SIMILAR PATTERNS OF AMINO ACIDS FOR 4C1D_A_X8ZA350

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) 		6 HIS A  79
ASP A  81
HIS A 139
CYH A 158
ASN A 167
HIS A 197
 ZN  A 500 (-3.4A)
ZN  A 501 ( 2.7A)
ZN  A 500 (-3.3A)
ZN  A 501 ( 2.4A)
ACY  A 510 (-4.4A)
ZN  A 501 ( 3.4A)
 0.37A 4c1dA-1ddkA:
31.4		 4c1dA-1ddkA:
33.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hlk BETA-LACTAMASE, TYPE
II

(Bacteroides
fragilis) 		no annotation 6 HIS A 101
ASP A 103
HIS A 162
CYH A 181
ASN A 193
HIS A 223
 ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 (-4.1A)
113  A2002 ( 3.6A)
 0.37A 4c1dA-1hlkA:
32.5		 4c1dA-1hlkA:
32.51
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.
1m2x CLASS B
CARBAPENEMASE BLAB-1

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		7 TYR A  67
TRP A  87
HIS A 118
ASP A 120
HIS A 196
CYH A 221
HIS A 263
 None
MCO  A 811 ( 4.8A)
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)
 0.60A 4c1dA-1m2xA:
32.2		 4c1dA-1m2xA:
28.63
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		5 HIS A 112
ASP A 114
HIS A 110
ASN A 208
HIS A 254
 FE  A 401 ( 3.3A)
FE  A 402 ( 2.6A)
FE  A 401 (-3.5A)
PC  A 501 ( 2.6A)
FE  A 402 ( 3.4A)
 1.42A 4c1dA-1wraA:
10.0		 4c1dA-1wraA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ztc HYPOTHETICAL PROTEIN
TM0894

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 PHE A  13
HIS A  71
ASP A  73
HIS A 140
HIS A 199
 None
NI  A 302 (-3.2A)
NI  A 301 (-3.2A)
NI  A 302 (-3.4A)
NI  A 301 (-3.4A)
 0.89A 4c1dA-1ztcA:
3.1		 4c1dA-1ztcA:
22.75
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) 		5 TYR B  67
HIS B 118
ASP B 120
HIS B 196
HIS B 263
 None
ZN  B 317 (-3.2A)
ZN  B 317 ( 4.0A)
ZN  B 317 ( 3.2A)
CSO  B 221 (-3.5A)
 0.81A 4c1dA-2fhxB:
28.4		 4c1dA-2fhxB:
30.51
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) 		5 HIS A  88
ASP A  90
HIS A 149
ASN A 180
HIS A 210
 ZN  A 301 (-3.1A)
ZN  A 302 (-3.3A)
ZN  A 301 (-3.2A)
None
ZN  A 302 (-4.1A)
 0.63A 4c1dA-2nypA:
32.0		 4c1dA-2nypA:
37.33
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) 		5 TRP A  59
ASP A  90
HIS A 149
ASN A 180
HIS A 210
 None
ZN  A 302 (-3.3A)
ZN  A 301 (-3.2A)
None
ZN  A 302 (-4.1A)
 1.26A 4c1dA-2nypA:
32.0		 4c1dA-2nypA:
37.33
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 TRP B  87
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)
 0.28A 4c1dA-2yntB:
34.0		 4c1dA-2yntB:
34.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fai BETA-LACTAMASE

(Aeromonas
hydrophila) 		PF00753
(Lactamase_B) 		5 HIS A 118
ASP A 120
HIS A 196
CYH A 221
HIS A 263
 ZN  A   2 ( 3.1A)
ZN  A   1 ( 2.5A)
ZN  A   2 ( 3.2A)
ZN  A   1 ( 2.2A)
ZN  A   1 ( 3.2A)
 0.60A 4c1dA-3faiA:
29.4		 4c1dA-3faiA:
30.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fai BETA-LACTAMASE

