SIMILAR PATTERNS OF AMINO ACIDS FOR 4EXS_A_X8ZA301

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) 		6 VAL A  31
HIS A  79
ASP A  81
HIS A 139
CYH A 158
HIS A 197
 None
ZN  A 500 (-3.4A)
ZN  A 501 ( 2.7A)
ZN  A 500 (-3.3A)
ZN  A 501 ( 2.4A)
ZN  A 501 ( 3.4A)
 0.38A 4exsA-1ddkA:
30.3		 4exsA-1ddkA:
29.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hlk BETA-LACTAMASE, TYPE
II

(Bacteroides
fragilis) 		no annotation 6 VAL A  52
HIS A 101
ASP A 103
HIS A 162
CYH A 181
HIS A 223
 113  A2002 ( 4.9A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 ( 3.6A)
 0.42A 4exsA-1hlkA:
31.8		 4exsA-1hlkA:
27.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m2x CLASS B
CARBAPENEMASE BLAB-1

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		5 HIS A 118
ASP A 120
HIS A 196
CYH A 221
HIS A 263
 ZN  A 901 ( 3.1A)
ZN  A 902 ( 2.5A)
ZN  A 901 ( 3.2A)
ZN  A 902 (-2.3A)
ZN  A 902 (-3.2A)
 0.16A 4exsA-1m2xA:
29.2		 4exsA-1m2xA:
27.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		6 VAL A  39
TRP A  59
HIS A  88
ASP A  90
HIS A 149
HIS A 210
 None
None
ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 (-3.2A)
ZN  A 302 (-4.1A)
 0.72A 4exsA-2nypA:
30.7		 4exsA-2nypA:
29.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynt GIM-1 PROTEIN

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 TRP B  87
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 1.01A 4exsA-2yntB:
31.8		 4exsA-2yntB:
29.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynt GIM-1 PROTEIN

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		6 VAL B  67
HIS B 118
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 0.46A 4exsA-2yntB:
31.8		 4exsA-2yntB:
29.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fai BETA-LACTAMASE

(Aeromonas
hydrophila) 		PF00753
(Lactamase_B) 		8 VAL A  67
TRP A  87
HIS A 118
ASP A 120
HIS A 196
CYH A 221
ASN A 233
HIS A 263
 None
None
ZN  A   2 ( 3.1A)
ZN  A   1 ( 2.5A)
ZN  A   2 ( 3.2A)
ZN  A   1 ( 2.2A)
None
ZN  A   1 ( 3.2A)
 0.65A 4exsA-3faiA:
12.8		 4exsA-3faiA:
26.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6n METALLO-BETA-LACTAMA
SE

(Chryseobacterium
indologenes) 		PF00753
(Lactamase_B) 		5 HIS A  98
ASP A 100
HIS A 159
CYH A 178
HIS A 220
 ZN  A 301 (-3.1A)
ZN  A 302 (-2.5A)
ZN  A 301 (-3.2A)
ZN  A 302 (-2.0A)
ZN  A 302 (-3.6A)
 0.40A 4exsA-3l6nA:
28.1		 4exsA-3l6nA:
24.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		5 VAL A  67
TRP A  87
HIS A 118
ASN A 233
HIS A 263
 None
None
GOL  A   1 (-3.4A)
GOL  A   1 (-3.4A)
ZN  A   2 ( 3.3A)
 0.75A 4exsA-3q6vA:
26.9		 4exsA-3q6vA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		7 VAL A  67
TRP A  87
HIS A 118
ASP A 120
HIS A 196
CYH A 221
HIS A 263
 None
None
GOL  A   1 (-3.4A)
ZN  A   2 ( 2.4A)
GOL  A   1 (-3.5A)
ZN  A   2 ( 2.2A)
ZN  A   2 ( 3.3A)
 0.42A 4exsA-3q6vA:
26.9		 4exsA-3q6vA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rpc POSSIBLE
METAL-DEPENDENT
HYDROLASE

(Veillonella
parvula) 		PF12706
(Lactamase_B_2) 		5 MET A  46
VAL A 227
HIS A  71
HIS A 129
HIS A 223
 None
None
ZN  A 301 (-3.4A)
ZN  A 301 (-3.3A)
ZN  A 302 (-3.5A)
 1.34A 4exsA-3rpcA:
7.0		 4exsA-3rpcA:
26.96
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) 		5 HIS A 118
ASP A 120
HIS A 196
CYH A 221
HIS A 263
 ZN  A1292 (-3.1A)
ZN  A1293 (-2.7A)
ZN  A1292 (-3.2A)
ZN  A1293 (-2.3A)
ZN  A1293 (-3.3A)
 0.21A 4exsA-4d1tA:
33.2		 4exsA-4d1tA:
33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 TRP A  87
ASP A 120
HIS A 196
CYH A 221
HIS A 263
 None
ZN  A1293 (-2.7A)
ZN  A1292 (-3.2A)
ZN  A1293 (-2.3A)
ZN  A1293 (-3.3A)
 1.02A 4exsA-4d1tA:
33.2		 4exsA-4d1tA:
33.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		5 VAL A  55
HIS A 141
ASP A 143
HIS A 226
HIS A 294
 EDO  A 407 ( 4.8A)
ZN  A 405 ( 3.1A)
ZN  A 406 (-2.6A)
ZN  A 405 (-3.1A)
ZN  A 406 (-3.2A)
 0.89A 4exsA-4le6A:
13.0		 4exsA-4le6A:
26.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u4l BETA-LACTAMASE NDM-1

