SIMILAR PATTERNS OF AMINO ACIDS FOR 2X8O_A_OINA1317_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.
1h09 LYSOZYME

(Streptococcus
virus Cp1) 		PF01183
(Glyco_hydro_25)
PF01473
(CW_binding_1) 		4 TRP A 223
TRP A 230
TYR A 252
MET A 260
 None
 0.36A 2x8oA-1h09A:
8.6		 2x8oA-1h09A:
29.43
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.
1h09 LYSOZYME

(Streptococcus
virus Cp1) 		PF01183
(Glyco_hydro_25)
PF01473
(CW_binding_1) 		4 TRP A 244
TRP A 251
TYR A 272
MET A 280
 None
 0.25A 2x8oA-1h09A:
8.6		 2x8oA-1h09A:
29.43
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.
1h8g MAJOR AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 241
TRP A 248
TYR A 269
MET A 278
 CHT  A 402 ( 4.2A)
CHT  A 402 (-3.8A)
CHT  A 402 (-4.9A)
CHT  A 402 ( 4.1A)
 0.27A 2x8oA-1h8gA:
8.5		 2x8oA-1h8gA:
15.92
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		4 TRP A 358
TRP A 365
TYR A 386
MET A 394
 None
 0.39A 2x8oA-2bibA:
7.7		 2x8oA-2bibA:
25.09
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		4 TRP A 378
TRP A 385
TYR A 406
MET A 414
 BTB  A1546 (-3.8A)
BTB  A1546 (-4.0A)
BTB  A1546 (-4.6A)
BTB  A1546 (-3.6A)
 0.31A 2x8oA-2bibA:
7.7		 2x8oA-2bibA:
25.09
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		4 TRP A 398
TRP A 405
TYR A 426
MET A 434
 BTB  A1545 (-3.6A)
BTB  A1545 (-3.8A)
BTB  A1545 (-4.9A)
BTB  A1545 ( 3.9A)
 0.39A 2x8oA-2bibA:
7.7		 2x8oA-2bibA:
25.09
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		4 TRP A 418
TRP A 425
TYR A 446
MET A 454
 BTB  A1542 ( 3.8A)
BTB  A1542 (-3.5A)
BTB  A1542 (-4.5A)
BTB  A1542 (-3.1A)
 0.29A 2x8oA-2bibA:
7.7		 2x8oA-2bibA:
25.09
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		4 TRP A 438
TRP A 445
TYR A 466
MET A 474
 BTB  A1547 (-3.5A)
BTB  A1547 (-3.6A)
BTB  A1547 (-4.4A)
BTB  A1547 ( 4.3A)
 0.23A 2x8oA-2bibA:
7.7		 2x8oA-2bibA:
25.09
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.
2bml AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 220
TRP A 228
TYR A 249
MET A 257
 TRS  A1319 (-3.3A)
TRS  A1319 ( 4.1A)
TRS  A1319 ( 4.8A)
TRS  A1319 ( 4.1A)
 0.34A 2x8oA-2bmlA:
8.3		 2x8oA-2bmlA:
21.32
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.
2bml AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 241
TRP A 248
TYR A 269
MET A 278
 None
 0.45A 2x8oA-2bmlA:
8.3		 2x8oA-2bmlA:
21.32
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.
2wwd 1,4-BETA-N-ACETYLMUR
AMIDASE

(Streptococcus
pneumoniae) 		PF01183
(Glyco_hydro_25)
PF01473
(CW_binding_1) 		4 TRP A  59
TRP A  68
TYR A  86
MET A  94
 CHT  A 702 (-3.6A)
CHT  A 702 (-3.9A)
CHT  A 702 (-3.7A)
CHT  A 702 ( 3.5A)
 0.64A 2x8oA-2wwdA:
10.6		 2x8oA-2wwdA:
22.36
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.
2wwd 1,4-BETA-N-ACETYLMUR
AMIDASE

(Streptococcus
pneumoniae) 		PF01183
(Glyco_hydro_25)
PF01473
(CW_binding_1) 		4 TRP A  99
TRP A 108
TYR A 130
MET A 138
 CHT  A 704 (-3.7A)
CHT  A 704 (-3.6A)
CHT  A 704 (-4.6A)
CHT  A 704 (-3.4A)
 0.31A 2x8oA-2wwdA:
10.6		 2x8oA-2wwdA:
22.36
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.
2wwd 1,4-BETA-N-ACETYLMUR
AMIDASE

(Streptococcus
pneumoniae) 		PF01183
(Glyco_hydro_25)
PF01473
(CW_binding_1) 		4 TRP A 122
TRP A 129
TYR A 147
MET A 155
 CHT  A 705 ( 3.7A)
CHT  A 705 (-4.1A)
CHT  A 705 ( 4.0A)
CHT  A 705 ( 4.1A)
 0.80A 2x8oA-2wwdA:
10.6		 2x8oA-2wwdA:
22.36
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.
2wwd 1,4-BETA-N-ACETYLMUR
AMIDASE

(Streptococcus
pneumoniae) 		PF01183
(Glyco_hydro_25)
PF01473
(CW_binding_1) 		4 TRP A 183
TRP A 190
TYR A 208
MET A 216
 None
 0.71A 2x8oA-2wwdA:
10.6		 2x8oA-2wwdA:
22.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x8p CHOLINE-BINDING
PROTEIN F

