4exsB-3faiA:
27.8		 4exsB-3faiA:
26.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fai BETA-LACTAMASE

(Aeromonas
hydrophila) 		PF00753
(Lactamase_B) 		7 VAL A  67
TRP A  87
HIS A 118
ASP A 120
HIS A 196
CYH A 221
HIS A 263
 None
None
ZN  A   2 ( 3.1A)
ZN  A   1 ( 2.5A)
ZN  A   2 ( 3.2A)
ZN  A   1 ( 2.2A)
ZN  A   1 ( 3.2A)
 0.56A 4exsB-3faiA:
27.8		 4exsB-3faiA:
26.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		4 HIS A  78
ASP A  80
HIS A 143
HIS A 222
 MN  A 400 ( 3.3A)
MLT  A 500 ( 2.8A)
MN  A 400 ( 3.4A)
MN  A 401 (-3.7A)
 0.87A 4exsB-3g1pA:
10.0		 4exsB-3g1pA:
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 ASP A 150
HIS A 230
ASN A 276
HIS A  60
 ZN  A 500 ( 4.5A)
ZN  A 500 ( 4.8A)
None
ZN  A 500 (-3.7A)
 0.87A 4exsB-3griA:
undetectable		 4exsB-3griA:
20.85
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 HIS A  61
ASP A  63
HIS A 141
HIS A 400
 ZN  A 453 (-3.4A)
ZN  A 452 (-2.5A)
ZN  A 453 (-3.3A)
ZN  A 452 (-3.3A)
 0.64A 4exsB-3ie1A:
10.1		 4exsB-3ie1A:
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		4 HIS A  81
ASP A  83
HIS A 146
HIS A 215
 ZN  A 302 (-3.4A)
ZN  A 303 (-2.7A)
ZN  A 302 (-3.3A)
ZN  A 303 (-3.3A)
 0.87A 4exsB-3kl7A:
5.7		 4exsB-3kl7A:
22.73
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.
3l6n METALLO-BETA-LACTAMA
SE

(Chryseobacterium
indologenes) 		PF00753
(Lactamase_B) 		5 HIS A  98
ASP A 100
HIS A 159
CYH A 178
HIS A 220
 ZN  A 301 (-3.1A)
ZN  A 302 (-2.5A)
ZN  A 301 (-3.2A)
ZN  A 302 (-2.0A)
ZN  A 302 (-3.6A)
 0.46A 4exsB-3l6nA:
28.0		 4exsB-3l6nA:
24.63
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 HIS A 178
ASP A 151
CYH A 230
ASN A 277
HIS A  59
 ZN  A 430 (-3.3A)
ZN  A 429 ( 2.7A)
None
None
ZN  A 429 (-3.4A)
 1.30A 4exsB-3mpgA:
undetectable		 4exsB-3mpgA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 HIS A 178
ASP A 151
HIS A 231
ASN A 277
HIS A  61
 ZN  A 430 (-3.3A)
ZN  A 429 ( 2.7A)
ZN  A 430 (-3.6A)
None
ZN  A 429 (-3.6A)
 1.33A 4exsB-3mpgA:
undetectable		 4exsB-3mpgA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mw4 NEUREXIN-2-BETA

(Mus musculus) 		PF02210
(Laminin_G_2) 		4 VAL A 187
TRP A 190
ASN A 167
HIS A 172
 None
 0.84A 4exsB-3mw4A:
undetectable		 4exsB-3mw4A:
20.96
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		4 HIS A  88
ASP A  90
HIS A 170
HIS A 241
 MN  A 301 ( 3.3A)
MN  A 300 ( 2.6A)
MN  A 301 ( 3.4A)
MN  A 300 ( 3.4A)
 0.71A 4exsB-3py6A:
10.6		 4exsB-3py6A:
23.95
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		8 VAL A  67
TRP A  87
HIS A 118
ASP A 120
HIS A 196
CYH A 221
ASN A 233
HIS A 263
 None
None
GOL  A   1 (-3.4A)
ZN  A   2 ( 2.4A)
GOL  A   1 (-3.5A)
ZN  A   2 ( 2.2A)
GOL  A   1 (-3.4A)
ZN  A   2 ( 3.3A)
 0.54A 4exsB-3q6vA:
8.2		 4exsB-3q6vA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rpc POSSIBLE
METAL-DEPENDENT
HYDROLASE

