SIMILAR PATTERNS OF AMINO ACIDS FOR 4C1F_A_X8ZA300

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) 		8 VAL A  25
HIS A  77
HIS A  79
ASP A  81
HIS A 139
CYH A 158
LYS A 161
HIS A 197
 None
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)
ZN  A 501 ( 4.5A)
ZN  A 501 ( 3.4A)
 0.50A 4c1fA-1ddkA:
40.4
4c1fB-1ddkA:
39.3		 4c1fA-1ddkA:
100.00
4c1fB-1ddkA:
100.00
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) 		5 VAL A  25
HIS A  79
LYS A 161
ASN A 167
HIS A 197
 None
ZN  A 500 (-3.4A)
ZN  A 501 ( 4.5A)
ACY  A 510 (-4.4A)
ZN  A 501 ( 3.4A)
 0.86A 4c1fA-1ddkA:
40.4
4c1fB-1ddkA:
39.3		 4c1fA-1ddkA:
100.00
4c1fB-1ddkA:
100.00
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.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 VAL A 154
HIS A 239
HIS A 183
ASN A 333
HIS A  62
 None
ZN  A1452 ( 3.4A)
ZN  A1452 ( 3.1A)
None
ZN  A1453 ( 3.3A)
 1.22A 4c1fA-1gkrA:
undetectable
4c1fB-1gkrA:
undetectable		 4c1fA-1gkrA:
18.71
4c1fB-1gkrA:
18.71
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 TRP A  49
HIS A  99
HIS A 101
ASP A 103
HIS A 162
CYH A 181
HIS A 223
 113  A2002 (-3.9A)
ZN  A1001 (-3.4A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 ( 3.6A)
 0.56A 4c1fA-1hlkA:
15.2
4c1fB-1hlkA:
32.3		 4c1fA-1hlkA:
35.65
4c1fB-1hlkA:
35.65
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.
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)
 0.92A 4c1fA-1l9yA:
19.0
4c1fB-1l9yA:
18.7		 4c1fA-1l9yA:
24.19
4c1fB-1l9yA:
24.19
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) 		6 HIS A 116
HIS A 118
ASP A 120
HIS A 196
CYH A 221
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)
ZN  A 902 (-3.2A)
 0.30A 4c1fA-1m2xA:
30.3
4c1fB-1m2xA:
30.0		 4c1fA-1m2xA:
34.32
4c1fB-1m2xA:
34.32
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.
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)
 0.75A 4c1fA-1p9eA:
17.2
4c1fB-1p9eA:
17.1		 4c1fA-1p9eA:
23.10
4c1fB-1p9eA:
23.10
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.
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)
 0.74A 4c1fA-1qh5A:
16.3
4c1fB-1qh5A:
15.3		 4c1fA-1qh5A:
24.82
4c1fB-1qh5A:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.81A 4c1fA-1smlA:
18.2
4c1fB-1smlA:
18.3		 4c1fA-1smlA:
23.30
4c1fB-1smlA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.74A 4c1fA-1zkpA:
3.0
4c1fB-1zkpA:
4.7		 4c1fA-1zkpA:
20.36
4c1fB-1zkpA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.90A 4c1fA-1ztcA:
15.2
4c1fB-1ztcA:
15.1		 4c1fA-1ztcA:
23.58
4c1fB-1ztcA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.64A 4c1fA-2a7mA:
16.7
4c1fB-2a7mA:
16.7		 4c1fA-2a7mA:
24.64
4c1fB-2a7mA:
24.64
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.
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)
 0.94A 4c1fA-2az4A:
12.0
4c1fB-2az4A:
11.8		 4c1fA-2az4A:
20.57
4c1fB-2az4A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Homo sapiens) 		PF00149
(Metallophos) 		5 VAL X  10
TRP X  13
HIS X 184
ASN X  51
GLU X  26
 None
None
FE2  X1306 (-3.3A)
None
None
 1.46A 4c1fA-2bq8X:
undetectable
4c1fB-2bq8X:
undetectable		 4c1fA-2bq8X:
22.93
4c1fB-2bq8X:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.77A 4c1fA-2cbnA:
4.3
4c1fB-2cbnA:
9.3		 4c1fA-2cbnA:
22.40
4c1fB-2cbnA:
22.40
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.