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		8 MET A  67
VAL A  73
TRP A  93
HIS A 122
ASP A 124
HIS A 189
CYH A 208
HIS A 250
 3C7  A 303 ( 3.5A)
3C7  A 303 ( 4.8A)
None
ZN  A 301 ( 3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-2.2A)
3C7  A 303 ( 2.8A)
 0.31A 4exsA-4u4lA:
42.8		 4exsA-4u4lA:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 5 VAL A  32
ASP A  82
CYH A 159
ASN A 168
HIS A 198
 None
ZN  A 302 (-3.0A)
ZN  A 302 (-1.8A)
ACT  A 303 (-4.4A)
ZN  A 302 ( 3.8A)
 0.75A 4exsA-4ubqA:
30.8		 4exsA-4ubqA:
31.78
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 VAL A  32
HIS A  80
ASP A  82
HIS A 140
CYH A 159
HIS A 198
 None
ZN  A 301 ( 3.2A)
ZN  A 302 (-3.0A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-1.8A)
ZN  A 302 ( 3.8A)
 0.38A 4exsA-4ubqA:
30.8		 4exsA-4ubqA:
31.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 MET A  73
HIS A 157
ASP A 159
HIS A 155
HIS A 312
 None
ZN  A 402 (-3.4A)
ZN  A 401 (-2.7A)
ZN  A 402 (-3.5A)
ZN  A 401 (-3.4A)
 1.31A 4exsA-4xukA:
3.2		 4exsA-4xukA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 MET A  73
HIS A 157
ASP A 159
HIS A 244
HIS A 312
 None
ZN  A 402 (-3.4A)
ZN  A 401 (-2.7A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
 1.37A 4exsA-4xukA:
3.2		 4exsA-4xukA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 5 TRP A  51
ASP A  81
HIS A 139
CYH A 158
HIS A 200
 None
ZN  A 301 ( 2.5A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.1A)
ZN  A 301 ( 3.3A)
 0.93A 4exsA-4zejA:
31.8		 4exsA-4zejA:
28.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 6 VAL A  31
HIS A  79
ASP A  81
HIS A 139
CYH A 158
HIS A 200
 None
ZN  A 302 (-3.1A)
ZN  A 301 ( 2.5A)
ZN  A 302 (-3.3A)
ZN  A 301 ( 2.1A)
ZN  A 301 ( 3.3A)
 0.37A 4exsA-4zejA:
31.8		 4exsA-4zejA:
28.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 HIS A 116
ASP A 118
HIS A 179
CYH A 198
HIS A 240
 ZN  A1263 (-3.0A)
ZN  A1265 (-2.8A)
ZN  A1263 (-3.2A)
ZN  A1265 (-2.2A)
ZN  A1265 ( 3.3A)
 0.24A 4exsA-5a87A:
32.8		 4exsA-5a87A:
36.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 TRP A  87
ASP A 118
HIS A 179
CYH A 198
HIS A 240
 GOL  A1262 ( 4.8A)
ZN  A1265 (-2.8A)
ZN  A1263 (-3.2A)
ZN  A1265 (-2.2A)
ZN  A1265 ( 3.3A)
 0.97A 4exsA-5a87A:
32.8		 4exsA-5a87A:
36.46
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 VAL A  49
HIS A  97
ASP A  99
HIS A 157
CYH A 176
HIS A 215
 None
ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
ZN  A2002 ( 3.0A)
 0.67A 4exsA-5b3rA:
30.5		 4exsA-5b3rA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		5 TRP E  87
ASP E 120
HIS E 196
CYH E 221
HIS E 263
 None
ZN  E 401 (-2.5A)
ZN  E 403 (-3.1A)
ZN  E 401 (-2.3A)
ZN  E 401 (-3.3A)
 0.93A 4exsA-5mmdE:
31.9		 4exsA-5mmdE:
32.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		6 VAL E  67
HIS E 118
ASP E 120
HIS E 196
CYH E 221
HIS E 263
 None
ZN  E 403 (-3.1A)
ZN  E 401 (-2.5A)
ZN  E 403 (-3.1A)
ZN  E 401 (-2.3A)
ZN  E 401 (-3.3A)
 0.26A 4exsA-5mmdE:
31.9		 4exsA-5mmdE:
32.00