(Veillonella
parvula) 		PF12706
(Lactamase_B_2) 		4 HIS A  71
ASP A  73
HIS A 129
HIS A 223
 ZN  A 301 (-3.4A)
ZN  A 302 (-2.8A)
ZN  A 301 (-3.3A)
ZN  A 302 (-3.5A)
 0.91A 4exsB-3rpcA:
7.3		 4exsB-3rpcA:
26.96
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.
3x2z UPF0173
METAL-DEPENDENT
HYDROLASE TM_1162

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		4 HIS A  50
ASP A  52
HIS A 108
HIS A 190
 NI  A 301 (-3.3A)
NI  A 302 (-2.7A)
NI  A 301 (-3.4A)
NI  A 302 (-3.6A)
 0.76A 4exsB-3x2zA:
9.2		 4exsB-3x2zA:
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 HIS A  76
ASP A  78
HIS A 142
HIS A 390
 ZN  A1557 (-3.2A)
ZN  A1556 (-2.5A)
ZN  A1557 (-3.3A)
ZN  A1556 (-3.4A)
 0.75A 4exsB-3zq4A:
10.0		 4exsB-3zq4A:
18.89
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		4 HIS A  64
ASP A  66
HIS A 182
HIS A 313
 ZN  A1364 ( 3.2A)
ZN  A1363 ( 2.6A)
ZN  A1364 ( 3.5A)
ZN  A1363 ( 3.4A)
 0.74A 4exsB-3zwfA:
9.5		 4exsB-3zwfA:
24.32
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		4 HIS A  79
ASP A  81
HIS A 145
HIS A 199
 ZN  A1001 (-3.3A)
ZN  A1000 (-2.8A)
ZN  A1001 (-3.3A)
ZN  A1000 (-3.3A)
 0.77A 4exsB-4ad9A:
6.6		 4exsB-4ad9A:
23.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		6 HIS A 118
ASP A 120
HIS A 196
CYH A 221
ASN A 233
HIS A 263
 ZN  A1292 (-3.1A)
ZN  A1293 (-2.7A)
ZN  A1292 (-3.2A)
ZN  A1293 (-2.3A)
None
ZN  A1293 (-3.3A)
 0.35A 4exsB-4d1tA:
17.0		 4exsB-4d1tA:
33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		6 TRP A  87
ASP A 120
HIS A 196
CYH A 221
ASN A 233
HIS A 263
 None
ZN  A1293 (-2.7A)
ZN  A1292 (-3.2A)
ZN  A1293 (-2.3A)
None
ZN  A1293 (-3.3A)
 1.04A 4exsB-4d1tA:
17.0		 4exsB-4d1tA:
33.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E