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)
 0.85A 4c1fA-2e7yA:
2.8
4c1fB-2e7yA:
8.8		 4c1fA-2e7yA:
20.57
4c1fB-2e7yA:
20.57
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
LYS B 224
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 (-2.9A)
CSO  B 221 (-3.5A)
 0.67A 4c1fA-2fhxB:
30.0
4c1fB-2fhxB:
5.3		 4c1fA-2fhxB:
36.47
4c1fB-2fhxB:
36.47
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.
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)
 0.94A 4c1fA-2gmnA:
18.4
4c1fB-2gmnA:
17.9		 4c1fA-2gmnA:
24.82
4c1fB-2gmnA:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		6 VAL A 359
HIS A  71
HIS A  73
ASP A  75
HIS A 158
HIS A 418
 None
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)
 1.09A 4c1fA-2i7tA:
7.5
4c1fB-2i7tA:
9.7		 4c1fA-2i7tA:
19.83
4c1fB-2i7tA:
19.83
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) 		6 HIS A  86
HIS A  88
ASP A  90
HIS A 149
LYS A 171
HIS A 210
 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)
 0.65A 4c1fA-2nypA:
30.6
4c1fB-2nypA:
29.7		 4c1fA-2nypA:
35.37
4c1fB-2nypA:
35.37
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) 		6 HIS A  86
HIS A  88
HIS A 149
LYS A 171
ASN A 180
HIS A 210
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
None
None
ZN  A 302 (-4.1A)
 0.81A 4c1fA-2nypA:
30.6
4c1fB-2nypA:
29.7		 4c1fA-2nypA:
35.37
4c1fB-2nypA:
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.
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)
 0.72A 4c1fA-2p18A:
3.1
4c1fB-2p18A:
3.2		 4c1fA-2p18A:
23.99
4c1fB-2p18A:
23.99
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.
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)
 0.99A 4c1fA-2p4zA:
10.3
4c1fB-2p4zA:
10.3		 4c1fA-2p4zA:
23.55
4c1fB-2p4zA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.73A 4c1fA-2q42A:
16.9
4c1fB-2q42A:
16.6		 4c1fA-2q42A:
22.65
4c1fB-2q42A:
22.65
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.
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)
 0.69A 4c1fA-2qedA:
15.7
4c1fB-2qedA:
15.4		 4c1fA-2qedA:
23.92
4c1fB-2qedA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.88A 4c1fA-2vw8A:
17.9
4c1fB-2vw8A:
18.0		 4c1fA-2vw8A:
21.12
4c1fB-2vw8A:
21.12
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.
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)
 0.81A 4c1fA-2xf4A:
19.6
4c1fB-2xf4A:
6.3		 4c1fA-2xf4A:
23.36
4c1fB-2xf4A:
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.
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 4c1fA-2xr1A:
9.5
4c1fB-2xr1A:
2.7		 4c1fA-2xr1A:
17.17
4c1fB-2xr1A:
17.17
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.
