SIMILAR PATTERNS OF AMINO ACIDS FOR 5AYA_A_X8ZA307_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 HIS A  77
HIS A  79
ASP A  81
HIS A 139
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 ( 3.4A)
 0.90A 5ayaA-1ddkA:
17.1		 5ayaA-1ddkA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hlk BETA-LACTAMASE, TYPE
II

(Bacteroides
fragilis) 		no annotation 5 HIS A  99
HIS A 101
ASP A 103
HIS A 162
HIS A 223
 ZN  A1001 (-3.4A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
113  A2002 ( 3.6A)
 0.80A 5ayaA-1hlkA:
18.7		 5ayaA-1hlkA:
21.33
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.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		6 HIS A 116
HIS A 118
ASP A 120
HIS A 121
HIS A 196
HIS A 263
 ZN  A   1 (-3.4A)
ZN  A   1 ( 3.2A)
ZN  A   2 ( 2.6A)
ZN  A   2 (-3.3A)
ZN  A   1 ( 3.3A)
ZN  A   2 ( 3.3A)
 0.26A 5ayaA-1l9yA:
34.7		 5ayaA-1l9yA:
29.70
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.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		6 HIS A 116
HIS A 118
ASP A 120
HIS A 196
SER A 221
HIS A 263
 ZN  A   1 (-3.4A)
ZN  A   1 ( 3.2A)
ZN  A   2 ( 2.6A)
ZN  A   1 ( 3.3A)
None
ZN  A   2 ( 3.3A)
 0.77A 5ayaA-1l9yA:
34.7		 5ayaA-1l9yA:
29.70
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.
1m2x CLASS B
CARBAPENEMASE BLAB-1

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		5 HIS A 116
HIS A 118
ASP A 120
HIS A 196
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 (-3.2A)
 0.88A 5ayaA-1m2xA:
18.4		 5ayaA-1m2xA:
23.64
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		6 HIS A 147
HIS A 149
ASP A 151
HIS A 152
HIS A 234
HIS A 302
 ZN  A 402 (-3.5A)
ZN  A 402 (-3.1A)
ZN  A 401 (-2.6A)
ZN  A 401 (-3.3A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
 0.45A 5ayaA-1p9eA:
15.5		 5ayaA-1p9eA:
26.93
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		6 HIS A  54
HIS A  56
ASP A  58
HIS A  59
HIS A 110
ARG A 249
 ZN  A 261 ( 3.4A)
ZN  A 261 ( 3.3A)
ZN  A 262 (-2.7A)
ZN  A 262 ( 3.3A)
ZN  A 261 (-3.3A)
GSH  A 463 (-2.8A)
 0.78A 5ayaA-1qh5A:
15.7		 5ayaA-1qh5A:
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		6 HIS A  54
HIS A  56
ASP A  58
HIS A  59
HIS A 110
HIS A 173
 ZN  A 261 ( 3.4A)
ZN  A 261 ( 3.3A)
ZN  A 262 (-2.7A)
ZN  A 262 ( 3.3A)
ZN  A 261 (-3.3A)
ZN  A 262 (-3.3A)
 0.29A 5ayaA-1qh5A:
15.7		 5ayaA-1qh5A:
25.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		7 HIS A  84
HIS A  86
ASP A  88
HIS A  89
HIS A 160
SER A 185
HIS A 225
 ZN  A 271 (-3.2A)
ZN  A 271 (-3.2A)
ZN  A 270 (-2.4A)
ZN  A 270 (-3.2A)
ZN  A 271 (-3.2A)
ZN  A 270 ( 4.5A)
ZN  A 270 (-3.2A)
 0.28A 5ayaA-1smlA:
32.9		 5ayaA-1smlA:
32.47
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		5 HIS A 110
HIS A 112
ASP A 114
HIS A 115
HIS A 254
 FE  A 401 (-3.5A)
FE  A 401 ( 3.3A)
FE  A 402 ( 2.6A)
FE  A 402 (-3.3A)
FE  A 402 ( 3.4A)
 0.48A 5ayaA-1wraA:
11.1		 5ayaA-1wraA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkp HYPOTHETICAL PROTEIN
BA1088

(Bacillus
anthracis) 		PF12706
(Lactamase_B_2) 		6 HIS A  59
HIS A  61
ASP A  63
HIS A  64
HIS A 134
HIS A 211
 ZN  A 245 (-3.3A)
ZN  A 245 (-3.1A)
ZN  A 246 (-2.7A)
ZN  A 246 (-3.2A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 0.44A 5ayaA-1zkpA:
10.6		 5ayaA-1zkpA:
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.
1ztc HYPOTHETICAL PROTEIN
TM0894

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		6 HIS A  69
HIS A  71
ASP A  73
HIS A  74
HIS A 140
HIS A 199
 NI  A 302 (-3.3A)
NI  A 302 (-3.2A)
NI  A 301 (-3.2A)
NI  A 301 (-3.4A)
NI  A 302 (-3.4A)
NI  A 301 (-3.4A)
 0.46A 5ayaA-1ztcA:
14.7		 5ayaA-1ztcA:
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		6 HIS A 104
HIS A 106
ASP A 108
HIS A 109
HIS A 169
HIS A 235
 ZN  A 252 (-3.3A)
ZN  A 252 ( 3.2A)
ZN  A 251 ( 2.7A)
ZN  A 251 (-3.2A)
ZN  A 252 (-3.3A)
ZN  A 251 (-3.3A)
 0.52A 5ayaA-2a7mA:
15.0		 5ayaA-2a7mA:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2az4 HYPOTHETICAL PROTEIN
EF2904

