SIMILAR PATTERNS OF AMINO ACIDS FOR 4C1H_A_X8ZA305

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) 		7 HIS A  77
HIS A  79
ASP A  81
HIS A 139
CYH A 158
GLY A 166
HIS A 197
 ZN  A 500 (-3.4A)
ZN  A 500 (-3.4A)
ZN  A 501 ( 2.7A)
ZN  A 500 (-3.3A)
ZN  A 501 ( 2.4A)
None
ZN  A 501 ( 3.4A)
 0.69A 4c1hA-1ddkA:
30.9		 4c1hA-1ddkA:
35.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hlk BETA-LACTAMASE, TYPE
II

(Bacteroides
fragilis) 		no annotation 7 HIS A  99
HIS A 101
ASP A 103
HIS A 162
CYH A 181
GLY A 192
HIS A 223
 ZN  A1001 (-3.4A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 ( 3.8A)
113  A2002 ( 3.6A)
 0.50A 4c1hA-1hlkA:
35.2		 4c1hA-1hlkA:
34.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		5 HIS A 116
HIS A 118
ASP A 120
HIS A 196
HIS A 263
 ZN  A   1 (-3.4A)
ZN  A   1 ( 3.2A)
ZN  A   2 ( 2.6A)
ZN  A   1 ( 3.3A)
ZN  A   2 ( 3.3A)
 0.91A 4c1hA-1l9yA:
19.4		 4c1hA-1l9yA:
21.03
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.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		5 HIS A 118
ASP A 120
HIS A 116
GLY A 223
HIS A 263
 ZN  A   1 ( 3.2A)
ZN  A   2 ( 2.6A)
ZN  A   1 (-3.4A)
None
ZN  A   2 ( 3.3A)
 0.86A 4c1hA-1l9yA:
19.4		 4c1hA-1l9yA:
21.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m2x CLASS B
CARBAPENEMASE BLAB-1

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		7 HIS A 116
HIS A 118
ASP A 120
HIS A 196
CYH A 221
GLY A 232
HIS A 263
 ZN  A 901 (-3.3A)
ZN  A 901 ( 3.1A)
ZN  A 902 ( 2.5A)
ZN  A 901 ( 3.2A)
ZN  A 902 (-2.3A)
None
ZN  A 902 (-3.2A)
 0.51A 4c1hA-1m2xA:
32.3		 4c1hA-1m2xA:
37.02
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.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		5 HIS A 131
ASP A 192
HIS A 101
GLY A  41
HIS A   9
 ZN  A 303 (-3.4A)
ZN  A 302 (-2.6A)
ZN  A 303 (-3.2A)
None
ZN  A 302 (-3.3A)
 1.24A 4c1hA-1m68A:
undetectable		 4c1hA-1m68A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		5 HIS A 147
HIS A 149
ASP A 151
HIS A 234
HIS A 302
 ZN  A 402 (-3.5A)
ZN  A 402 (-3.1A)
ZN  A 401 (-2.6A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
 0.70A 4c1hA-1p9eA:
16.5		 4c1hA-1p9eA:
21.83
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 HIS A  54
HIS A  56
ASP A  58
HIS A 110
HIS A 173
 ZN  A 261 ( 3.4A)
ZN  A 261 ( 3.3A)
ZN  A 262 (-2.7A)
ZN  A 261 (-3.3A)
ZN  A 262 (-3.3A)
 0.68A 4c1hA-1qh5A:
16.4		 4c1hA-1qh5A:
23.47
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 HIS A  56
ASP A  58
HIS A  54
GLY A 142
HIS A 173
 ZN  A 261 ( 3.3A)
ZN  A 262 (-2.7A)
ZN  A 261 ( 3.4A)
GSH  A 463 (-3.5A)
ZN  A 262 (-3.3A)
 1.01A 4c1hA-1qh5A:
16.4		 4c1hA-1qh5A:
23.47
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		5 HIS A  84
HIS A  86
ASP A  88
HIS A 160
HIS A 225
 ZN  A 271 (-3.2A)
ZN  A 271 (-3.2A)
ZN  A 270 (-2.4A)
ZN  A 271 (-3.2A)
ZN  A 270 (-3.2A)
 0.77A 4c1hA-1smlA:
20.1		 4c1hA-1smlA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkp HYPOTHETICAL PROTEIN
BA1088

(Bacillus
anthracis) 		PF12706
(Lactamase_B_2) 		5 HIS A  59
HIS A  61
ASP A  63
HIS A 134
HIS A 211
 ZN  A 245 (-3.3A)
ZN  A 245 (-3.1A)
ZN  A 246 (-2.7A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 0.72A 4c1hA-1zkpA:
10.6		 4c1hA-1zkpA:
24.19
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.
1ztc HYPOTHETICAL PROTEIN
TM0894