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 214
HIS A 242
HIS A 244
HIS A 329
HIS A 604
 None
ZN  A1638 (-3.2A)
ZN  A1638 (-3.0A)
ZN  A1638 (-3.5A)
ZN  A1639 (-3.3A)
 0.87A 4c1fA-2xr1A:
9.5
4c1fB-2xr1A:
2.7		 4c1fA-2xr1A:
17.17
4c1fB-2xr1A:
17.17
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) 		6 HIS B 116
HIS B 118
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 ZN  B1297 (-3.2A)
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 0.39A 4c1fA-2yntB:
35.7
4c1fB-2yntB:
35.4		 4c1fA-2yntB:
44.40
4c1fB-2yntB:
44.40
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) 		5 VAL B  67
HIS B 116
ASP B 120
HIS B 196
CYH B 221
 None
ZN  B1297 (-3.2A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
 1.33A 4c1fA-2yntB:
35.7
4c1fB-2yntB:
35.4		 4c1fA-2yntB:
44.40
4c1fB-2yntB:
44.40
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 HIS A  70
HIS A  72
ASP A  74
ASN A 199
HIS A 233
 ZN  A 318 (-3.4A)
ZN  A 318 (-3.3A)
ZN  A 319 (-2.8A)
None
ZN  A 319 (-3.3A)
 0.62A 4c1fA-2zo4A:
20.2
4c1fB-2zo4A:
19.6		 4c1fA-2zo4A:
20.30
4c1fB-2zo4A:
20.30
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.
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)
 0.66A 4c1fA-2zo4A:
20.2
4c1fB-2zo4A:
19.6		 4c1fA-2zo4A:
20.30
4c1fB-2zo4A:
20.30
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.
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)
 0.78A 4c1fA-2zwrA:
5.6
4c1fB-2zwrA:
5.4		 4c1fA-2zwrA:
24.58
4c1fB-2zwrA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.80A 4c1fA-3adrA:
7.5
4c1fB-3adrA:
16.8		 4c1fA-3adrA:
25.42
4c1fB-3adrA:
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.
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 4c1fA-3af5A:
9.7
4c1fB-3af5A:
2.7		 4c1fA-3af5A:
16.46
4c1fB-3af5A:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 HIS A 180
ASP A 153
HIS A 232
ASN A 278
HIS A  63
 FLC  A 424 (-4.0A)
ZN  A 423 ( 2.4A)
FLC  A 424 (-4.8A)
FLC  A 424 (-4.8A)
ZN  A 423 ( 3.4A)
 1.27A 4c1fA-3d6nA:
undetectable
4c1fB-3d6nA:
undetectable		 4c1fA-3d6nA:
21.84
4c1fB-3d6nA:
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.
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
 0.99A 4c1fA-3eshA:
15.7
4c1fB-3eshA:
15.8		 4c1fA-3eshA:
21.84
4c1fB-3eshA:
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.
3evk SUPEROXIDE DISMUTASE
[FE]

(Pyrobaculum
aerophilum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 VAL A 136
HIS A  90
HIS A 161
ASP A 176
GLU A 179
 None
MN  A 301 (-3.5A)
None
MN  A 301 (-2.6A)
None
 1.34A 4c1fA-3evkA:
undetectable
4c1fB-3evkA:
undetectable		 4c1fA-3evkA:
22.18
4c1fB-3evkA:
22.18
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.
3fai BETA-LACTAMASE

(Aeromonas
hydrophila) 		PF00753
(Lactamase_B) 		6 ASP A 120
HIS A 196
CYH A 221
LYS A 224
ASN A 233
HIS A 263
 ZN  A   1 ( 2.5A)
ZN  A   2 ( 3.2A)
ZN  A   1 ( 2.2A)
SO4  A 311 ( 4.7A)
None
ZN  A   1 ( 3.2A)
 0.92A 4c1fA-3faiA:
29.6
4c1fB-3faiA:
28.8		 4c1fA-3faiA:
27.24
4c1fB-3faiA:
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.