(Enterococcus
faecalis) 		PF12706
(Lactamase_B_2) 		6 HIS A  92
HIS A  94
ASP A  96
HIS A  97
HIS A 167
HIS A 404
 ZN  A 601 (-3.4A)
ZN  A 601 (-3.4A)
ZN  A 602 (-2.8A)
ZN  A 602 (-3.3A)
ZN  A 601 (-3.4A)
ZN  A 602 (-3.5A)
 0.37A 5ayaA-2az4A:
12.5		 5ayaA-2az4A:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		5 HIS A  85
HIS A  87
ASP A  89
HIS A  90
HIS A 229
 ZN  A1550 (-3.3A)
ZN  A1550 ( 3.1A)
ZN  A1549 ( 2.5A)
ZN  A1549 (-3.2A)
ZN  A1549 ( 3.2A)
 0.54A 5ayaA-2bibA:
11.0		 5ayaA-2bibA:
17.83
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		6 HIS A  64
HIS A  66
ASP A  68
HIS A  69
HIS A 141
HIS A 270
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.2A)
ZN  A 402 (-2.6A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
ZN  A 402 (-3.3A)
 0.40A 5ayaA-2cbnA:
10.7		 5ayaA-2cbnA:
25.31
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 HIS A 169
HIS A 171
ASP A 173
HIS A 174
HIS A 344
 ZN  A1002 (-3.2A)
ZN  A1002 ( 3.2A)
ZN  A1001 ( 2.5A)
ZN  A1001 (-3.2A)
ZN  A1001 (-3.3A)
 0.23A 5ayaA-2cfzA:
16.9		 5ayaA-2cfzA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7y TRNASE Z

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		6 HIS A  48
HIS A  50
ASP A  52
HIS A  53
HIS A 134
HIS A 244
 ZN  A1302 (-3.5A)
ZN  A1302 (-3.4A)
ZN  A1301 (-3.2A)
ZN  A1301 (-3.3A)
ZN  A1302 (-3.7A)
ZN  A1301 (-3.1A)
 0.43A 5ayaA-2e7yA:
10.0		 5ayaA-2e7yA:
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.
2fk6 RIBONUCLEASE Z