(Methylobacterium
extorquens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A 410
TRP A 386
HIS A  52
HIS A 393
 None
 0.93A 4exsB-4gi2A:
undetectable		 4exsB-4gi2A:
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		4 HIS A 154
ASP A 228
HIS A 109
HIS A  11
 ZN  A 301 ( 3.3A)
ZN  A 303 ( 2.6A)
ZN  A 301 ( 3.3A)
ZN  A 303 ( 3.3A)
 0.91A 4exsB-4gk8A:
undetectable		 4exsB-4gk8A:
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		4 HIS A  98
ASP A 100
HIS A 185
HIS A 252
 ZN  A 302 ( 3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 3.3A)
 0.82A 4exsB-4keqA:
14.1		 4exsB-4keqA:
24.77
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.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		5 VAL A  55
HIS A 141
ASP A 143
HIS A 226
HIS A 294
 EDO  A 407 ( 4.8A)
ZN  A 405 ( 3.1A)
ZN  A 406 (-2.6A)
ZN  A 405 (-3.1A)
ZN  A 406 (-3.2A)
 0.84A 4exsB-4le6A:
3.4		 4exsB-4le6A:
26.19
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		4 HIS A 130
ASP A 132
HIS A 213
HIS A 326
 ZN  A 403 ( 3.2A)
ZN  A 404 ( 2.6A)
ZN  A 403 ( 3.3A)
ZN  A 404 ( 3.3A)
 0.70A 4exsB-4ojxA:
7.3		 4exsB-4ojxA:
18.65
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.
4p62 METALLO-BETA-LACTAMA
SE AIM-1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 HIS A 106
ASP A 108
HIS A 182
HIS A 250
 ZN  A 301 (-3.1A)
ZN  A 302 (-2.4A)
ZN  A 301 (-3.3A)
ZN  A 302 (-3.1A)
 0.69A 4exsB-4p62A:
17.2		 4exsB-4p62A:
27.81
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		4 HIS A 187
ASP A 189
HIS A 253
HIS A 343
 ZN  A 501 ( 3.4A)
ZN  A 502 ( 2.5A)
ZN  A 501 ( 3.5A)
ZN  A 502 ( 3.6A)
 0.72A 4exsB-4qn9A:
7.3		 4exsB-4qn9A:
19.90
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.
4qny MITOGEN ACTIVATED
PROTEIN KINASE,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		4 VAL A 301
HIS A 147
ASP A 207
HIS A 141
 None
 0.87A 4exsB-4qnyA:
undetectable		 4exsB-4qnyA:
22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u4l BETA-LACTAMASE NDM-1

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		7 VAL A  73
TRP A  93
HIS A 122
ASP A 124
HIS A 189
CYH A 208
HIS A 250
 3C7  A 303 ( 4.8A)
None
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
3C7  A 303 ( 2.8A)
 0.22A 4exsB-4u4lA:
42.6		 4exsB-4u4lA:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 7 VAL A  32
HIS A  80
ASP A  82
HIS A 140
CYH A 159
ASN A 168
HIS A 198
 None
ZN  A 301 ( 3.2A)
ZN  A 302 (-3.0A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-1.8A)
ACT  A 303 (-4.4A)
ZN  A 302 ( 3.8A)
 0.48A 4exsB-4ubqA:
31.3		 4exsB-4ubqA:
31.78
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.
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo sapiens) 		PF00753
(Lactamase_B) 		4 HIS A 119
ASP A 121
HIS A 172
HIS A 234
 FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
FE  A1242 (-3.4A)
FE  A1243 (-3.2A)
 0.65A 4exsB-4v0hA:
14.6		 4exsB-4v0hA:
24.58
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.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		4 HIS A 157
ASP A 159
HIS A 244
HIS A 312
 ZN  A 402 (-3.4A)
ZN  A 401 (-2.7A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
 0.60A 4exsB-4xukA:
14.8		 4exsB-4xukA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 HIS A  86
ASP A  88
HIS A 153
HIS A 403
 ZN  A 601 (-3.1A)
ZN  A 602 (-2.7A)
ZN  A 601 (-3.4A)
ZN  A 602 (-3.2A)
 0.73A 4exsB-4xwtA:
9.5		 4exsB-4xwtA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 5 TRP A  51
ASP A  81
HIS A 139
CYH A 158
HIS A 200
 None
ZN  A 301 ( 2.5A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.1A)
ZN  A 301 ( 3.3A)
 0.94A 4exsB-4zejA:
32.1		 4exsB-4zejA:
28.52
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.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 6 VAL A  31
HIS A  79
ASP A  81
HIS A 139
CYH A 158
HIS A 200
 None
ZN  A 302 (-3.1A)
ZN  A 301 ( 2.5A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.1A)
ZN  A 301 ( 3.3A)
 0.40A 4exsB-4zejA:
32.1		 4exsB-4zejA:
28.52
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		4 HIS A 147
ASP A 149
HIS A 237
HIS A 305
 ZN  A 401 ( 3.2A)
ZN  A 402 ( 2.6A)
ZN  A 401 ( 3.2A)
ZN  A 402 ( 3.3A)
 0.68A 4exsB-4zo3A:
15.3		 4exsB-4zo3A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 HIS A  86
ASP A  88
HIS A 151
HIS A 399
 ZN  A1458 (-3.5A)
ZN  A1457 (-2.7A)
ZN  A1458 (-3.6A)
ZN  A1457 (-3.5A)
 0.83A 4exsB-5a0tA:
9.9		 4exsB-5a0tA:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		6 HIS A 116
ASP A 118
HIS A 179
CYH A 198
ASN A 210
HIS A 240
 ZN  A1263 (-3.0A)
ZN  A1265 (-2.8A)
ZN  A1263 (-3.2A)
ZN  A1265 (-2.2A)
GOL  A1262 (-4.1A)
ZN  A1265 ( 3.3A)
 0.48A 4exsB-5a87A:
33.2		 4exsB-5a87A:
36.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 TRP A  87
ASP A 118
HIS A 179
CYH A 198
HIS A 240
 GOL  A1262 ( 4.8A)
ZN  A1265 (-2.8A)
ZN  A1263 (-3.2A)
ZN  A1265 (-2.2A)
ZN  A1265 ( 3.3A)
 0.99A 4exsB-5a87A:
33.2		 4exsB-5a87A:
36.46
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.
5aeb LRA-12

