SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4xhb'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1A4G_A_ZMRA466_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.20A 1a4gA-4xhbA:
22.5		 1a4gA-4xhbA:
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.
1A4G_A_ZMRA466_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.59A 1a4gA-4xhbA:
22.5		 1a4gA-4xhbA:
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.
1A4G_B_ZMRB466_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.20A 1a4gB-4xhbA:
22.4		 1a4gB-4xhbA:
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.
1A4G_B_ZMRB466_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.44A 1a4gB-4xhbA:
22.4		 1a4gB-4xhbA:
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.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 8 SER A 259
ALA A 278
PHE A 294
ILE A 261
 None
 1.12A 1gm7A-4xhbA:
undetectable
1gm7B-4xhbA:
undetectable		 1gm7A-4xhbA:
16.72
1gm7B-4xhbA:
21.54
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.
1GMK_A_DVAA6_0
(GRAMICIDIN A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ALA A  78
VAL A 142
TRP A 134
 None
 0.95A 1gmkA-4xhbA:
undetectable
1gmkB-4xhbA:
undetectable		 1gmkA-4xhbA:
1.92
1gmkB-4xhbA:
1.92
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.
1GMK_C_DVAC6_0
(GRAMICIDIN A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ALA A  78
VAL A 142
TRP A 134
 None
 0.82A 1gmkC-4xhbA:
undetectable
1gmkD-4xhbA:
undetectable		 1gmkC-4xhbA:
1.92
1gmkD-4xhbA:
1.92
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.
1GSE_A_EAAA224_1
(GLUTATHIONE
TRANSFERASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 TYR A 649
ARG A 107
GLY A 110
ALA A  78
PHE A  76
 None
 1.16A 1gseA-4xhbA:
undetectable		 1gseA-4xhbA:
16.45
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.
1GX9_A_REAA1163_1
(BETA-LACTOGLOBULIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 11 LEU A 624
ILE A 581
ILE A 584
VAL A 593
PHE A 555
 None
 1.39A 1gx9A-4xhbA:
undetectable		 1gx9A-4xhbA:
13.91
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.
1KQE_A_DVAA6_0
(MINI-GRAMICIDIN A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ALA A 241
VAL A 306
TRP A 308
 None
 0.76A 1kqeA-4xhbA:
undetectable
1kqeE-4xhbA:
undetectable		 1kqeA-4xhbA:
1.44
1kqeE-4xhbA:
1.44
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.
1KQE_B_DVAB6_0
(MINI-GRAMICIDIN A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ALA A 241
VAL A 306
TRP A 308
 None
 0.74A 1kqeB-4xhbA:
undetectable
1kqeD-4xhbA:
undetectable		 1kqeB-4xhbA:
1.44
1kqeD-4xhbA:
1.44
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.
1KQE_D_DVAD6_0
(MINI-GRAMICIDIN A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 TRP A 308
ALA A 241
VAL A 306
 None
 0.74A 1kqeB-4xhbA:
undetectable
1kqeD-4xhbA:
undetectable		 1kqeB-4xhbA:
1.44
1kqeD-4xhbA:
1.44
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.
1KQE_E_DVAE6_0
(MINI-GRAMICIDIN A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 TRP A 308
ALA A 241
VAL A 306
 None
 0.71A 1kqeA-4xhbA:
undetectable
1kqeE-4xhbA:
undetectable		 1kqeA-4xhbA:
1.44
1kqeE-4xhbA:
1.44
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.
1M4I_B_KANB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 9 ASP A 344
SER A 260
SER A 329
THR A 248
ASP A 262
 None
 1.41A 1m4iB-4xhbA:
undetectable		 1m4iB-4xhbA:
12.92
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.
1MEI_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 8 SER A  91
ILE A 183
GLU A 194
GLY A 195
 None
 0.93A 1meiA-4xhbA:
undetectable		 1meiA-4xhbA:
21.88
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.
1MIC_A_DVAA6_0
(GRAMICIDIN A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ALA A 241
VAL A 306
TRP A 308
 None
 0.87A 1micA-4xhbA:
undetectable
1micB-4xhbA:
undetectable		 1micA-4xhbA:
1.92
1micB-4xhbA:
1.92
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.