(Bacillus
subtilis) 		PF12706
(Lactamase_B_2) 		5 HIS A  63
ASP A  67
HIS A  68
HIS A 140
HIS A 269
 None
ZN  A 401 (-2.6A)
ZN  A 401 (-3.4A)
None
ZN  A 401 (-3.6A)
 0.48A 5ayaA-2fk6A:
11.6		 5ayaA-2fk6A:
24.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		8 HIS A 101
HIS A 103
ASP A 105
HIS A 106
HIS A 177
THR A 204
HIS A 242
GLU A 244
 ZN  A 801 (-3.2A)
ZN  A 801 (-3.1A)
ZN  A 802 (-2.5A)
ZN  A 802 (-3.2A)
ZN  A 801 (-3.2A)
None
ZN  A 802 (-3.2A)
None
 0.40A 5ayaA-2gmnA:
34.6		 5ayaA-2gmnA:
31.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		8 HIS A 101
HIS A 103
ASP A 105
HIS A 177
SER A 202
THR A 204
HIS A 242
GLU A 244
 ZN  A 801 (-3.2A)
ZN  A 801 (-3.1A)
ZN  A 802 (-2.5A)
ZN  A 801 (-3.2A)
None
None
ZN  A 802 (-3.2A)
None
 0.71A 5ayaA-2gmnA:
34.6		 5ayaA-2gmnA:
31.29
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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		6 HIS A  71
HIS A  73
ASP A  75
HIS A  76
HIS A 158
HIS A 418
 ZN  A 482 (-3.5A)
ZN  A 482 ( 3.2A)
ZN  A 481 ( 2.6A)
ZN  A 481 (-3.4A)
ZN  A 482 ( 3.3A)
ZN  A 481 ( 3.4A)
 0.34A 5ayaA-2i7tA:
10.8		 5ayaA-2i7tA:
19.58
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.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		5 HIS A  86
HIS A  88
ASP A  90
HIS A  91
HIS A 149
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 302 (-3.2A)
ZN  A 301 (-3.2A)
 0.54A 5ayaA-2nypA:
19.6		 5ayaA-2nypA:
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.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		5 HIS A  86
HIS A  88
ASP A  90
HIS A 149
HIS A 210
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 (-3.2A)
ZN  A 302 (-4.1A)
 0.67A 5ayaA-2nypA:
19.6		 5ayaA-2nypA:
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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		6 HIS A  76
HIS A  78
ASP A  80
HIS A  81
HIS A 139
HIS A 210
 ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
ZN  A 301 ( 2.7A)
ZN  A 301 (-3.3A)
ZN  A 302 ( 3.2A)
ZN  A 301 ( 3.3A)
 0.29A 5ayaA-2p18A:
16.1		 5ayaA-2p18A:
26.67
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		6 HIS A  76
HIS A  78
ASP A  80
HIS A  81
HIS A 200
HIS A 255
 FE  A1001 (-3.5A)
FE  A1001 (-3.3A)
FE  A1002 (-2.5A)
FE  A1002 (-3.4A)
FE  A1001 (-3.3A)
FE  A1002 (-3.5A)
 0.40A 5ayaA-2p4zA:
11.0		 5ayaA-2p4zA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		6 HIS A  54
HIS A  56
ASP A  58
HIS A  59
HIS A 112
ARG A 248
 ZN  A 700 (-3.2A)
ZN  A 700 (-3.2A)
FE  A 701 (-2.6A)
FE  A 701 (-3.1A)
ZN  A 700 (-3.3A)
ACY  A 800 (-3.2A)
 0.84A 5ayaA-2q42A:
16.0		 5ayaA-2q42A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		6 HIS A  54
HIS A  56
ASP A  58
HIS A  59
HIS A 112
HIS A 169
 ZN  A 700 (-3.2A)
ZN  A 700 (-3.2A)
FE  A 701 (-2.6A)
FE  A 701 (-3.1A)
ZN  A 700 (-3.3A)
FE  A 701 (-3.3A)
 0.31A 5ayaA-2q42A:
16.0		 5ayaA-2q42A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qed HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		6 HIS A  53
HIS A  55
ASP A  57
HIS A  58
HIS A 110
ARG A 245
 FE  A 253 (-3.3A)
FE  A 253 (-3.2A)
FE  A 252 (-2.6A)
FE  A 252 (-3.2A)
FE  A 253 (-3.2A)
None
 0.88A 5ayaA-2qedA:
15.7		 5ayaA-2qedA:
24.08
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.
2qed HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		6 HIS A  53
HIS A  55
ASP A  57
HIS A  58
HIS A 110
HIS A 165
 FE  A 253 (-3.3A)
FE  A 253 (-3.2A)
FE  A 252 (-2.6A)
FE  A 252 (-3.2A)
FE  A 253 (-3.2A)
FE  A 252 (-3.2A)
 0.36A 5ayaA-2qedA:
15.7		 5ayaA-2qedA:
24.08
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.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		6 HIS A 111
HIS A 113
ASP A 115
HIS A 116
HIS A 191
HIS A 259
 ZN  A 278 ( 3.2A)
ZN  A 278 ( 3.2A)
PO4  A 279 (-2.9A)
ZN  A 277 ( 3.2A)
ZN  A 278 ( 3.2A)
ZN  A 277 (-3.2A)
 0.68A 5ayaA-2r2dA:
14.4		 5ayaA-2r2dA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		6 HIS A 111
HIS A 113
ASP A 115
HIS A 116
SER A 212
HIS A 259
 ZN  A 278 ( 3.2A)
ZN  A 278 ( 3.2A)
PO4  A 279 (-2.9A)
ZN  A 277 ( 3.2A)
None
ZN  A 277 (-3.2A)
 1.31A 5ayaA-2r2dA:
14.4		 5ayaA-2r2dA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		6 HIS A  69
HIS A  71
ASP A  73
HIS A  74
HIS A 159
HIS A 221
 FE2  A 402 (-3.4A)
FE2  A 402 ( 3.2A)
FE2  A 401 ( 2.8A)
FE2  A 401 (-3.3A)
FE2  A 402 ( 3.3A)
FE2  A 401 ( 3.4A)
 0.41A 5ayaA-2vw8A:
19.0		 5ayaA-2vw8A:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B) 		6 HIS A  56
HIS A  58
ASP A  60
HIS A  61
HIS A 132
HIS A 192
 None
PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
ZN  A1211 (-3.3A)
None
ZN  A1211 (-3.3A)
 0.48A 5ayaA-2xf4A:
17.5		 5ayaA-2xf4A:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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) 		6 HIS A 242
HIS A 244
ASP A 246
HIS A 247
HIS A 329
HIS A 604
 ZN  A1638 (-3.2A)
ZN  A1638 (-3.0A)
ZN  A1639 (-2.7A)
ZN  A1639 (-3.3A)
ZN  A1638 (-3.5A)
ZN  A1639 (-3.3A)
 0.44A 5ayaA-2xr1A:
11.8		 5ayaA-2xr1A:
17.84
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
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 603
 ZN  A1638 ( 3.2A)
ZN  A1638 ( 3.1A)
PO4  A1639 ( 3.8A)
ZN  A1638 ( 3.3A)
ZN  A1637 ( 3.2A)
 0.81A 5ayaA-2ycbA:
11.5		 5ayaA-2ycbA:
17.58
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 HIS A 242
HIS A 244
HIS A 247
HIS A 329
HIS A 603
 ZN  A1638 ( 3.2A)
ZN  A1638 ( 3.1A)
ZN  A1637 ( 3.2A)
ZN  A1638 ( 3.3A)
ZN  A1637 ( 3.2A)
 0.46A 5ayaA-2ycbA:
11.5		 5ayaA-2ycbA:
17.58
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 HIS A 179
HIS A 181
ASP A 183
HIS A 184
HIS A 355
 ZN  A 701 (-3.3A)
ZN  A 701 ( 3.3A)
ZN  A 700 (-2.4A)
ZN  A 700 (-3.2A)
ZN  A 700 (-3.2A)
 0.41A 5ayaA-2yheA:
15.3		 5ayaA-2yheA:
18.60
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.
2ynt GIM-1 PROTEIN

