SIMILAR PATTERNS OF AMINO ACIDS FOR 5A5Z_A_WJZA304

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 VAL A  31
HIS A  77
CYH A 158
HIS A 197
 None
ZN  A 500 (-3.4A)
ZN  A 501 ( 2.4A)
ZN  A 501 ( 3.4A)
 0.92A 5a5zA-1ddkA:
31.0		 5a5zA-1ddkA:
33.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.34A 5a5zA-1ddkA:
31.0		 5a5zA-1ddkA:
33.06
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.
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)
 0.40A 5a5zA-1hlkA:
32.5		 5a5zA-1hlkA:
29.76
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.
1kob TWITCHIN

(Aplysia
californica) 		PF00069
(Pkinase) 		4 VAL A 299
HIS A 172
ASP A 232
HIS A 166
 None
 0.87A 5a5zA-1kobA:
undetectable		 5a5zA-1kobA:
19.64
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.
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)
 0.76A 5a5zA-1l9yA:
17.7		 5a5zA-1l9yA:
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.
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)
 0.29A 5a5zA-1m2xA:
29.2		 5a5zA-1m2xA:
25.88
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.
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)
 0.84A 5a5zA-1m68A:
undetectable		 5a5zA-1m68A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.70A 5a5zA-1p9eA:
3.4		 5a5zA-1p9eA:
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.
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)
 0.70A 5a5zA-1qh5A:
4.7		 5a5zA-1qh5A:
22.36
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.
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)
 0.69A 5a5zA-1smlA:
18.6		 5a5zA-1smlA:
26.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5a5zA-1zkpA:
10.1		 5a5zA-1zkpA:
24.20
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.
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 5a5zA-1ztcA:
3.6		 5a5zA-1ztcA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.71A 5a5zA-2a7mA:
3.6		 5a5zA-2a7mA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.83A 5a5zA-2az4A:
11.5		 5a5zA-2az4A:
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.
2b1p MITOGEN-ACTIVATED
PROTEIN KINASE 10

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 350
HIS A 187
ASP A 245
HIS A 181
 None
 0.93A 5a5zA-2b1pA:
undetectable		 5a5zA-2b1pA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5a5zA-2cbnA:
8.9		 5a5zA-2cbnA:
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.
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)
 0.79A 5a5zA-2e7yA:
8.3		 5a5zA-2e7yA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.54A 5a5zA-2fhxB:
28.9		 5a5zA-2fhxB:
25.89
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.
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)
 0.91A 5a5zA-2gmnA:
17.5		 5a5zA-2gmnA:
26.71
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.
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)
 0.83A 5a5zA-2gmnA:
17.5		 5a5zA-2gmnA:
26.71
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.
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)
 0.75A 5a5zA-2i7tA:
10.2		 5a5zA-2i7tA:
18.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.71A 5a5zA-2nypA:
30.9		 5a5zA-2nypA:
32.14
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.
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)
 0.69A 5a5zA-2p18A:
16.2		 5a5zA-2p18A:
22.39
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.
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)
 0.93A 5a5zA-2p4zA:
8.9		 5a5zA-2p4zA:
21.32
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.
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)
 0.69A 5a5zA-2q42A:
16.6		 5a5zA-2q42A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.67A 5a5zA-2qedA:
15.6		 5a5zA-2qedA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.86A 5a5zA-2vw8A:
17.4		 5a5zA-2vw8A:
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.
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)
 0.91A 5a5zA-2w9mA:
undetectable		 5a5zA-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)
 0.77A 5a5zA-2xf4A:
5.0		 5a5zA-2xf4A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 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 VAL A 192
HIS A 244
ASP A 246
HIS A 329
HIS A 604
 None
ZN  A1638 (-3.0A)
ZN  A1639 (-2.7A)
ZN  A1638 (-3.5A)
ZN  A1639 (-3.3A)
 1.05A 5a5zA-2xr1A:
9.9		 5a5zA-2xr1A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 VAL A 191
HIS A 244
HIS A 329
HIS A 603
 None
ZN  A1638 ( 3.1A)
ZN  A1638 ( 3.3A)
ZN  A1637 ( 3.2A)
 0.83A 5a5zA-2ycbA:
8.4		 5a5zA-2ycbA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.09A 5a5zA-2yntB:
32.1		 5a5zA-2yntB:
29.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.59A 5a5zA-2yntB:
32.1		 5a5zA-2yntB:
29.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		4 HIS A 154
ASP A 224
HIS A 108
HIS A   7
 FE  A 502 (-3.4A)
FE  A 503 (-2.5A)
FE  A 502 (-3.5A)
FE  A 503 (-3.4A)
 0.89A 5a5zA-2z4gA:
undetectable		 5a5zA-2z4gA:
24.65
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.
2z87 CHONDROITIN SYNTHASE