(uncultured
bacterium BLR12) 		PF00753
(Lactamase_B) 		4 HIS A 118
ASP A 120
HIS A 196
HIS A 263
 ZN  A1308 (-3.0A)
ZN  A1307 (-2.5A)
ZN  A1308 (-3.0A)
ZN  A1307 (-3.2A)
 0.67A 4exsB-5aebA:
16.8		 4exsB-5aebA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5awm STRESS-ACTIVATED
PROTEIN KINASE JNK

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		4 VAL A 311
HIS A 147
ASP A 205
HIS A 141
 None
 0.89A 4exsB-5awmA:
undetectable		 4exsB-5awmA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		4 HIS A  74
ASP A  76
HIS A  72
HIS A 215
 ZN  A 301 (-3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 (-3.2A)
ZN  A 302 ( 3.3A)
 0.90A 4exsB-5b1uA:
17.5		 4exsB-5b1uA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		4 HIS A  74
ASP A  76
HIS A 150
HIS A 215
 ZN  A 301 (-3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 (-3.2A)
ZN  A 302 ( 3.3A)
 0.72A 4exsB-5b1uA:
17.5		 4exsB-5b1uA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		4 TRP A   5
HIS A  74
ASP A  76
HIS A 150
 None
ZN  A 301 (-3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 (-3.2A)
 0.90A 4exsB-5b1uA:
17.5		 4exsB-5b1uA:
24.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b3r IMP-18

(Pseudomonas
aeruginosa) 		no annotation 7 VAL A  49
HIS A  97
ASP A  99
HIS A 157
CYH A 176
ASN A 185
HIS A 215
 None
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
CIT  A2003 (-4.0A)
ZN  A2002 ( 3.0A)
 0.74A 4exsB-5b3rA:
31.2		 4exsB-5b3rA:
33.90
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.
5ci6 MITOGEN-ACTIVATED
PROTEIN KINASE 6

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		4 VAL A 339
HIS A 187
ASP A 246
HIS A 181
 None
 0.85A 4exsB-5ci6A:
undetectable		 4exsB-5ci6A:
18.80
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		5 VAL A  32
HIS A 116
ASP A 118
HIS A 200
HIS A 268
 None
ZN  A 402 (-3.2A)
ZN  A 401 ( 2.5A)
ZN  A 402 (-3.4A)
ZN  A 401 ( 3.2A)
 0.96A 4exsB-5hifA:
15.4		 4exsB-5hifA:
25.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		4 HIS A  96
ASP A  98
ASN A 233
HIS A 269
 ZN  A 400 (-3.1A)
ZN  A 401 (-3.0A)
None
ZN  A 401 (-3.5A)
 0.79A 4exsB-5i0pA:
18.1		 4exsB-5i0pA:
22.99
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		4 HIS A  96
ASP A  98
HIS A 205
HIS A 269
 ZN  A 400 (-3.1A)
ZN  A 401 (-3.0A)
ZN  A 400 (-3.4A)
ZN  A 401 (-3.5A)
 0.93A 4exsB-5i0pA:
18.1		 4exsB-5i0pA:
22.99
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.
5ig1 CAMK/CAMK2 PROTEIN
KINASE