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 HIS B 116
HIS B 118
ASP B 120
HIS B 196
HIS B 263
 ZN  B1297 (-3.2A)
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-3.2A)
 0.75A 5ayaA-2yntB:
17.4		 5ayaA-2yntB:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		6 HIS A  70
HIS A  72
ASP A  74
HIS A  75
HIS A 171
HIS A 233
 ZN  A 318 (-3.4A)
ZN  A 318 (-3.3A)
ZN  A 319 (-2.8A)
ZN  A 319 (-3.2A)
ZN  A 318 (-3.3A)
ZN  A 319 (-3.3A)
 0.38A 5ayaA-2zo4A:
20.0		 5ayaA-2zo4A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		6 HIS A  54
HIS A  56
ASP A  58
HIS A  59
HIS A 125
HIS A 184
 ZN  A 209 (-3.3A)
ZN  A 209 (-3.2A)
ZN  A 208 (-2.7A)
ZN  A 208 (-3.2A)
ZN  A 209 (-3.3A)
ZN  A 208 (-3.2A)
 0.36A 5ayaA-2zwrA:
17.3		 5ayaA-2zwrA:
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.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		6 HIS A  58
HIS A  60
ASP A  62
HIS A  63
HIS A 148
HIS A 207
 ZN  A 262 (-3.4A)
ZN  A 262 (-3.3A)
ZN  A 263 (-2.7A)
ZN  A 263 (-3.4A)
ZN  A 262 (-3.3A)
ZN  A 263 (-3.3A)
 0.31A 5ayaA-3adrA:
16.8		 5ayaA-3adrA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3adr PUTATIVE
UNCHARACTERIZED
PROTEIN ST1585

(Sulfurisphaera
tokodaii) 		PF00753
(Lactamase_B) 		6 HIS A  58
HIS A  60
ASP A  62
HIS A  63
HIS A 148
THR A 178
 ZN  A 262 (-3.4A)
ZN  A 262 (-3.3A)
ZN  A 263 (-2.7A)
ZN  A 263 (-3.4A)
ZN  A 262 (-3.3A)
None
 0.81A 5ayaA-3adrA:
16.8		 5ayaA-3adrA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		6 HIS A 256
HIS A 258
ASP A 260
HIS A 261
HIS A 344
HIS A 618
 ZN  A 662 (-3.4A)
ZN  A 662 ( 3.3A)
ZN  A 665 ( 2.9A)
ZN  A 665 (-3.3A)
ZN  A 662 (-3.4A)
ZN  A 665 ( 3.3A)
 0.40A 5ayaA-3af5A:
11.4		 5ayaA-3af5A:
17.34
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.
3bv6 METAL-DEPENDENT
HYDROLASE

(Vibrio cholerae) 		PF13483
(Lactamase_B_3) 		5 HIS A 117
HIS A 119
ASP A 121
HIS A 122
HIS A 282
 FE  A 401 (-3.1A)
FE  A 401 (-3.3A)
FE  A 402 (-2.6A)
FE  A 402 (-3.3A)
FE  A 402 (-3.4A)
 0.40A 5ayaA-3bv6A:
9.5		 5ayaA-3bv6A:
21.99
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		6 HIS A 108
HIS A 110
ASP A 112
HIS A 113
HIS A 185
HIS A 251
 None
 0.53A 5ayaA-3eshA:
14.6		 5ayaA-3eshA:
23.60
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 HIS A 110
ASP A 112
HIS A 113
THR A 220
HIS A 251
 None
 1.08A 5ayaA-3eshA:
14.6		 5ayaA-3eshA:
23.60
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.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		6 HIS A  76
HIS A  78
ASP A  80
HIS A  81
HIS A 143
HIS A 222
 MN  A 400 ( 3.4A)
MN  A 400 ( 3.3A)
MLT  A 500 ( 2.8A)
MN  A 401 (-3.5A)
MN  A 400 ( 3.4A)
MN  A 401 (-3.7A)
 0.60A 5ayaA-3g1pA:
10.3		 5ayaA-3g1pA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		6 HIS A  57
HIS A  59
ASP A  61
HIS A  62
HIS A 170
HIS A 224
 ZN  A 256 (-3.5A)
ZN  A 256 (-3.2A)
ZN  A 256 ( 4.5A)
ZN  A 256 ( 4.8A)
ZN  A 256 (-3.6A)
None
 0.52A 5ayaA-3h3eA:
10.9		 5ayaA-3h3eA:
23.71
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		6 HIS A  59
HIS A  61
ASP A  63
HIS A  64
HIS A 141
HIS A 400
 ZN  A 453 (-3.6A)
ZN  A 453 (-3.4A)
ZN  A 452 (-2.5A)
ZN  A 452 (-3.5A)
ZN  A 453 (-3.3A)
ZN  A 452 (-3.3A)
 0.43A 5ayaA-3ie1A:
11.8		 5ayaA-3ie1A:
25.00
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		6 HIS A  79
HIS A  81
ASP A  83
HIS A  84
HIS A 146
HIS A 215
 ZN  A 302 (-3.5A)
ZN  A 302 (-3.4A)
ZN  A 303 (-2.7A)
ZN  A 303 (-3.4A)
ZN  A 302 (-3.3A)
ZN  A 303 (-3.3A)
 0.34A 5ayaA-3kl7A:
9.9		 5ayaA-3kl7A:
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		6 HIS A  79
HIS A  81
ASP A  83
HIS A  84
HIS A 146
THR A 193
 ZN  A 302 (-3.5A)
ZN  A 302 (-3.4A)
ZN  A 303 (-2.7A)
ZN  A 303 (-3.4A)
ZN  A 302 (-3.3A)
None
 0.94A 5ayaA-3kl7A:
9.9		 5ayaA-3kl7A:
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 HIS A  79
HIS A  81
HIS A  84
THR A 193
HIS A  43
 ZN  A 302 (-3.5A)
ZN  A 302 (-3.4A)
ZN  A 303 (-3.4A)
None
UNL  A 301 ( 4.0A)
 1.07A 5ayaA-3kl7A:
9.9		 5ayaA-3kl7A:
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.
3l6n METALLO-BETA-LACTAMA
SE