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 HIS A  69
HIS A  71
ASP A  73
HIS A 140
HIS A 199
 NI  A 302 (-3.3A)
NI  A 302 (-3.2A)
NI  A 301 (-3.2A)
NI  A 302 (-3.4A)
NI  A 301 (-3.4A)
 0.83A 4c1hA-1ztcA:
5.9		 4c1hA-1ztcA:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 HIS A 104
HIS A 106
ASP A 108
HIS A 169
HIS A 235
 ZN  A 252 (-3.3A)
ZN  A 252 ( 3.2A)
ZN  A 251 ( 2.7A)
ZN  A 252 (-3.3A)
ZN  A 251 (-3.3A)
 0.61A 4c1hA-2a7mA:
15.8		 4c1hA-2a7mA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2az4 HYPOTHETICAL PROTEIN
EF2904

(Enterococcus
faecalis) 		PF12706
(Lactamase_B_2) 		5 HIS A  92
HIS A  94
ASP A  96
HIS A 167
HIS A 404
 ZN  A 601 (-3.4A)
ZN  A 601 (-3.4A)
ZN  A 602 (-2.8A)
ZN  A 601 (-3.4A)
ZN  A 602 (-3.5A)
 0.89A 4c1hA-2az4A:
12.6		 4c1hA-2az4A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 HIS A  64
HIS A  66
ASP A  68
HIS A 141
HIS A 270
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.2A)
ZN  A 402 (-2.6A)
ZN  A 401 (-3.4A)
ZN  A 402 (-3.3A)
 0.78A 4c1hA-2cbnA:
9.9		 4c1hA-2cbnA:
25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 HIS A  66
ASP A  68
HIS A  64
GLY A 247
HIS A 270
 ZN  A 401 (-3.2A)
ZN  A 402 (-2.6A)
ZN  A 401 (-3.4A)
None
ZN  A 402 (-3.3A)
 1.27A 4c1hA-2cbnA:
9.9		 4c1hA-2cbnA:
25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7y TRNASE Z