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 130
TRP A 137
TYR A 182
MET A 190
 CHT  A1321 (-4.0A)
CHT  A1321 (-3.9A)
None
CHT  A1321 (-3.5A)
 0.22A 2x8oA-2x8pA:
37.2		 2x8oA-2x8pA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x8p CHOLINE-BINDING
PROTEIN F

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 163
TRP A 181
TYR A 202
MET A 210
 OIN  A1315 (-3.5A)
OIN  A1315 (-3.5A)
None
OIN  A1315 ( 4.4A)
 0.42A 2x8oA-2x8pA:
37.2		 2x8oA-2x8pA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x8p CHOLINE-BINDING
PROTEIN F

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 194
TRP A 201
TYR A 222
MET A 231
 OIN  A1313 (-3.6A)
OIN  A1313 (-3.6A)
OIN  A1313 ( 4.8A)
OIN  A1313 ( 4.9A)
 0.22A 2x8oA-2x8pA:
37.2		 2x8oA-2x8pA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x8p CHOLINE-BINDING
PROTEIN F

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 214
TRP A 221
TYR A 243
MET A 251
 CHT  A1320 (-3.8A)
CHT  A1320 (-3.6A)
None
CHT  A1320 ( 4.6A)
 0.18A 2x8oA-2x8pA:
37.2		 2x8oA-2x8pA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x8p CHOLINE-BINDING
PROTEIN F

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 235
TRP A 242
TYR A 263
MET A 272
 CHT  A1319 (-3.6A)
CHT  A1319 (-3.9A)
None
CHT  A1319 ( 4.5A)
 0.26A 2x8oA-2x8pA:
37.2		 2x8oA-2x8pA:
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.
3hia CHOLINE BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A  53
TRP A  60
TYR A  81
MET A  89
 None
 0.84A 2x8oA-3hiaA:
6.4		 2x8oA-3hiaA:
20.90
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.
4cnl PUTATIVE
PNEUMOCOCCAL SURFACE
PROTEIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A  96
TRP A 103
TYR A 121
MET A 129
 CHT  A1276 (-3.3A)
CHT  A1276 ( 3.9A)
CHT  A1276 ( 3.8A)
CHT  A1276 ( 3.7A)
 0.60A 2x8oA-4cnlA:
10.9		 2x8oA-4cnlA:
29.15
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.
4cnl PUTATIVE
PNEUMOCOCCAL SURFACE
PROTEIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 134
TRP A 143
TYR A 161
MET A 169
 CHT  A1280 (-3.4A)
CHT  A1280 ( 3.7A)
CHT  A1280 (-3.6A)
CHT  A1280 (-3.6A)
 0.77A 2x8oA-4cnlA:
10.9		 2x8oA-4cnlA:
29.15
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.
4cnl PUTATIVE
PNEUMOCOCCAL SURFACE
PROTEIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 174
TRP A 183
TYR A 201
MET A 209
 CHT  A1274 (-3.2A)
CHT  A1274 (-3.6A)
CHT  A1274 (-3.5A)
CHT  A1274 (-3.4A)
 0.73A 2x8oA-4cnlA:
10.9		 2x8oA-4cnlA:
29.15
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.
4cnl PUTATIVE
PNEUMOCOCCAL SURFACE
PROTEIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 214
TRP A 223
TYR A 241
MET A 249
 CHT  A1275 (-3.5A)
CHT  A1275 (-3.6A)
CHT  A1275 (-3.7A)
CHT  A1275 (-3.6A)
 0.78A 2x8oA-4cnlA:
10.9		 2x8oA-4cnlA:
29.15
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.
4iwt LYTIC AMIDASE

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 220
TRP A 228
TYR A 249
MET A 257
 CHT  A 401 (-3.5A)
CHT  A 401 (-3.9A)
None
CHT  A 401 ( 4.4A)
 0.38A 2x8oA-4iwtA:
7.2		 2x8oA-4iwtA:
24.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iwt LYTIC AMIDASE

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A 241
TRP A 248
TYR A 269
MET A 278
 CHT  A 402 (-3.5A)
CHT  A 402 (-3.7A)
CHT  A 402 (-4.2A)
CHT  A 402 ( 3.8A)
 0.74A 2x8oA-4iwtA:
7.2		 2x8oA-4iwtA:
24.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x36 AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1)
PF01510
(Amidase_2) 		4 TRP A 220
TRP A 228
TYR A 249
MET A 257
 CHT  A 408 (-3.7A)
CHT  A 408 (-3.5A)
CHT  A 408 ( 4.7A)
CHT  A 408 ( 3.7A)
 0.36A 2x8oA-4x36A:
6.9		 2x8oA-4x36A:
30.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x36 AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1)
PF01510
(Amidase_2) 		4 TRP A 241
TRP A 248
TYR A 269
MET A 278
 CHT  A 409 ( 3.7A)
CHT  A 409 (-3.8A)
CHT  A 409 (-4.0A)
CHT  A 409 ( 4.1A)
 0.97A 2x8oA-4x36A:
6.9		 2x8oA-4x36A:
30.64