(Chryseobacterium
indologenes) 		PF00753
(Lactamase_B) 		5 HIS A  96
HIS A  98
ASP A 100
HIS A 159
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 (-3.6A)
 0.87A 5ayaA-3l6nA:
16.7		 5ayaA-3l6nA:
25.45
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		6 HIS A  86
HIS A  88
ASP A  90
HIS A  91
HIS A 170
HIS A 241
 MN  A 301 (-3.4A)
MN  A 301 ( 3.3A)
MN  A 300 ( 2.6A)
MN  A 300 (-3.4A)
MN  A 301 ( 3.4A)
MN  A 300 ( 3.4A)
 0.40A 5ayaA-3py6A:
10.9		 5ayaA-3py6A:
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.
3rpc POSSIBLE
METAL-DEPENDENT
HYDROLASE

(Veillonella
parvula) 		PF12706
(Lactamase_B_2) 		6 HIS A  69
HIS A  71
ASP A  73
HIS A  74
HIS A 129
HIS A 223
 ZN  A 301 (-3.4A)
ZN  A 301 (-3.4A)
ZN  A 302 (-2.8A)
ZN  A 302 (-3.4A)
ZN  A 301 (-3.3A)
ZN  A 302 (-3.5A)
 0.45A 5ayaA-3rpcA:
8.7		 5ayaA-3rpcA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 HIS A  75
ASP A  79
HIS A  80
HIS A 150
HIS A 398
 ZN  A 600 (-4.8A)
ZN  A 600 (-2.5A)
ZN  A 600 (-3.6A)
None
ZN  A 600 (-3.6A)
 0.55A 5ayaA-3t3oA:
11.0		 5ayaA-3t3oA:
19.15
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.
3x2z UPF0173
METAL-DEPENDENT
HYDROLASE TM_1162