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		5 HIS A  48
HIS A  50
ASP A  52
HIS A 134
HIS A 244
 ZN  A1302 (-3.5A)
ZN  A1302 (-3.4A)
ZN  A1301 (-3.2A)
ZN  A1302 (-3.7A)
ZN  A1301 (-3.1A)
 0.87A 4c1hA-2e7yA:
9.3		 4c1hA-2e7yA:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fhx SPM-1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		6 HIS B 116
HIS B 118
ASP B 120
HIS B 196
GLY B 232
HIS B 263
 ZN  B 317 (-3.4A)
ZN  B 317 (-3.2A)
ZN  B 317 ( 4.0A)
ZN  B 317 ( 3.2A)
AZI  B 402 ( 3.7A)
CSO  B 221 (-3.5A)
 0.70A 4c1hA-2fhxB:
29.0		 4c1hA-2fhxB:
32.68
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.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		5 HIS A 101
HIS A 103
ASP A 105
HIS A 177
HIS A 242
 ZN  A 801 (-3.2A)
ZN  A 801 (-3.1A)
ZN  A 802 (-2.5A)
ZN  A 801 (-3.2A)
ZN  A 802 (-3.2A)
 0.90A 4c1hA-2gmnA:
19.4		 4c1hA-2gmnA:
27.24
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.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		5 HIS A 103
ASP A 105
HIS A 101
GLY A 203
HIS A 242
 ZN  A 801 (-3.1A)
ZN  A 802 (-2.5A)
ZN  A 801 (-3.2A)
None
ZN  A 802 (-3.2A)
 0.93A 4c1hA-2gmnA:
19.4		 4c1hA-2gmnA:
27.24
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.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		5 TRP A  34
HIS A 103
ASP A 105
HIS A 101
GLY A 203
 None
ZN  A 801 (-3.1A)
ZN  A 802 (-2.5A)
ZN  A 801 (-3.2A)
None
 1.18A 4c1hA-2gmnA:
19.4		 4c1hA-2gmnA:
27.24
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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 HIS A  71
HIS A  73
ASP A  75
HIS A 158
HIS A 418
 ZN  A 482 (-3.5A)
ZN  A 482 ( 3.2A)
ZN  A 481 ( 2.6A)
ZN  A 482 ( 3.3A)
ZN  A 481 ( 3.4A)
 0.80A 4c1hA-2i7tA:
10.5		 4c1hA-2i7tA:
18.70
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 TRP A  59
HIS A  86
HIS A  88
ASP A  90
HIS A 149
GLY A 179
HIS A 210
 None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 (-3.2A)
None
ZN  A 302 (-4.1A)
 0.72A 4c1hA-2nypA:
40.9		 4c1hA-2nypA:
99.10
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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 HIS A  76
HIS A  78
ASP A  80
HIS A 139
HIS A 210
 ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
ZN  A 301 ( 2.7A)
ZN  A 302 ( 3.2A)
ZN  A 301 ( 3.3A)
 0.67A 4c1hA-2p18A:
16.4		 4c1hA-2p18A:
22.96
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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 HIS A  78
ASP A  80
HIS A  76
GLY A 172
HIS A 210
 ZN  A 302 ( 3.2A)
ZN  A 301 ( 2.7A)
ZN  A 302 (-3.4A)
SPD  A 304 ( 4.2A)
ZN  A 301 ( 3.3A)
 1.04A 4c1hA-2p18A:
16.4		 4c1hA-2p18A:
22.96
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 HIS A  76
HIS A  78
ASP A  80
HIS A 200
HIS A 255
 FE  A1001 (-3.5A)
FE  A1001 (-3.3A)
FE  A1002 (-2.5A)
FE  A1001 (-3.3A)
FE  A1002 (-3.5A)
 0.92A 4c1hA-2p4zA:
10.0		 4c1hA-2p4zA:
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.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 HIS A  54
HIS A  56
ASP A  58
HIS A 112
HIS A 169
 ZN  A 700 (-3.2A)
ZN  A 700 (-3.2A)
FE  A 701 (-2.6A)
ZN  A 700 (-3.3A)
FE  A 701 (-3.3A)
 0.69A 4c1hA-2q42A:
17.3		 4c1hA-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.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 HIS A  56
ASP A  58
HIS A  54
GLY A 139
HIS A 169
 ZN  A 700 (-3.2A)
FE  A 701 (-2.6A)
ZN  A 700 (-3.2A)
ACY  A 800 ( 4.6A)
FE  A 701 (-3.3A)
 0.99A 4c1hA-2q42A:
17.3		 4c1hA-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) 		5 HIS A  53
HIS A  55
ASP A  57
HIS A 110
HIS A 165
 FE  A 253 (-3.3A)
FE  A 253 (-3.2A)
FE  A 252 (-2.6A)
FE  A 253 (-3.2A)
FE  A 252 (-3.2A)
 0.62A 4c1hA-2qedA:
15.4		 4c1hA-2qedA:
22.45
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.
2qed HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 HIS A  55
ASP A  57
HIS A  53
GLY A 135
HIS A 165
 FE  A 253 (-3.2A)
FE  A 252 (-2.6A)
FE  A 253 (-3.3A)
None
FE  A 252 (-3.2A)
 1.01A 4c1hA-2qedA:
15.4		 4c1hA-2qedA:
22.45
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 HIS A  69
HIS A  71
ASP A  73
HIS A 159
HIS A 221
 FE2  A 402 (-3.4A)
FE2  A 402 ( 3.2A)
FE2  A 401 ( 2.8A)
FE2  A 402 ( 3.3A)
FE2  A 401 ( 3.4A)
 0.82A 4c1hA-2vw8A:
19.1		 4c1hA-2vw8A:
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.
2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B) 		5 HIS A  56
HIS A  58
ASP A  60
HIS A 132
HIS A 192
 None
PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.77A 4c1hA-2xf4A:
20.2		 4c1hA-2xf4A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B) 		5 HIS A  58
ASP A  60
HIS A  56
GLY A 159
HIS A 192
 PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
None
ZN  A1211 (-3.3A)
 1.06A 4c1hA-2xf4A:
20.2		 4c1hA-2xf4A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 HIS A 242
HIS A 244
ASP A 246
HIS A 329
HIS A 604
 ZN  A1638 (-3.2A)
ZN  A1638 (-3.0A)
ZN  A1639 (-2.7A)
ZN  A1638 (-3.5A)
ZN  A1639 (-3.3A)
 0.85A 4c1hA-2xr1A:
undetectable		 4c1hA-2xr1A:
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ynt GIM-1 PROTEIN

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		7 HIS B 116
HIS B 118
ASP B 120
HIS B 196
CYH B 221
GLY B 232
HIS B 263
 ZN  B1297 (-3.2A)
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
None
ZN  B1298 (-3.2A)
 0.50A 4c1hA-2yntB:
33.2		 4c1hA-2yntB:
40.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ynt GIM-1 PROTEIN