3fai BETA-LACTAMASE

(Aeromonas
hydrophila) 		PF00753
(Lactamase_B) 		6 HIS A 118
ASP A 120
HIS A 196
CYH A 221
LYS A 224
HIS A 263
 ZN  A   2 ( 3.1A)
ZN  A   1 ( 2.5A)
ZN  A   2 ( 3.2A)
ZN  A   1 ( 2.2A)
SO4  A 311 ( 4.7A)
ZN  A   1 ( 3.2A)
 1.05A 4c1fA-3faiA:
29.6
4c1fB-3faiA:
28.8		 4c1fA-3faiA:
27.24
4c1fB-3faiA:
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.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 HIS A  76
HIS A  78
ASP A  80
ASN A 199
HIS A 222
 MN  A 400 ( 3.4A)
MN  A 400 ( 3.3A)
MLT  A 500 ( 2.8A)
None
MN  A 401 (-3.7A)
 1.13A 4c1fA-3g1pA:
2.9
4c1fB-3g1pA:
7.3		 4c1fA-3g1pA:
19.56
4c1fB-3g1pA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 HIS A  76
HIS A  78
ASP A  80
HIS A 143
HIS A 222
 MN  A 400 ( 3.4A)
MN  A 400 ( 3.3A)
MLT  A 500 ( 2.8A)
MN  A 400 ( 3.4A)
MN  A 401 (-3.7A)
 0.88A 4c1fA-3g1pA:
2.9
4c1fB-3g1pA:
7.3		 4c1fA-3g1pA:
19.56
4c1fB-3g1pA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.02A 4c1fA-3h3eA:
10.1
4c1fB-3h3eA:
9.6		 4c1fA-3h3eA:
25.78
4c1fB-3h3eA:
25.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.21A 4c1fA-3hc1A:
undetectable
4c1fB-3hc1A:
undetectable		 4c1fA-3hc1A:
22.40
4c1fB-3hc1A:
22.40
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.
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)
 0.71A 4c1fA-3ie1A:
10.2
4c1fB-3ie1A:
4.3		 4c1fA-3ie1A:
21.36
4c1fB-3ie1A:
21.36
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.
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)
 0.93A 4c1fA-3kl7A:
3.7
4c1fB-3kl7A:
2.5		 4c1fA-3kl7A:
24.22
4c1fB-3kl7A:
24.22
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)
 0.60A 4c1fA-3l6nA:
29.4
4c1fB-3l6nA:
29.1		 4c1fA-3l6nA:
35.83
4c1fB-3l6nA:
35.83
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.
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 4c1fA-3py6A:
9.9
4c1fB-3py6A:
10.5		 4c1fA-3py6A:
22.03
4c1fB-3py6A:
22.03
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		6 HIS A 118
ASP A 120
HIS A 196
CYH A 221
LYS A 224
HIS A 263
 GOL  A   1 (-3.4A)
ZN  A   2 ( 2.4A)
GOL  A   1 (-3.5A)
ZN  A   2 ( 2.2A)
GOL  A   1 ( 4.6A)
ZN  A   2 ( 3.3A)
 0.91A 4c1fA-3q6vA:
29.3
4c1fB-3q6vA:
28.7		 4c1fA-3q6vA:
25.21
4c1fB-3q6vA:
25.21
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		5 HIS A 118
HIS A 196
LYS A 224
ASN A 233
HIS A 263
 GOL  A   1 (-3.4A)
GOL  A   1 (-3.5A)
GOL  A   1 ( 4.6A)
GOL  A   1 (-3.4A)
ZN  A   2 ( 3.3A)
 1.07A 4c1fA-3q6vA:
29.3
4c1fB-3q6vA:
28.7		 4c1fA-3q6vA:
25.21
4c1fB-3q6vA:
25.21
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.
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)
 0.92A 4c1fA-3rpcA:
7.3
4c1fB-3rpcA:
7.8		 4c1fA-3rpcA:
21.24
4c1fB-3rpcA:
21.24
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.
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 4c1fA-3x2zA:
10.0
4c1fB-3x2zA:
9.8		 4c1fA-3x2zA:
23.90
4c1fB-3x2zA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.85A 4c1fA-3zq4A:
10.3
4c1fB-3zq4A:
3.5		 4c1fA-3zq4A:
16.34
4c1fB-3zq4A:
16.34
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.