(Escherichia
coli) 		PF00535
(Glycos_transf_2) 		4 VAL A 107
HIS A 620
HIS A 580
ASN A 564
 None
 0.86A 5a5zA-2z87A:
undetectable		 5a5zA-2z87A:
17.52
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		4 HIS A  72
ASP A  74
HIS A 171
ASN A 199
 ZN  A 318 (-3.3A)
ZN  A 319 (-2.8A)
ZN  A 318 (-3.3A)
None
 0.94A 5a5zA-2zo4A:
18.9		 5a5zA-2zo4A:
21.23
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.
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)
 0.69A 5a5zA-2zo4A:
18.9		 5a5zA-2zo4A:
21.23
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.
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)
 0.75A 5a5zA-2zwrA:
4.8		 5a5zA-2zwrA:
24.71
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.
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)
 0.78A 5a5zA-3adrA:
16.5		 5a5zA-3adrA:
20.14
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.
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)
 0.76A 5a5zA-3af5A:
8.5		 5a5zA-3af5A:
16.74
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 VAL A 200
HIS A 258
HIS A 344
HIS A 618
 None
ZN  A 662 ( 3.3A)
ZN  A 662 (-3.4A)
ZN  A 665 ( 3.3A)
 0.81A 5a5zA-3af5A:
8.5		 5a5zA-3af5A:
16.74
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.
3c0i PERIPHERAL PLASMA
MEMBRANE PROTEIN
CASK

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 267
HIS A 139
ASP A 201
HIS A 133
 None
 0.81A 5a5zA-3c0iA:
undetectable		 5a5zA-3c0iA:
20.44
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 VAL A  38
HIS A 181
ASP A 258
HIS A 123
HIS A   8
 None
FE  A 310 (-3.5A)
FE  A 311 (-2.6A)
FE  A 310 (-3.3A)
FE  A 311 (-3.4A)
 1.46A 5a5zA-3dcpA:
undetectable		 5a5zA-3dcpA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.58A 5a5zA-3faiA:
27.3		 5a5zA-3faiA:
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.
3fai BETA-LACTAMASE

(Aeromonas
hydrophila) 		PF00753
(Lactamase_B) 		5 VAL A  67
TRP A  87
HIS A 196
ASN A 233
HIS A 263
 None
None
ZN  A   2 ( 3.2A)
None
ZN  A   1 ( 3.2A)
 1.03A 5a5zA-3faiA:
27.3		 5a5zA-3faiA:
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.
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)
 0.84A 5a5zA-3g1pA:
9.7		 5a5zA-3g1pA:
21.18
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		5 HIS A 177
ASP A 150
HIS A 230
ASN A 276
HIS A  60
 None
ZN  A 500 ( 4.5A)
ZN  A 500 ( 4.8A)
None
ZN  A 500 (-3.7A)
 1.21A 5a5zA-3griA:
undetectable		 5a5zA-3griA:
19.62
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.
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)
 0.62A 5a5zA-3ie1A:
10.0		 5a5zA-3ie1A:
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.
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 5a5zA-3kl7A:
8.3		 5a5zA-3kl7A:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.40A 5a5zA-3l6nA:
28.1		 5a5zA-3l6nA:
26.29
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.
3mw4 NEUREXIN-2-BETA