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		7 TRP B  87
HIS B 116
ASP B 120
HIS B 196
CYH B 221
GLY B 232
HIS B 263
 None
ZN  B1297 (-3.2A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
None
ZN  B1298 (-3.2A)
 0.90A 4c1hA-2yntB:
33.2		 4c1hA-2yntB:
40.08
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 HIS A  70
HIS A  72
ASP A  74
HIS A 171
HIS A 233
 ZN  A 318 (-3.4A)
ZN  A 318 (-3.3A)
ZN  A 319 (-2.8A)
ZN  A 318 (-3.3A)
ZN  A 319 (-3.3A)
 0.62A 4c1hA-2zo4A:
21.0		 4c1hA-2zo4A:
20.58
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.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 HIS A  54
HIS A  56
ASP A  58
HIS A 125
HIS A 184
 ZN  A 209 (-3.3A)
ZN  A 209 (-3.2A)
ZN  A 208 (-2.7A)
ZN  A 209 (-3.3A)
ZN  A 208 (-3.2A)
 0.73A 4c1hA-2zwrA:
5.5		 4c1hA-2zwrA:
26.00
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.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 HIS A  56
ASP A  58
HIS A  54
GLY A 152
HIS A 184
 ZN  A 209 (-3.2A)
ZN  A 208 (-2.7A)
ZN  A 209 (-3.3A)
None
ZN  A 208 (-3.2A)
 1.06A 4c1hA-2zwrA:
5.5		 4c1hA-2zwrA:
26.00
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.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		5 HIS A  58
HIS A  60
ASP A  62
HIS A 148
HIS A 207
 ZN  A 262 (-3.4A)
ZN  A 262 (-3.3A)
ZN  A 263 (-2.7A)
ZN  A 262 (-3.3A)
ZN  A 263 (-3.3A)
 0.77A 4c1hA-3adrA:
18.0		 4c1hA-3adrA:
23.97
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 HIS A 256
HIS A 258
ASP A 260
HIS A 344
HIS A 618
 ZN  A 662 (-3.4A)
ZN  A 662 ( 3.3A)
ZN  A 665 ( 2.9A)
ZN  A 662 (-3.4A)
ZN  A 665 ( 3.3A)
 0.90A 4c1hA-3af5A:
8.6		 4c1hA-3af5A:
17.15
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 HIS A 108
HIS A 110
ASP A 112
HIS A 185
HIS A 251
 None
 0.95A 4c1hA-3eshA:
2.7		 4c1hA-3eshA:
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.
3fai BETA-LACTAMASE

(Aeromonas
hydrophila) 		PF00753
(Lactamase_B) 		7 TRP A  87
ASP A 120
HIS A 196
CYH A 221
GLY A 232
ASN A 233
HIS A 263
 None
ZN  A   1 ( 2.5A)
ZN  A   2 ( 3.2A)
ZN  A   1 ( 2.2A)
GOL  A 320 (-3.5A)
None
ZN  A   1 ( 3.2A)
 0.75A 4c1hA-3faiA:
29.3		 4c1hA-3faiA:
29.25
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.
3fai BETA-LACTAMASE

(Aeromonas
hydrophila) 		PF00753
(Lactamase_B) 		7 TRP A  87
HIS A 118
ASP A 120
HIS A 196
CYH A 221
ASN A 233
HIS A 263
 None
ZN  A   2 ( 3.1A)
ZN  A   1 ( 2.5A)
ZN  A   2 ( 3.2A)
ZN  A   1 ( 2.2A)
None
ZN  A   1 ( 3.2A)
 0.93A 4c1hA-3faiA:
29.3		 4c1hA-3faiA:
29.25
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 HIS A  57
HIS A  59
ASP A  61
HIS A 170
HIS A 224
 ZN  A 256 (-3.5A)
ZN  A 256 (-3.2A)
ZN  A 256 ( 4.5A)
ZN  A 256 (-3.6A)
None
 0.94A 4c1hA-3h3eA:
9.8		 4c1hA-3h3eA:
24.83
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.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		5 HIS A 217
HIS A 216
ASP A 237
HIS A 192
HIS A 121
 FE  A 305 (-3.3A)
FE  A 305 (-3.4A)
FE  A 306 (-2.8A)
FE  A 305 (-3.5A)
FE  A 306 (-3.4A)
 1.13A 4c1hA-3hc1A:
undetectable		 4c1hA-3hc1A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 HIS A  59
HIS A  61
ASP A  63
HIS A 141
HIS A 400
 ZN  A 453 (-3.6A)
ZN  A 453 (-3.4A)
ZN  A 452 (-2.5A)
ZN  A 453 (-3.3A)
ZN  A 452 (-3.3A)
 0.70A 4c1hA-3ie1A:
undetectable		 4c1hA-3ie1A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 HIS A  79
HIS A  81
ASP A  83
HIS A 146
HIS A 215
 ZN  A 302 (-3.5A)
ZN  A 302 (-3.4A)
ZN  A 303 (-2.7A)
ZN  A 302 (-3.3A)
ZN  A 303 (-3.3A)
 0.92A 4c1hA-3kl7A:
3.2		 4c1hA-3kl7A:
23.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l6n METALLO-BETA-LACTAMA
SE

(Chryseobacterium
indologenes) 		PF00753
(Lactamase_B) 		6 HIS A  96
HIS A  98
ASP A 100
HIS A 159
CYH A 178
HIS A 220
 ZN  A 301 (-3.3A)
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)
 0.43A 4c1hA-3l6nA:
32.8		 4c1hA-3l6nA:
36.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l6n METALLO-BETA-LACTAMA
SE

(Chryseobacterium
indologenes) 		PF00753
(Lactamase_B) 		6 HIS A  96
HIS A  98
ASP A 100
HIS A 159
GLY A 189
HIS A 220
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.1A)
ZN  A 302 (-2.5A)
ZN  A 301 (-3.2A)
None
ZN  A 302 (-3.6A)
 0.55A 4c1hA-3l6nA:
32.8		 4c1hA-3l6nA:
36.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l6n METALLO-BETA-LACTAMA
SE