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		6 HIS A  48
HIS A  50
ASP A  52
HIS A  53
HIS A 108
HIS A 190
 NI  A 301 (-3.5A)
NI  A 301 (-3.3A)
NI  A 302 (-2.7A)
NI  A 302 (-3.6A)
NI  A 301 (-3.4A)
NI  A 302 (-3.6A)
 0.38A 5ayaA-3x2zA:
10.9		 5ayaA-3x2zA:
25.19
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		6 HIS A  74
HIS A  76
ASP A  78
HIS A  79
HIS A 142
HIS A 390
 ZN  A1557 (-3.0A)
ZN  A1557 (-3.2A)
ZN  A1556 (-2.5A)
ZN  A1556 (-3.2A)
ZN  A1557 (-3.3A)
ZN  A1556 (-3.4A)
 0.37A 5ayaA-3zq4A:
12.2		 5ayaA-3zq4A:
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		6 HIS A  62
HIS A  64
ASP A  66
HIS A  67
HIS A 182
HIS A 313
 ZN  A1364 (-3.5A)
ZN  A1364 ( 3.2A)
ZN  A1363 ( 2.6A)
ZN  A1363 (-3.4A)
ZN  A1364 ( 3.5A)
ZN  A1363 ( 3.4A)
 0.35A 5ayaA-3zwfA:
9.9		 5ayaA-3zwfA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		7 HIS A  77
HIS A  79
ASP A  81
HIS A  82
HIS A 145
VAL A 173
HIS A 199
 ZN  A1001 (-3.4A)
ZN  A1001 (-3.3A)
ZN  A1000 (-2.8A)
ZN  A1000 (-3.4A)
ZN  A1001 (-3.3A)
None
ZN  A1000 (-3.3A)
 0.61A 5ayaA-4ad9A:
17.8		 5ayaA-4ad9A:
22.92
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		7 HIS A  77
HIS A  79
ASP A  81
HIS A  82
THR A 172
VAL A 173
HIS A 199
 ZN  A1001 (-3.4A)
ZN  A1001 (-3.3A)
ZN  A1000 (-2.8A)
ZN  A1000 (-3.4A)
None
None
ZN  A1000 (-3.3A)
 0.98A 5ayaA-4ad9A:
17.8		 5ayaA-4ad9A:
22.92
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.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 HIS A 116
HIS A 118
ASP A 120
HIS A 196
HIS A 263
 ZN  A1292 (-3.2A)
ZN  A1292 (-3.1A)
ZN  A1293 (-2.7A)
ZN  A1292 (-3.2A)
ZN  A1293 (-3.3A)
 0.77A 5ayaA-4d1tA:
18.3		 5ayaA-4d1tA:
23.91
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		5 HIS A 154
ASP A 228
HIS A 109
HIS A  11
GLU A  41
 ZN  A 301 ( 3.3A)
ZN  A 303 ( 2.6A)
ZN  A 301 ( 3.3A)
ZN  A 303 ( 3.3A)
None
 1.06A 5ayaA-4gk8A:
undetectable		 5ayaA-4gk8A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		6 HIS A  96
HIS A  98
ASP A 100
HIS A 101
HIS A 185
HIS A 252
 ZN  A 302 (-3.4A)
ZN  A 302 ( 3.2A)
ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 3.3A)
 0.56A 5ayaA-4keqA:
15.2		 5ayaA-4keqA:
22.88
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 HIS A 139
HIS A 141
ASP A 143
HIS A 144
HIS A 226
HIS A 294
 ZN  A 405 (-3.3A)
ZN  A 405 ( 3.1A)
ZN  A 406 (-2.6A)
ZN  A 406 (-3.2A)
ZN  A 405 (-3.1A)
ZN  A 406 (-3.2A)
 0.42A 5ayaA-4le6A:
12.9		 5ayaA-4le6A:
23.14
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 HIS A 192
HIS A 194
ASP A 196
HIS A 197
HIS A 367
 None
None
ZN  A 701 (-2.5A)
ZN  A 701 (-3.3A)
ZN  A 701 (-3.4A)
 0.39A 5ayaA-4nurA:
15.7		 5ayaA-4nurA:
18.12
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		6 HIS A 128
HIS A 130
ASP A 132
HIS A 133
HIS A 213
HIS A 326
 ZN  A 403 (-3.4A)
ZN  A 403 ( 3.2A)
ZN  A 404 ( 2.6A)
ZN  A 404 (-3.3A)
ZN  A 403 ( 3.3A)
ZN  A 404 ( 3.3A)
 0.34A 5ayaA-4ojxA:
9.5		 5ayaA-4ojxA:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p62 METALLO-BETA-LACTAMA
SE AIM-1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		8 HIS A 104
HIS A 106
ASP A 108
HIS A 109
HIS A 182
SER A 207
THR A 209
HIS A 250
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 (-2.4A)
ZN  A 302 (-3.2A)
ZN  A 301 (-3.3A)
ZN  A 302 ( 4.4A)
None
ZN  A 302 (-3.1A)
 0.23A 5ayaA-4p62A:
40.2		 5ayaA-4p62A:
41.28
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		6 HIS A 185
HIS A 187
ASP A 189
HIS A 190
HIS A 253
HIS A 343
 ZN  A 501 (-3.6A)
ZN  A 501 ( 3.4A)
ZN  A 502 ( 2.5A)
ZN  A 502 (-3.5A)
ZN  A 501 ( 3.5A)
ZN  A 502 ( 3.6A)
 0.35A 5ayaA-4qn9A:
8.2		 5ayaA-4qn9A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u4l BETA-LACTAMASE NDM-1

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 HIS A 120
HIS A 122
ASP A 124
HIS A 189
HIS A 250
 ZN  A 301 (-3.3A)
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
3C7  A 303 ( 2.8A)
 0.79A 5ayaA-4u4lA:
17.8		 5ayaA-4u4lA:
25.51
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 5 HIS A  78
HIS A  80
ASP A  82
HIS A 140
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 ( 3.8A)
 0.84A 5ayaA-4ubqA:
17.4		 5ayaA-4ubqA:
23.24
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.
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo sapiens) 		PF00753
(Lactamase_B) 		6 HIS A 117
HIS A 119
ASP A 121
HIS A 122
HIS A 172
HIS A 234
 FE  A1242 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
FE  A1243 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 (-3.2A)
 0.49A 5ayaA-4v0hA:
13.8		 5ayaA-4v0hA:
25.93
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.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		6 HIS A 155
HIS A 157
ASP A 159
HIS A 160
HIS A 244
HIS A 312
 ZN  A 402 (-3.5A)
ZN  A 402 (-3.4A)
ZN  A 401 (-2.7A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
 0.37A 5ayaA-4xukA:
16.0		 5ayaA-4xukA:
25.08
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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		6 HIS A  84
HIS A  86
ASP A  88
HIS A  89
HIS A 153
HIS A 403
 ZN  A 601 (-3.5A)
ZN  A 601 (-3.1A)
ZN  A 602 (-2.7A)
ZN  A 602 (-3.3A)
ZN  A 601 (-3.4A)
ZN  A 602 (-3.2A)
 0.37A 5ayaA-4xwtA:
12.1		 5ayaA-4xwtA:
19.89
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.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 5 HIS A  77
HIS A  79
ASP A  81
HIS A 139
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 ( 3.3A)
 0.74A 5ayaA-4zejA:
16.5		 5ayaA-4zejA:
22.78
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		6 HIS A 145
HIS A 147
ASP A 149
HIS A 150
HIS A 237
ARG A 287
 ZN  A 401 (-3.3A)
ZN  A 401 ( 3.2A)
ZN  A 402 ( 2.6A)
ZN  A 402 (-3.2A)
ZN  A 401 ( 3.2A)
None
 1.34A 5ayaA-4zo3A:
14.9		 5ayaA-4zo3A:
24.14
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		6 HIS A 145
HIS A 147
ASP A 149
HIS A 150
HIS A 237
HIS A 305
 ZN  A 401 (-3.3A)
ZN  A 401 ( 3.2A)
ZN  A 402 ( 2.6A)
ZN  A 402 (-3.2A)
ZN  A 401 ( 3.2A)
ZN  A 402 ( 3.3A)
 0.38A 5ayaA-4zo3A:
14.9		 5ayaA-4zo3A:
24.14
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		6 HIS A  84
HIS A  86
ASP A  88
HIS A  89
HIS A 151
HIS A 399
 ZN  A1458 (-3.6A)
ZN  A1458 (-3.5A)
ZN  A1457 (-2.7A)
ZN  A1457 (-3.5A)
ZN  A1458 (-3.6A)
ZN  A1457 (-3.5A)
 0.40A 5ayaA-5a0tA:
12.4		 5ayaA-5a0tA:
18.21
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.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 HIS A 114
HIS A 116
ASP A 118
HIS A 179
HIS A 240
 ZN  A1263 (-3.2A)
ZN  A1263 (-3.0A)
ZN  A1265 (-2.8A)
ZN  A1263 (-3.2A)
ZN  A1265 ( 3.3A)
 0.77A 5ayaA-5a87A:
18.5		 5ayaA-5a87A:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aeb LRA-12