(Salpingoeca
rosetta) 		PF00069
(Pkinase) 		4 VAL A 266
HIS A 138
ASP A 199
HIS A 132
 None
 0.94A 4exsB-5ig1A:
undetectable		 4exsB-5ig1A:
19.65
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.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		4 HIS A 110
ASP A 112
HIS A 186
HIS A 254
 ZN  A 401 (-3.1A)
ZN  A 402 (-2.4A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.2A)
 0.64A 4exsB-5iqkA:
17.6		 4exsB-5iqkA:
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.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		4 VAL A  37
HIS A 110
ASP A 112
HIS A 186
 None
ZN  A 401 (-3.1A)
ZN  A 402 (-2.4A)
ZN  A 401 (-3.2A)
 0.58A 4exsB-5iqkA:
17.6		 4exsB-5iqkA:
24.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		5 TRP E  87
ASP E 120
HIS E 196
CYH E 221
HIS E 263
 None
ZN  E 401 (-2.5A)
ZN  E 403 (-3.1A)
ZN  E 401 (-2.3A)
ZN  E 401 (-3.3A)
 0.95A 4exsB-5mmdE:
32.2		 4exsB-5mmdE:
32.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		6 VAL E  67
HIS E 118
ASP E 120
HIS E 196
CYH E 221
HIS E 263
 None
ZN  E 403 (-3.1A)
ZN  E 401 (-2.5A)
ZN  E 403 (-3.1A)
ZN  E 401 (-2.3A)
ZN  E 401 (-3.3A)
 0.32A 4exsB-5mmdE:
32.2		 4exsB-5mmdE:
32.00
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 HIS A 542
ASP A 544
HIS A 670
HIS A 759
 ZN  A 901 ( 3.1A)
ZN  A 902 ( 2.6A)
ZN  A 901 ( 3.5A)
ZN  A 902 ( 3.2A)
 0.78A 4exsB-5mtzA:
5.3		 4exsB-5mtzA:
15.14
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.
5yh1 -

(-) 		no annotation 4 VAL A 476
HIS A 463
ASN A 437
HIS A 483
 None
 0.91A 4exsB-5yh1A:
undetectable		 4exsB-5yh1A:
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.
6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 4 VAL A 437
HIS A 310
ASP A 372
HIS A 304
 None
 0.92A 4exsB-6bqlA:
undetectable		 4exsB-6bqlA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6brm PUTATIVE
METAL-DEPENDENT
ISOTHIOCYANATE
HYDROLASE SAXA

(Pectobacterium
carotovorum) 		no annotation 4 HIS A  69
ASP A  71
HIS A 128
HIS A 221
 ZN  A 301 (-3.3A)
ZN  A 302 (-2.7A)
ZN  A 301 (-3.3A)
ZN  A 302 (-3.4A)
 0.89A 4exsB-6brmA:
7.0		 4exsB-6brmA:
13.91
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.
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo sapiens) 		no annotation 4 VAL A 400
HIS A 273
ASP A 335
HIS A 267
 None
 0.88A 4exsB-6ccfA:
undetectable		 4exsB-6ccfA:
13.10
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.
6ch0 -

(-) 		no annotation 4 HIS C 120
ASP C 122
HIS C 198
HIS C 266
 CO  C 302 ( 3.1A)
CO  C 301 ( 2.6A)
CO  C 302 ( 3.4A)
CO  C 301 ( 3.3A)
 0.74A 4exsB-6ch0C:
14.1		 4exsB-6ch0C:
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.
6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 4 VAL A 437
HIS A 310
ASP A 372
HIS A 304
 None
 0.90A 4exsB-6cmjA:
undetectable		 4exsB-6cmjA:
15.56