(Chryseobacterium
indologenes) 		PF00753
(Lactamase_B) 		5 TRP A  69
HIS A  96
ASP A 100
CYH A 178
HIS A 220
 None
ZN  A 301 (-3.3A)
ZN  A 302 (-2.5A)
ZN  A 302 (-2.0A)
ZN  A 302 (-3.6A)
 1.07A 4c1hA-3l6nA:
32.8		 4c1hA-3l6nA:
36.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		5 HIS A  86
HIS A  88
ASP A  90
HIS A 170
HIS A 241
 MN  A 301 (-3.4A)
MN  A 301 ( 3.3A)
MN  A 300 ( 2.6A)
MN  A 301 ( 3.4A)
MN  A 300 ( 3.4A)
 0.73A 4c1hA-3py6A:
11.4		 4c1hA-3py6A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		7 TRP A  87
HIS A 118
ASP A 120
HIS A 196
CYH A 221
GLY A 232
HIS A 263
 None
GOL  A   1 (-3.4A)
ZN  A   2 ( 2.4A)
GOL  A   1 (-3.5A)
ZN  A   2 ( 2.2A)
None
ZN  A   2 ( 3.3A)
 0.80A 4c1hA-3q6vA:
28.8		 4c1hA-3q6vA:
28.74
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.
3rpc POSSIBLE
METAL-DEPENDENT
HYDROLASE

(Veillonella
parvula) 		PF12706
(Lactamase_B_2) 		5 HIS A  69
HIS A  71
ASP A  73
HIS A 129
HIS A 223
 ZN  A 301 (-3.4A)
ZN  A 301 (-3.4A)
ZN  A 302 (-2.8A)
ZN  A 301 (-3.3A)
ZN  A 302 (-3.5A)
 0.88A 4c1hA-3rpcA:
8.1		 4c1hA-3rpcA:
27.14
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.
3x2z UPF0173
METAL-DEPENDENT
HYDROLASE TM_1162

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		5 HIS A  48
HIS A  50
ASP A  52
HIS A 108
HIS A 190
 NI  A 301 (-3.5A)
NI  A 301 (-3.3A)
NI  A 302 (-2.7A)
NI  A 301 (-3.4A)
NI  A 302 (-3.6A)
 0.80A 4c1hA-3x2zA:
9.7		 4c1hA-3x2zA:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A  74
HIS A  76
ASP A  78
HIS A 142
HIS A 390
 ZN  A1557 (-3.0A)
ZN  A1557 (-3.2A)
ZN  A1556 (-2.5A)
ZN  A1557 (-3.3A)
ZN  A1556 (-3.4A)
 0.84A 4c1hA-3zq4A:
10.7		 4c1hA-3zq4A:
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		5 HIS A  62
HIS A  64
ASP A  66
HIS A 182
HIS A 313
 ZN  A1364 (-3.5A)
ZN  A1364 ( 3.2A)
ZN  A1363 ( 2.6A)
ZN  A1364 ( 3.5A)
ZN  A1363 ( 3.4A)
 0.81A 4c1hA-3zwfA:
9.1		 4c1hA-3zwfA:
23.45
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 HIS A  77
HIS A  79
ASP A  81
HIS A 145
HIS A 199
 ZN  A1001 (-3.4A)
ZN  A1001 (-3.3A)
ZN  A1000 (-2.8A)
ZN  A1001 (-3.3A)
ZN  A1000 (-3.3A)
 0.76A 4c1hA-4ad9A:
21.5		 4c1hA-4ad9A:
26.25
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) 		7 HIS A 116
HIS A 118
ASP A 120
HIS A 196
CYH A 221
GLY A 232
HIS A 263
 ZN  A1292 (-3.2A)
ZN  A1292 (-3.1A)
ZN  A1293 (-2.7A)
ZN  A1292 (-3.2A)
ZN  A1293 (-2.3A)
None
ZN  A1293 (-3.3A)
 0.21A 4c1hA-4d1tA:
33.8		 4c1hA-4d1tA:
33.60
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
GLY A 232
HIS A 263
 None
ZN  A1293 (-2.7A)
ZN  A1292 (-3.2A)
ZN  A1293 (-2.3A)
None
ZN  A1293 (-3.3A)
 0.89A 4c1hA-4d1tA:
33.8		 4c1hA-4d1tA:
33.60
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		5 HIS A  96
HIS A  98
ASP A 100
HIS A 185
HIS A 252
 ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 3.3A)
 0.78A 4c1hA-4keqA:
5.5		 4c1hA-4keqA:
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.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		5 HIS A 139
HIS A 141
ASP A 143
HIS A 226
HIS A 294
 ZN  A 405 (-3.3A)
ZN  A 405 ( 3.1A)
ZN  A 406 (-2.6A)
ZN  A 405 (-3.1A)
ZN  A 406 (-3.2A)
 0.68A 4c1hA-4le6A:
3.8		 4c1hA-4le6A:
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		5 HIS A 128
HIS A 130
ASP A 132
HIS A 213
HIS A 326
 ZN  A 403 (-3.4A)
ZN  A 403 ( 3.2A)
ZN  A 404 ( 2.6A)
ZN  A 403 ( 3.3A)
ZN  A 404 ( 3.3A)
 0.76A 4c1hA-4ojxA:
2.4		 4c1hA-4ojxA:
24.40
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.
4p62 METALLO-BETA-LACTAMA
SE AIM-1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 HIS A 104
HIS A 106
ASP A 108
HIS A 182
HIS A 250
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 (-2.4A)
ZN  A 301 (-3.3A)
ZN  A 302 (-3.1A)
 0.78A 4c1hA-4p62A:
18.7		 4c1hA-4p62A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p62 METALLO-BETA-LACTAMA
SE AIM-1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 TRP A  37
HIS A 104
HIS A 106
ASP A 108
HIS A 182
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 (-2.4A)
ZN  A 301 (-3.3A)
 1.17A 4c1hA-4p62A:
18.7		 4c1hA-4p62A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 HIS A 172
HIS A 171
ASP A 237
HIS A 138
HIS A  52
 NI  A1002 ( 3.3A)
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
NI  A1002 (-3.3A)
NI  A1001 (-3.2A)
 1.14A 4c1hA-4q2cA:
undetectable		 4c1hA-4q2cA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		5 HIS A 185
HIS A 187
ASP A 189
HIS A 253
HIS A 343
 ZN  A 501 (-3.6A)
ZN  A 501 ( 3.4A)
ZN  A 502 ( 2.5A)
ZN  A 501 ( 3.5A)
ZN  A 502 ( 3.6A)
 0.79A 4c1hA-4qn9A:
8.0		 4c1hA-4qn9A:
22.28
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.
4s1b LMO1466 PROTEIN