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)
 0.80A 4c1fA-3zwfA:
9.4
4c1fB-3zwfA:
9.1		 4c1fA-3zwfA:
23.08
4c1fB-3zwfA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.81A 4c1fA-4ad9A:
19.9
4c1fB-4ad9A:
19.9		 4c1fA-4ad9A:
24.07
4c1fB-4ad9A:
24.07
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 116
HIS A 118
ASP A 120
HIS A 196
CYH A 221
HIS A 263
 ZN  A1292 (-3.2A)
ZN  A1292 (-3.1A)
ZN  A1293 (-2.7A)
ZN  A1292 (-3.2A)
ZN  A1293 (-2.3A)
ZN  A1293 (-3.3A)
 0.31A 4c1fA-4d1tA:
31.8
4c1fB-4d1tA:
31.1		 4c1fA-4d1tA:
33.98
4c1fB-4d1tA:
33.98
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)
 0.59A 4c1fA-4d1tA:
31.8
4c1fB-4d1tA:
31.1		 4c1fA-4d1tA:
33.98
4c1fB-4d1tA:
33.98
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.
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)
 0.81A 4c1fA-4keqA:
14.8
4c1fB-4keqA:
15.6		 4c1fA-4keqA:
23.88
4c1fB-4keqA:
23.88
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.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		6 VAL A  55
HIS A 139
HIS A 141
ASP A 143
HIS A 226
HIS A 294
 EDO  A 407 ( 4.8A)
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)
 1.34A 4c1fA-4le6A:
4.1
4c1fB-4le6A:
3.1		 4c1fA-4le6A:
21.74
4c1fB-4le6A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4c1fA-4ojxA:
8.8
4c1fB-4ojxA:
8.8		 4c1fA-4ojxA:
21.91
4c1fB-4ojxA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.81A 4c1fA-4p62A:
17.6
4c1fB-4p62A:
17.3		 4c1fA-4p62A:
21.48
4c1fB-4p62A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.25A 4c1fA-4q2cA:
undetectable
4c1fB-4q2cA:
undetectable		 4c1fA-4q2cA:
11.67
4c1fB-4q2cA:
11.67
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.
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)
 0.81A 4c1fA-4qn9A:
7.3
4c1fB-4qn9A:
7.6		 4c1fA-4qn9A:
22.94
4c1fB-4qn9A:
22.94
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 HIS A 120
HIS A 122
ASP A 124
HIS A 189
CYH A 208
LYS A 211
HIS A 250
 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)
3C7  A 303 ( 4.8A)
3C7  A 303 ( 2.8A)
 0.53A 4c1fA-4u4lA:
30.7
4c1fB-4u4lA:
30.3		 4c1fA-4u4lA:
32.79
4c1fB-4u4lA:
32.79
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) 		5 VAL A  73
HIS A 120
ASP A 124
HIS A 189
CYH A 208
 3C7  A 303 ( 4.8A)
ZN  A 301 (-3.3A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
 1.21A 4c1fA-4u4lA:
30.7
4c1fB-4u4lA:
30.3		 4c1fA-4u4lA:
32.79
4c1fB-4u4lA:
32.79
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 HIS A  78
HIS A  80
ASP A  82
HIS A 140
CYH A 159
LYS A 162
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)
ACT  A 303 (-2.8A)
ZN  A 302 ( 3.8A)
 0.42A 4c1fA-4ubqA:
40.1
4c1fB-4ubqA:
38.7		 4c1fA-4ubqA:
88.65
4c1fB-4ubqA:
88.65
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 HIS A  78
HIS A  80
ASP A  82
HIS A 140
LYS A 162
ASN A 168
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 (-2.8A)
ACT  A 303 (-4.4A)
ZN  A 302 ( 3.8A)
 0.63A 4c1fA-4ubqA:
40.1
4c1fB-4ubqA:
38.7		 4c1fA-4ubqA:
88.65
4c1fB-4ubqA:
88.65
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 TRP A  29
HIS A  78
ASP A  82
HIS A 140
CYH A 159
HIS A 198
 None
ZN  A 301 (-3.4A)
ZN  A 302 (-3.0A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-1.8A)
ZN  A 302 ( 3.8A)
 1.40A 4c1fA-4ubqA:
40.1
4c1fB-4ubqA:
38.7		 4c1fA-4ubqA:
88.65
4c1fB-4ubqA:
88.65
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.