(uncultured
bacterium BLR12) 		PF00753
(Lactamase_B) 		5 ASP A 120
HIS A 121
HIS A 196
VAL A 225
HIS A 263
 ZN  A1307 (-2.5A)
ZN  A1307 (-3.1A)
ZN  A1308 (-3.0A)
None
ZN  A1307 (-3.2A)
 1.02A 5ayaA-5aebA:
33.0		 5ayaA-5aebA:
29.03
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.
5aeb LRA-12

(uncultured
bacterium BLR12) 		PF00753
(Lactamase_B) 		6 HIS A 118
ASP A 120
HIS A 121
HIS A 196
THR A 223
HIS A 263
 ZN  A1308 (-3.0A)
ZN  A1307 (-2.5A)
ZN  A1307 (-3.1A)
ZN  A1308 (-3.0A)
None
ZN  A1307 (-3.2A)
 0.31A 5ayaA-5aebA:
33.0		 5ayaA-5aebA:
29.03
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.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		5 HIS A  31
HIS A  33
ASP A  35
HIS A  36
HIS A  99
 ZN  A1321 (-3.3A)
ZN  A1321 ( 3.2A)
TLA  A1319 ( 2.7A)
ZN  A1320 ( 3.4A)
ZN  A1321 ( 3.4A)
 0.33A 5ayaA-5ahoA:
7.9		 5ayaA-5ahoA:
20.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		10 HIS A  72
HIS A  74
ASP A  76
HIS A  77
HIS A 150
SER A 175
THR A 177
VAL A 179
HIS A 215
GLU A 217
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 ( 2.5A)
ZN  A 302 ( 3.3A)
ZN  A 301 (-3.2A)
HIW  A 321 ( 2.6A)
HIW  A 321 ( 2.8A)
NA  A 312 (-4.0A)
ZN  A 302 ( 3.3A)
HIW  A 321 ( 4.6A)
 0.41A 5ayaA-5b1uA:
47.5		 5ayaA-5b1uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		10 HIS A  72
HIS A  74
ASP A  76
HIS A 150
SER A 175
THR A 177
VAL A 179
HIS A 215
GLU A 217
ARG A 252
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 (-3.2A)
HIW  A 321 ( 2.6A)
HIW  A 321 ( 2.8A)
NA  A 312 (-4.0A)
ZN  A 302 ( 3.3A)
HIW  A 321 ( 4.6A)
HIW  A 321 (-3.8A)
 0.62A 5ayaA-5b1uA:
47.5		 5ayaA-5b1uA:
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.
5b3r IMP-18

(Pseudomonas
aeruginosa) 		no annotation 5 HIS A  95
HIS A  97
ASP A  99
HIS A 157
HIS A 215
 ZN  A2001 ( 3.4A)
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 3.0A)
 0.87A 5ayaA-5b3rA:
17.4		 5ayaA-5b3rA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		6 HIS A 114
HIS A 116
ASP A 118
HIS A 119
HIS A 200
HIS A 268
 ZN  A 402 (-3.4A)
ZN  A 402 (-3.2A)
ZN  A 401 ( 2.5A)
ZN  A 401 (-3.3A)
ZN  A 402 (-3.4A)
ZN  A 401 ( 3.2A)
 0.39A 5ayaA-5hifA:
16.1		 5ayaA-5hifA:
24.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		7 HIS A  94
HIS A  96
ASP A  98
HIS A  99
HIS A 205
THR A 232
HIS A 269
 ZN  A 400 (-3.6A)
ZN  A 400 (-3.1A)
ZN  A 401 (-3.0A)
ZN  A 401 (-3.5A)
ZN  A 400 (-3.4A)
None
ZN  A 401 (-3.5A)
 0.81A 5ayaA-5i0pA:
16.9		 5ayaA-5i0pA:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		9 HIS A 108
HIS A 110
ASP A 112
HIS A 113
HIS A 186
SER A 211
VAL A 215
HIS A 254
GLU A 256
 ZN  A 401 (-3.2A)
ZN  A 401 (-3.1A)
ZN  A 402 (-2.4A)
ZN  A 402 (-3.1A)
ZN  A 401 (-3.2A)
ZN  A 402 ( 4.1A)
None
ZN  A 402 (-3.2A)
None
 0.38A 5ayaA-5iqkA:
43.0		 5ayaA-5iqkA:
44.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0w CLASS B
CARBAPENEMASE GOB-18