(Listeria
monocytogenes) 		PF01966
(HD) 		5 HIS A 605
HIS A 604
ASP A 648
HIS A 580
HIS A 514
 FE  A 801 ( 3.5A)
FE  A 801 (-3.5A)
FE  A 802 ( 2.6A)
FE  A 801 ( 3.5A)
FE  A 802 ( 3.4A)
 1.12A 4c1hA-4s1bA:
undetectable		 4c1hA-4s1bA:
23.64
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) 		8 TRP A  93
HIS A 120
HIS A 122
ASP A 124
HIS A 189
CYH A 208
GLY A 219
HIS A 250
 None
ZN  A 301 (-3.3A)
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
None
3C7  A 303 ( 2.8A)
 0.45A 4c1hA-4u4lA:
32.1		 4c1hA-4u4lA:
32.55
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 6 HIS A  78
HIS A  80
ASP A  82
HIS A 140
CYH A 159
HIS A 198
 ZN  A 301 (-3.4A)
ZN  A 301 ( 3.2A)
ZN  A 302 (-3.0A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-1.8A)
ZN  A 302 ( 3.8A)
 0.42A 4c1hA-4ubqA:
31.5		 4c1hA-4ubqA:
34.30
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 6 HIS A  78
HIS A  80
ASP A  82
HIS A 140
GLY A 167
HIS A 198
 ZN  A 301 (-3.4A)
ZN  A 301 ( 3.2A)
ZN  A 302 (-3.0A)
ZN  A 301 ( 3.3A)
ACT  A 303 ( 3.7A)
ZN  A 302 ( 3.8A)
 0.70A 4c1hA-4ubqA:
31.5		 4c1hA-4ubqA:
34.30
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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		5 HIS A 274
HIS A 174
HIS A 297
GLY A 475
HIS A 299
 MN  A 581 (-3.5A)
MN  A 581 (-3.3A)
MN  A 581 (-3.3A)
None
MN  A 580 (-3.6A)
 0.96A 4c1hA-4uwqA:
undetectable		 4c1hA-4uwqA:
17.14
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.
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 HIS A 117
HIS A 119
ASP A 121
HIS A 172
HIS A 234
 FE  A1242 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
FE  A1242 (-3.4A)
FE  A1243 (-3.2A)
 0.64A 4c1hA-4v0hA:
5.8		 4c1hA-4v0hA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 HIS A 155
HIS A 157
ASP A 159
HIS A 244
HIS A 312
 ZN  A 402 (-3.5A)
ZN  A 402 (-3.4A)
ZN  A 401 (-2.7A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
 0.68A 4c1hA-4xukA:
5.2		 4c1hA-4xukA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A  84
HIS A  86
ASP A  88
HIS A 153
HIS A 403
 ZN  A 601 (-3.5A)
ZN  A 601 (-3.1A)
ZN  A 602 (-2.7A)
ZN  A 601 (-3.4A)
ZN  A 602 (-3.2A)
 0.80A 4c1hA-4xwtA:
10.9		 4c1hA-4xwtA:
19.24
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 HIS C 139
HIS C 141
GLY C 169
ASN C 171
HIS C 224
 NI  C 602 ( 3.0A)
NI  C 602 (-3.7A)
None
None
NI  C 601 (-4.7A)
 1.25A 4c1hA-4z42C:
undetectable		 4c1hA-4z42C:
15.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 7 HIS A  77
HIS A  79
ASP A  81
HIS A 139
CYH A 158
GLY A 169
HIS A 200
 ZN  A 302 ( 3.3A)
ZN  A 302 (-3.1A)
ZN  A 301 ( 2.5A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.1A)
CL  A 305 ( 4.5A)
ZN  A 301 ( 3.3A)
 0.58A 4c1hA-4zejA:
33.1		 4c1hA-4zejA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 7 TRP A  51
HIS A  77
ASP A  81
HIS A 139
CYH A 158
GLY A 169
HIS A 200
 None
ZN  A 302 ( 3.3A)
ZN  A 301 ( 2.5A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.1A)