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)
 0.72A 4c1fA-4v0hA:
14.3
4c1fB-4v0hA:
6.0		 4c1fA-4v0hA:
21.55
4c1fB-4v0hA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		5 VAL A  15
HIS A 117
HIS A  77
HIS A  81
HIS A  58
 None
FE2  A 201 (-3.4A)
FE2  A 201 (-3.4A)
FE2  A 201 (-3.4A)
FE2  A 202 (-3.4A)
 1.45A 4c1fA-4xpxA:
undetectable
4c1fB-4xpxA:
undetectable		 4c1fA-4xpxA:
17.60
4c1fB-4xpxA:
17.60
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.
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)
 0.71A 4c1fA-4xukA:
3.7
4c1fB-4xukA:
16.0		 4c1fA-4xukA:
21.89
4c1fB-4xukA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.81A 4c1fA-4xwtA:
3.7
4c1fB-4xwtA:
10.3		 4c1fA-4xwtA:
18.93
4c1fB-4xwtA:
18.93
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 VAL A  25
HIS A  77
HIS A  79
ASP A  81
HIS A 139
CYH A 158
HIS A 200
 None
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)
ZN  A 301 ( 3.3A)
 0.37A 4c1fA-4zejA:
37.0
4c1fB-4zejA:
36.3		 4c1fA-4zejA:
47.41
4c1fB-4zejA:
47.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.72A 4c1fA-4zo3A:
3.7
4c1fB-4zo3A:
15.8		 4c1fA-4zo3A:
24.92
4c1fB-4zo3A:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4c1fA-5a0tA:
10.4
4c1fB-5a0tA:
10.0		 4c1fA-5a0tA:
18.35
4c1fB-5a0tA:
18.35
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 114
HIS A 116
ASP A 118
HIS A 179
CYH A 198
HIS A 240
 ZN  A1263 (-3.2A)
ZN  A1263 (-3.0A)
ZN  A1265 (-2.8A)
ZN  A1263 (-3.2A)
ZN  A1265 (-2.2A)
ZN  A1265 ( 3.3A)
 0.33A 4c1fA-5a87A:
32.6
4c1fB-5a87A:
31.5		 4c1fA-5a87A:
30.12
4c1fB-5a87A:
30.12
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.
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)
 0.86A 4c1fA-5b1uA:
17.7
4c1fB-5b1uA:
17.0		 4c1fA-5b1uA:
22.03
4c1fB-5b1uA:
22.03
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
LYS A 179
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 (-2.6A)
ZN  A2002 ( 3.0A)
 0.28A 4c1fA-5b3rA:
39.6
4c1fB-5b3rA:
38.4		 4c1fA-5b3rA:
82.89
4c1fB-5b3rA:
82.89
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 6 HIS A  95
HIS A  97
HIS A 157
LYS A 179
ASN A 185
HIS A 215
 ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
ZN  A2001 ( 3.3A)
CIT  A2003 (-2.6A)
CIT  A2003 (-4.0A)
ZN  A2002 ( 3.0A)
 0.70A 4c1fA-5b3rA:
39.6
4c1fB-5b3rA:
38.4		 4c1fA-5b3rA:
82.89
4c1fB-5b3rA:
82.89
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 5 VAL A  49
HIS A  95
HIS A  97
ASP A  99
HIS A 157
 None
ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
 1.13A 4c1fA-5b3rA:
39.6
4c1fB-5b3rA:
38.4		 4c1fA-5b3rA:
82.89
4c1fB-5b3rA:
82.89
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 5 VAL A  49
HIS A  95
HIS A  97
HIS A 157
ASN A 185
 None
ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
ZN  A2001 ( 3.3A)
CIT  A2003 (-4.0A)
 1.08A 4c1fA-5b3rA:
39.6
4c1fB-5b3rA:
38.4		 4c1fA-5b3rA:
82.89
4c1fB-5b3rA:
82.89
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.