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		5 HIS A 100
ASP A 102
HIS A 103
HIS A 175
HIS A 241
 ZN  A 302 (-3.2A)
ZN  A 301 (-2.6A)
ZN  A 301 (-3.3A)
ZN  A 302 (-3.3A)
ZN  A 301 (-3.3A)
 0.18A 5ayaA-5k0wA:
32.4		 5ayaA-5k0wA:
28.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		5 HIS E 116
HIS E 118
ASP E 120
HIS E 196
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 (-3.3A)
 0.73A 5ayaA-5mmdE:
17.3		 5ayaA-5mmdE:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		6 HIS A 540
HIS A 542
ASP A 544
HIS A 545
HIS A 670
HIS A 759
 ZN  A 901 (-3.4A)
ZN  A 901 ( 3.1A)
ZN  A 902 ( 2.6A)
ZN  A 902 (-3.4A)
ZN  A 901 ( 3.5A)
ZN  A 902 ( 3.2A)
 0.29A 5ayaA-5mtzA:
8.1		 5ayaA-5mtzA:
14.42
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) 		6 HIS A  94
HIS A  96
ASP A  98
HIS A  99
HIS A 205
HIS A 269
 CA  A 404 (-3.4A)
CA  A 404 (-3.2A)
CA  A 403 (-3.0A)
CA  A 403 (-3.7A)
CA  A 404 (-3.3A)
CA  A 403 (-3.7A)
 0.58A 5ayaA-6ao1A:
16.3		 5ayaA-6ao1A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		6 HIS A  94
HIS A  96
ASP A  98
HIS A  99
HIS A 205
THR A 232
 CA  A 404 (-3.4A)
CA  A 404 (-3.2A)
CA  A 403 (-3.0A)
CA  A 403 (-3.7A)
CA  A 404 (-3.3A)
None
 0.81A 5ayaA-6ao1A:
16.3		 5ayaA-6ao1A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6brm PUTATIVE
METAL-DEPENDENT
ISOTHIOCYANATE
HYDROLASE SAXA

(Pectobacterium
carotovorum) 		no annotation 6 HIS A  67
HIS A  69
ASP A  71
HIS A  72
HIS A 128
HIS A 221
 ZN  A 301 (-3.4A)
ZN  A 301 (-3.3A)
ZN  A 302 (-2.7A)
ZN  A 302 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 302 (-3.4A)
 0.45A 5ayaA-6brmA:
7.6		 5ayaA-6brmA:
16.96
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.
6ch0 -

(-) 		no annotation 6 HIS C 118
HIS C 120
ASP C 122
HIS C 123
HIS C 198
HIS C 266
 CO  C 302 (-3.3A)
CO  C 302 ( 3.1A)
CO  C 301 ( 2.6A)
CO  C 301 (-3.3A)
CO  C 302 ( 3.4A)
CO  C 301 ( 3.3A)
 0.48A 5ayaA-6ch0C:
14.8		 5ayaA-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 6 HIS C 118
HIS C 120
ASP C 122
HIS C 123
SER C 219
HIS C 266
 CO  C 302 (-3.3A)
CO  C 302 ( 3.1A)
CO  C 301 ( 2.6A)
CO  C 301 (-3.3A)
None
CO  C 301 ( 3.3A)
 1.18A 5ayaA-6ch0C:
14.8		 5ayaA-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.
6e0s -

(-) 		no annotation 5 HIS A  91
HIS A  93
HIS A  96
HIS A 169
HIS A 237
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 302 (-4.2A)
ZN  A 301 (-3.4A)
ZN  A 302 (-4.3A)
 0.39A 5ayaA-6e0sA:
43.4		 5ayaA-6e0sA:
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.
6e0s -

(-) 		no annotation 5 HIS A  91
HIS A  93
HIS A 169
SER A 194
HIS A 237
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
None
ZN  A 302 (-4.3A)
 0.84A 5ayaA-6e0sA:
43.4		 5ayaA-6e0sA:
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.
6e0s -

(-) 		no annotation 5 HIS A  91
HIS A  96
HIS A 169
HIS A 237
ARG A 274
 ZN  A 301 (-3.3A)
ZN  A 302 (-4.2A)
ZN  A 301 (-3.4A)
ZN  A 302 (-4.3A)
None
 0.70A 5ayaA-6e0sA:
43.4		 5ayaA-6e0sA:
undetectable