CL  A 305 ( 4.5A)
ZN  A 301 ( 3.3A)
 0.88A 4c1hA-4zejA:
33.1		 4c1hA-4zejA:
36.32
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 HIS A 145
HIS A 147
ASP A 149
HIS A 237
HIS A 305
 ZN  A 401 (-3.3A)
ZN  A 401 ( 3.2A)
ZN  A 402 ( 2.6A)
ZN  A 401 ( 3.2A)
ZN  A 402 ( 3.3A)
 0.69A 4c1hA-4zo3A:
15.9		 4c1hA-4zo3A:
21.71
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A  84
HIS A  86
ASP A  88
HIS A 151
HIS A 399
 ZN  A1458 (-3.6A)
ZN  A1458 (-3.5A)
ZN  A1457 (-2.7A)
ZN  A1458 (-3.6A)
ZN  A1457 (-3.5A)
 0.94A 4c1hA-5a0tA:
11.0		 4c1hA-5a0tA:
18.09
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) 		7 HIS A 114
HIS A 116
ASP A 118
HIS A 179
CYH A 198
GLY A 209
HIS A 240
 ZN  A1263 (-3.2A)
ZN  A1263 (-3.0A)
ZN  A1265 (-2.8A)
ZN  A1263 (-3.2A)
ZN  A1265 (-2.2A)
None
ZN  A1265 ( 3.3A)
 0.36A 4c1hA-5a87A:
33.1		 4c1hA-5a87A:
37.19
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) 		7 TRP A  87
HIS A 114
ASP A 118
HIS A 179
CYH A 198
GLY A 209
HIS A 240
 GOL  A1262 ( 4.8A)
ZN  A1263 (-3.2A)
ZN  A1265 (-2.8A)
ZN  A1263 (-3.2A)
ZN  A1265 (-2.2A)
None
ZN  A1265 ( 3.3A)
 0.84A 4c1hA-5a87A:
33.1		 4c1hA-5a87A:
37.19
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.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		5 HIS A  72
HIS A  74
ASP A  76
HIS A 150
HIS A 215
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 (-3.2A)
ZN  A 302 ( 3.3A)
 0.80A 4c1hA-5b1uA:
19.0		 4c1hA-5b1uA:
25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		5 TRP A   5
HIS A  72
HIS A  74
ASP A  76
HIS A 150
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 (-3.2A)
 0.89A 4c1hA-5b1uA:
19.0		 4c1hA-5b1uA:
25.35
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 HIS A  95
HIS A  97
ASP A  99
HIS A 157
CYH A 176
GLY A 184
HIS A 215
 ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
CIT  A2003 (-3.6A)
ZN  A2002 ( 3.0A)
 0.68A 4c1hA-5b3rA:
31.3		 4c1hA-5b3rA:
35.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 HIS A 221
HIS A 220
ASP A 315
HIS A 149
HIS A 352
 CA  A1101 (-3.5A)
CA  A1101 (-3.7A)
CA  A1102 (-2.6A)
CA  A1101 (-3.8A)
CA  A1102 (-3.6A)
 1.15A 4c1hA-5b7iA:
undetectable		 4c1hA-5b7iA:
11.76
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		5 HIS A 114
HIS A 116
ASP A 118
HIS A 200
HIS A 268
 ZN  A 402 (-3.4A)
ZN  A 402 (-3.2A)
ZN  A 401 ( 2.5A)
ZN  A 402 (-3.4A)
ZN  A 401 ( 3.2A)
 0.68A 4c1hA-5hifA:
16.0		 4c1hA-5hifA:
24.10
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		5 HIS A  94
HIS A  96
ASP A  98
ASN A 233
HIS A 269
 ZN  A 400 (-3.6A)
ZN  A 400 (-3.1A)
ZN  A 401 (-3.0A)
None
ZN  A 401 (-3.5A)
 0.69A 4c1hA-5i0pA:
19.5		 4c1hA-5i0pA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		5 HIS A  94
HIS A  96
ASP A  98
HIS A 205
HIS A 269
 ZN  A 400 (-3.6A)
ZN  A 400 (-3.1A)
ZN  A 401 (-3.0A)
ZN  A 400 (-3.4A)
ZN  A 401 (-3.5A)
 0.87A 4c1hA-5i0pA:
19.5		 4c1hA-5i0pA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		5 HIS A 108