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)
 1.24A 4c1fA-5b7iA:
undetectable
4c1fB-5b7iA:
undetectable		 4c1fA-5b7iA:
11.94
4c1fB-5b7iA:
11.94
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.
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)
 0.71A 4c1fA-5hifA:
17.0
4c1fB-5hifA:
16.9		 4c1fA-5hifA:
25.27
4c1fB-5hifA:
25.27
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		6 HIS A  94
HIS A  96
ASP A  98
HIS A 205
ASN A 233
HIS A 269
 ZN  A 400 (-3.6A)
ZN  A 400 (-3.1A)
ZN  A 401 (-3.0A)
ZN  A 400 (-3.4A)
None
ZN  A 401 (-3.5A)
 0.96A 4c1fA-5i0pA:
19.2
4c1fB-5i0pA:
19.0		 4c1fA-5i0pA:
19.29
4c1fB-5i0pA:
19.29
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.
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)
 0.74A 4c1fA-5iqkA:
17.7
4c1fB-5iqkA:
17.3		 4c1fA-5iqkA:
22.70
4c1fB-5iqkA:
22.70
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) 		8 VAL E  61
TRP E  64
HIS E 116
HIS E 118
ASP E 120
HIS E 196
CYH E 221
HIS E 263
 None
None
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)
ZN  E 401 (-3.3A)
 0.45A 4c1fA-5mmdE:
38.1
4c1fB-5mmdE:
37.1		 4c1fA-5mmdE:
49.57
4c1fB-5mmdE:
49.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.83A 4c1fA-5mtzA:
4.9
4c1fB-5mtzA:
6.6		 4c1fA-5mtzA:
13.70
4c1fB-5mtzA:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		5 VAL A  12
TRP A  15
HIS A 186
ASN A  53
GLU A  28
 None
None
FE  A 403 ( 3.4A)
None
None
 1.44A 4c1fA-5uq6A:
undetectable
4c1fB-5uq6A:
2.1		 4c1fA-5uq6A:
22.05
4c1fB-5uq6A:
22.05
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.
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)
 0.76A 4c1fA-6ao1A:
18.6
4c1fB-6ao1A:
18.4		 4c1fA-6ao1A:
19.73
4c1fB-6ao1A:
19.73
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.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		5 HIS A  94
HIS A  96
ASP A  98
HIS A 205
ASN A 233
 CA  A 404 (-3.4A)
CA  A 404 (-3.2A)
CA  A 403 (-3.0A)
CA  A 404 (-3.3A)
None
 0.97A 4c1fA-6ao1A:
18.6
4c1fB-6ao1A:
18.4		 4c1fA-6ao1A:
19.73
4c1fB-6ao1A:
19.73
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.
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)
 0.92A 4c1fA-6brmA:
7.3
4c1fB-6brmA:
7.4		 4c1fA-6brmA:
15.49
4c1fB-6brmA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.76A 4c1fA-6ch0C:
15.7
4c1fB-6ch0C:
15.7		 4c1fA-6ch0C:
undetectable
4c1fB-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.
6ch0 -

(-) 		no annotation 5 TRP C  26
HIS C 118
HIS C 120
ASP C 122
HIS C 198
 None
CO  C 302 (-3.3A)
CO  C 302 ( 3.1A)
CO  C 301 ( 2.6A)
CO  C 302 ( 3.4A)
 1.38A 4c1fA-6ch0C:
15.7
4c1fB-6ch0C:
15.7		 4c1fA-6ch0C:
undetectable
4c1fB-6ch0C:
undetectable