(Aeromonas
hydrophila) 		PF00753
(Lactamase_B) 		5 TRP A  87
ASP A 120
HIS A 196
CYH A 221
HIS A 263
 None
ZN  A   1 ( 2.5A)
ZN  A   2 ( 3.2A)
ZN  A   1 ( 2.2A)
ZN  A   1 ( 3.2A)
 1.27A 4c1dA-3faiA:
29.4		 4c1dA-3faiA:
30.71
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		5 HIS A 177
ASP A 150
HIS A 230
ASN A 276
HIS A  60
 None
ZN  A 500 ( 4.5A)
ZN  A 500 ( 4.8A)
None
ZN  A 500 (-3.7A)
 1.05A 4c1dA-3griA:
undetectable		 4c1dA-3griA:
19.95
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.
3l6n METALLO-BETA-LACTAMA
SE

(Chryseobacterium
indologenes) 		PF00753
(Lactamase_B) 		7 TYR A  49
TRP A  69
HIS A  98
ASP A 100
HIS A 159
CYH A 178
HIS A 220
 None
None
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)
 0.57A 4c1dA-3l6nA:
30.3		 4c1dA-3l6nA:
28.22
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 HIS A 178
ASP A 151
HIS A 231
ASN A 277
HIS A  61
 ZN  A 430 (-3.3A)
ZN  A 429 ( 2.7A)
ZN  A 430 (-3.6A)
None
ZN  A 429 (-3.6A)
 1.21A 4c1dA-3mpgA:
undetectable		 4c1dA-3mpgA:
22.79
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		6 HIS A 118
ASP A 120
HIS A 196
CYH A 221
ASN A 233
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 (-3.4A)
ZN  A   2 ( 3.3A)
 0.50A 4c1dA-3q6vA:
28.8		 4c1dA-3q6vA:
29.23
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		6 TRP A  87
ASP A 120
HIS A 196
CYH A 221
ASN A 233
HIS A 263
 None
ZN  A   2 ( 2.4A)
GOL  A   1 (-3.5A)
ZN  A   2 ( 2.2A)
GOL  A   1 (-3.4A)
ZN  A   2 ( 3.3A)
 1.22A 4c1dA-3q6vA:
28.8		 4c1dA-3q6vA:
29.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		8 TYR 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  A1292 (-3.1A)
ZN  A1293 (-2.7A)
ZN  A1292 (-3.2A)
ZN  A1293 (-2.3A)
None
ZN  A1293 (-3.3A)
 0.33A 4c1dA-4d1tA:
43.3		 4c1dA-4d1tA:
74.22
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 HIS A 122
ASP A 124
HIS A 189
CYH A 208
HIS A 250
 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)
 0.23A 4c1dA-4u4lA:
32.4		 4c1dA-4u4lA:
38.34
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 6 HIS A  80
ASP A  82
HIS A 140
CYH A 159
ASN A 168
HIS A 198
 ZN  A 301 ( 3.2A)
ZN  A 302 (-3.0A)
ZN  A 301 ( 3.3A)
ZN  A 302 (-1.8A)
ACT  A 303 (-4.4A)
ZN  A 302 ( 3.8A)
 0.36A 4c1dA-4ubqA:
31.6		 4c1dA-4ubqA:
29.72
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 6 TRP A  51
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)
 0.45A 4c1dA-4zejA:
33.8		 4c1dA-4zejA:
34.73
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) 		8 TYR A  67
TRP A  87
HIS A 116
ASP A 118
HIS A 179
CYH A 198
ASN A 210
HIS A 240
 GOL  A1262 ( 4.7A)
GOL  A1262 ( 4.8A)
ZN  A1263 (-3.0A)
ZN  A1265 (-2.8A)
ZN  A1263 (-3.2A)
ZN  A1265 (-2.2A)
GOL  A1262 (-4.1A)
ZN  A1265 ( 3.3A)
 0.45A 4c1dA-5a87A:
44.7		 4c1dA-5a87A:
90.32
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  97
ASP A  99
HIS A 157
CYH A 176
ASN A 185
HIS A 215
 ZN  A2001 ( 3.0A)
CIT  A2003 ( 2.7A)
ZN  A2001 ( 3.3A)
ZN  A2002 ( 2.2A)
CIT  A2003 (-4.0A)
ZN  A2002 ( 3.0A)
 0.31A 4c1dA-5b3rA:
31.7		 4c1dA-5b3rA:
31.15
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 TRP E  87
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)
 0.36A 4c1dA-5mmdE:
34.0		 4c1dA-5mmdE:
36.18