HIS A 110
ASP A 112
HIS A 186
HIS A 254
 ZN  A 401 (-3.2A)
ZN  A 401 (-3.1A)
ZN  A 402 (-2.4A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.2A)
 0.72A 4c1hA-5iqkA:
19.3		 4c1hA-5iqkA:
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 TRP A 160
HIS A 451
HIS A 453
GLY A 122
HIS A 152
 None
CU  A 603 (-2.8A)
CU  A 602 (-3.1A)
None
CU  A 601 ( 3.2A)
 1.23A 4c1hA-5lm8A:
undetectable		 4c1hA-5lm8A:
16.05
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 TRP A 160
HIS A 515
HIS A 453
GLY A 122
HIS A 152
 None
CU  A 602 ( 3.2A)
CU  A 602 (-3.1A)
None
CU  A 601 ( 3.2A)
 1.27A 4c1hA-5lm8A:
undetectable		 4c1hA-5lm8A:
16.05
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) 		7 HIS E 116
HIS E 118
ASP E 120
HIS E 196
CYH E 221
GLY E 232
HIS E 263
 ZN  E 403 (-3.3A)
ZN  E 403 (-3.1A)
ZN  E 401 (-2.5A)
ZN  E 403 (-3.1A)
ZN  E 401 (-2.3A)
CL  E 404 ( 4.8A)
ZN  E 401 (-3.3A)
 0.54A 4c1hA-5mmdE:
33.2		 4c1hA-5mmdE:
33.19
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) 		7 TRP E  87
HIS E 116
ASP E 120
HIS E 196
CYH E 221
GLY E 232
HIS E 263
 None
ZN  E 403 (-3.3A)
ZN  E 401 (-2.5A)
ZN  E 403 (-3.1A)
ZN  E 401 (-2.3A)
CL  E 404 ( 4.8A)
ZN  E 401 (-3.3A)
 0.87A 4c1hA-5mmdE:
33.2		 4c1hA-5mmdE:
33.19
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
HIS E 196
ASP E 120
CYH E 221
HIS E 263
 None
ZN  E 403 (-3.1A)
ZN  E 401 (-2.5A)
ZN  E 401 (-2.3A)
ZN  E 401 (-3.3A)
 1.27A 4c1hA-5mmdE:
33.2		 4c1hA-5mmdE:
33.19
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		5 HIS A 540
HIS A 542
ASP A 544
HIS A 670
HIS A 759
 ZN  A 901 (-3.4A)
ZN  A 901 ( 3.1A)
ZN  A 902 ( 2.6A)
ZN  A 901 ( 3.5A)
ZN  A 902 ( 3.2A)
 0.81A 4c1hA-5mtzA:
7.0		 4c1hA-5mtzA:
13.87
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.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		5 HIS A  94
HIS A  96
ASP A  98
ASN A 233
HIS A 269
 CA  A 404 (-3.4A)
CA  A 404 (-3.2A)
CA  A 403 (-3.0A)
None
CA  A 403 (-3.7A)
 0.72A 4c1hA-6ao1A:
19.1		 4c1hA-6ao1A:
19.42
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.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		5 HIS A  94
HIS A  96
ASP A  98
HIS A 205
HIS A 269
 CA  A 404 (-3.4A)
CA  A 404 (-3.2A)
CA  A 403 (-3.0A)
CA  A 404 (-3.3A)
CA  A 403 (-3.7A)
 0.91A 4c1hA-6ao1A:
19.1		 4c1hA-6ao1A:
19.42
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.
6brm PUTATIVE
METAL-DEPENDENT
ISOTHIOCYANATE
HYDROLASE SAXA

(Pectobacterium
carotovorum) 		no annotation 5 HIS A  67
HIS A  69
ASP A  71
HIS A 128
HIS A 221
 ZN  A 301 (-3.4A)
ZN  A 301 (-3.3A)
ZN  A 302 (-2.7A)
ZN  A 301 (-3.3A)
ZN  A 302 (-3.4A)
 0.86A 4c1hA-6brmA:
7.6		 4c1hA-6brmA:
15.42
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.
6ch0 -

(-) 		no annotation 5 HIS C 118
HIS C 120
ASP C 122
HIS C 198
HIS C 266
 CO  C 302 (-3.3A)
CO  C 302 ( 3.1A)
CO  C 301 ( 2.6A)
CO  C 302 ( 3.4A)
CO  C 301 ( 3.3A)
 0.70A 4c1hA-6ch0C:
3.6		 4c1hA-6ch0C:
undetectable