SIMILAR PATTERNS OF AMINO ACIDS FOR 2X8P_A_OINA1313_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
LYS A 225
TRP A 230
TYR A 252
 None
 1.32A 2x8pA-1h09A:
10.5		 2x8pA-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
LYS A 246
TRP A 251
TYR A 272
 None
 0.45A 2x8pA-1h09A:
10.5		 2x8pA-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
LYS A 243
TRP A 248
TYR A 269
 CHT  A 402 ( 4.2A)
None
CHT  A 402 (-3.8A)
CHT  A 402 (-4.9A)
 0.38A 2x8pA-1h8gA:
5.8		 2x8pA-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 314
LYS A 316
TRP A 322
TYR A 345
 None
 0.66A 2x8pA-2bibA:
15.0		 2x8pA-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 358
LYS A 360
TRP A 365
TYR A 386
 None
 0.34A 2x8pA-2bibA:
15.0		 2x8pA-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
LYS A 380
TRP A 385
TYR A 406
 BTB  A1546 (-3.8A)
None
BTB  A1546 (-4.0A)
BTB  A1546 (-4.6A)
 0.41A 2x8pA-2bibA:
15.0		 2x8pA-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
LYS A 440
TRP A 445
TYR A 466
 BTB  A1547 (-3.5A)
None
BTB  A1547 (-3.6A)
BTB  A1547 (-4.4A)
 0.66A 2x8pA-2bibA:
15.0		 2x8pA-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 478
LYS A 480
TRP A 485
TYR A 506
 BTB  A1548 (-3.6A)
None
BTB  A1548 ( 3.9A)
BTB  A1548 (-4.0A)
 0.23A 2x8pA-2bibA:
15.0		 2x8pA-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
LYS A 222
TRP A 228
TYR A 249
 TRS  A1319 (-3.3A)
None
TRS  A1319 ( 4.1A)
TRS  A1319 ( 4.8A)
 0.37A 2x8pA-2bmlA:
9.0		 2x8pA-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
LYS A 243
TRP A 248
TYR A 269
 None
 0.55A 2x8pA-2bmlA:
9.0		 2x8pA-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 261
LYS A 263
TRP A 268
TYR A 293
 TRS  A1320 (-3.2A)
None
TRS  A1320 (-3.6A)
TRS  A1320 (-3.7A)
 0.83A 2x8pA-2bmlA:
9.0		 2x8pA-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 183
LYS A 185
TRP A 190
TYR A 208
 None
 0.80A 2x8pA-2wwdA:
4.6		 2x8pA-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.
4cnl PUTATIVE
PNEUMOCOCCAL SURFACE
PROTEIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TRP A  96
LYS A  98
TRP A 103
TYR A 121
 CHT  A1276 (-3.3A)
None
CHT  A1276 ( 3.9A)
CHT  A1276 ( 3.8A)
 0.73A 2x8pA-4cnlA:
11.7		 2x8pA-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
LYS A 222
TRP A 228
TYR A 249
 CHT  A 401 (-3.5A)
None
CHT  A 401 (-3.9A)
None
 0.38A 2x8pA-4iwtA:
7.4		 2x8pA-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
LYS A 222
TRP A 228
TYR A 249
 CHT  A 408 (-3.7A)
None
CHT  A 408 (-3.5A)
CHT  A 408 ( 4.7A)
 0.40A 2x8pA-4x36A:
9.0		 2x8pA-4x36A:
30.64