(Mus musculus) 		PF02210
(Laminin_G_2) 		4 VAL A 187
TRP A 190
ASN A 167
HIS A 172
 None
 0.81A 5a5zA-3mw4A:
undetectable		 5a5zA-3mw4A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5a5zA-3py6A:
10.1		 5a5zA-3py6A:
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.
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)
 0.50A 5a5zA-3q6vA:
27.1		 5a5zA-3q6vA:
23.83
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.
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)
 0.89A 5a5zA-3rpcA:
7.1		 5a5zA-3rpcA:
25.42
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.
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 5a5zA-3x2zA:
9.1		 5a5zA-3x2zA:
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.
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 5a5zA-3zq4A:
9.1		 5a5zA-3zq4A:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.72A 5a5zA-3zwfA:
9.6		 5a5zA-3zwfA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.78A 5a5zA-4ad9A:
18.8		 5a5zA-4ad9A:
23.75
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)
 0.40A 5a5zA-4d1tA:
33.3		 5a5zA-4d1tA:
32.23
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)
 1.05A 5a5zA-4d1tA:
33.3		 5a5zA-4d1tA:
32.23
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.
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
 0.92A 5a5zA-4gi2A:
undetectable		 5a5zA-4gi2A:
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.
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)
 0.85A 5a5zA-4gk8A:
undetectable		 5a5zA-4gk8A:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j7b POLO-LIKE KINASE

(Danio rerio) 		PF00069
(Pkinase) 		4 VAL A 282
HIS A 160
ASP A 219
HIS A 154
 None
 0.93A 5a5zA-4j7bA:
undetectable		 5a5zA-4j7bA:
19.87
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.
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)
 0.87A 5a5zA-4keqA:
14.2		 5a5zA-4keqA:
27.91
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.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		4 HIS A 141
ASP A 143
HIS A 226
HIS A 294
 ZN  A 405 ( 3.1A)
ZN  A 406 (-2.6A)
ZN  A 405 (-3.1A)
ZN  A 406 (-3.2A)
 0.73A 5a5zA-4le6A:
12.9		 5a5zA-4le6A:
24.00
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.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		4 VAL A  55
HIS A 141
ASP A 143
HIS A 226
 EDO  A 407 ( 4.8A)
ZN  A 405 ( 3.1A)
ZN  A 406 (-2.6A)
ZN  A 405 (-3.1A)
 0.76A 5a5zA-4le6A:
12.9		 5a5zA-4le6A:
24.00
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.
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)
 0.69A 5a5zA-4ojxA:
7.5		 5a5zA-4ojxA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.70A 5a5zA-4p62A:
7.9		 5a5zA-4p62A:
26.71
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.
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)
 0.69A 5a5zA-4qn9A:
7.6		 5a5zA-4qn9A:
20.77
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.
4qny MITOGEN ACTIVATED
PROTEIN KINASE,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		4 VAL A 301
HIS A 147
ASP A 207
HIS A 141
 None
 0.83A 5a5zA-4qnyA:
undetectable		 5a5zA-4qnyA:
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.
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 321
HIS A 164
ASP A 227
HIS A 158
 None
 0.94A 5a5zA-4qtbA:
undetectable		 5a5zA-4qtbA:
21.41
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)
 0.39A 5a5zA-4u4lA:
42.6		 5a5zA-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)
 0.35A 5a5zA-4ubqA:
31.3		 5a5zA-4ubqA:
32.27
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.
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)
 0.68A 5a5zA-4v0hA:
15.2		 5a5zA-4v0hA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus) 		PF00069
(Pkinase) 		4 VAL A 302
HIS A 145
ASP A 208
HIS A 139
 None
 0.91A 5a5zA-4xrlA:
undetectable		 5a5zA-4xrlA:
19.36
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.
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)
 0.65A 5a5zA-4xukA:
3.0		 5a5zA-4xukA:
23.73
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.
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 5a5zA-4xwtA:
9.8		 5a5zA-4xwtA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.97A 5a5zA-4zejA:
32.4		 5a5zA-4zejA:
29.18
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.
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)
 0.33A 5a5zA-4zejA:
32.4		 5a5zA-4zejA:
29.18
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.
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)
 0.74A 5a5zA-4zo3A:
3.4		 5a5zA-4zo3A:
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.
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)
 0.78A 5a5zA-5a0tA:
10.1		 5a5zA-5a0tA:
17.92
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)
 0.33A 5a5zA-5a87A:
33.3		 5a5zA-5a87A:
35.91
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)
 1.03A 5a5zA-5a87A:
33.3		 5a5zA-5a87A:
35.91
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.
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)
 0.69A 5a5zA-5aebA:
17.0		 5a5zA-5aebA:
24.23
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.
5awm STRESS-ACTIVATED
PROTEIN KINASE JNK

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		4 VAL A 311
HIS A 147
ASP A 205
HIS A 141
 None
 0.86A 5a5zA-5awmA:
undetectable		 5a5zA-5awmA:
20.75
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.
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)
 0.73A 5a5zA-5b1uA:
17.5		 5a5zA-5b1uA:
25.26
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)
 0.59A 5a5zA-5b3rA:
12.3		 5a5zA-5b3rA:
33.47
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.
5ci6 MITOGEN-ACTIVATED
PROTEIN KINASE 6

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		4 VAL A 339
HIS A 187
ASP A 246
HIS A 181
 None
 0.83A 5a5zA-5ci6A:
undetectable		 5a5zA-5ci6A:
18.88
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASC

(Escherichia
coli) 		PF09344
(Cas_CT1975) 		4 VAL D 357
TRP D 356
HIS D   8
ASN D   6
 None
 0.93A 5a5zA-5h9fD:
undetectable		 5a5zA-5h9fD:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		4 HIS A 116
ASP A 118
HIS A 200
HIS A 268
 ZN  A 402 (-3.2A)
ZN  A 401 ( 2.5A)
ZN  A 402 (-3.4A)
ZN  A 401 ( 3.2A)
 0.73A 5a5zA-5hifA:
15.8		 5a5zA-5hifA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.86A 5a5zA-5ig1A:
undetectable		 5a5zA-5ig1A:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.66A 5a5zA-5iqkA:
17.6		 5a5zA-5iqkA:
25.43
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.
5k0w CLASS B
CARBAPENEMASE GOB-18

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		4 HIS A 100
ASP A 102
HIS A 175
HIS A 241
 ZN  A 302 (-3.2A)
ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 301 (-3.3A)
 0.71A 5a5zA-5k0wA:
16.5		 5a5zA-5k0wA:
22.26
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)
 0.98A 5a5zA-5mmdE:
32.6		 5a5zA-5mmdE:
34.25
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)
 0.31A 5a5zA-5mmdE:
32.6		 5a5zA-5mmdE:
34.25
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.
5uv4 PUTATIVE
LEUCINE-RICH REPEAT
PROTEIN KINASE
FAMILY PROTEIN

(Zea mays) 		PF07714
(Pkinase_Tyr) 		4 VAL A1033
HIS A 886
ASP A 949
HIS A 879
 None
 0.89A 5a5zA-5uv4A:
undetectable		 5a5zA-5uv4A:
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.
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)
 0.88A 5a5zA-6brmA:
7.1		 5a5zA-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.
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
 0.91A 5a5zA-6ccfA:
undetectable		 5a5zA-6ccfA:
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 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)
 0.79A 5a5zA-6ch0C:
14.3		 5a5zA-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
 0.92A 5a5zA-6cmjA:
undetectable		 5a5zA-6cmjA:
undetectable