1NNC_A_ZMRA479_1
(NEURAMINIDASE N9)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.16A 1nncA-4xhbA:
9.1		 1nncA-4xhbA:
20.36
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.
1V3E_A_ZMRA1200_1
(HEMAGGLUTININ-NEURAM
INIDASE GLYCOPROTEIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 TYR A 489
TYR A 509
GLU A 541
ARG A 557
ARG A 619
 NHE  A 702 ( 4.1A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
 0.62A 1v3eA-4xhbA:
21.7		 1v3eA-4xhbA:
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.
1V3E_B_ZMRB2200_1
(HEMAGGLUTININ-NEURAM
INIDASE GLYCOPROTEIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 ARG A 245
TYR A 489
TYR A 509
GLU A 541
ARG A 557
 NHE  A 702 (-2.7A)
NHE  A 702 ( 4.1A)
None
None
NHE  A 702 (-2.8A)
 0.90A 1v3eB-4xhbA:
21.6		 1v3eB-4xhbA:
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.
1V3E_B_ZMRB2200_1
(HEMAGGLUTININ-NEURAM
INIDASE GLYCOPROTEIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 ARG A 245
TYR A 489
TYR A 509
GLU A 541
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 ( 4.1A)
None
None
NHE  A 702 (-4.8A)
 0.84A 1v3eB-4xhbA:
21.6		 1v3eB-4xhbA:
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.
1V3E_B_ZMRB2200_1
(HEMAGGLUTININ-NEURAM
INIDASE GLYCOPROTEIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 TYR A 489
TYR A 509
GLU A 541
ARG A 557
ARG A 619
 NHE  A 702 ( 4.1A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
 0.60A 1v3eB-4xhbA:
21.6		 1v3eB-4xhbA:
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.
2CML_A_ZMRA1477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.17A 2cmlA-4xhbA:
18.9		 2cmlA-4xhbA:
20.63
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.
2CML_A_ZMRA1477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.59A 2cmlA-4xhbA:
18.9		 2cmlA-4xhbA:
20.63
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.
2CML_B_ZMRB2477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.19A 2cmlB-4xhbA:
4.7		 2cmlB-4xhbA:
20.63
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.
2CML_B_ZMRB2477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.60A 2cmlB-4xhbA:
4.7		 2cmlB-4xhbA:
20.63
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.
2CML_C_ZMRC3477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.26A 2cmlC-4xhbA:
3.6		 2cmlC-4xhbA:
20.63
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.
2CML_C_ZMRC3477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.62A 2cmlC-4xhbA:
3.6		 2cmlC-4xhbA:
20.63
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.
2CML_D_ZMRD4477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.21A 2cmlD-4xhbA:
18.7		 2cmlD-4xhbA:
20.63
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.
2CML_D_ZMRD4477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.63A 2cmlD-4xhbA:
18.7		 2cmlD-4xhbA:
20.63
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.
2F0Z_A_ZMRA381_1
(SIALIDASE 2)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
TYR A 509
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.36A 2f0zA-4xhbA:
37.2		 2f0zA-4xhbA:
19.85
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.
2F10_A_BCZA382_0
(SIALIDASE 2)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		8 / 12 ARG A 245
ILE A 246
ARG A 264
TYR A 509
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.50A 2f10A-4xhbA:
36.7		 2f10A-4xhbA:
19.85
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.
2HTQ_A_ZMRA472_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.37A 2htqA-4xhbA:
12.5		 2htqA-4xhbA:
21.15
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.
2HTQ_A_ZMRA472_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.70A 2htqA-4xhbA:
12.5		 2htqA-4xhbA:
21.15
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ARG A 619
ASN A 683
THR A 268
 NHE  A 702 (-2.9A)
None
None
 0.73A 2q63A-4xhbA:
undetectable		 2q63A-4xhbA:
9.22
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.
2R2V_C_ACTC36_0
(GCN4 LEUCINE ZIPPER)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 HIS A 198
ALA A  86
GLU A 197
ALA A 190
TYR A 199
 None
 1.42A 2r2vC-4xhbA:
undetectable
2r2vF-4xhbA:
undetectable
2r2vG-4xhbA:
undetectable		 2r2vC-4xhbA:
4.84
2r2vF-4xhbA:
4.84
2r2vG-4xhbA:
4.84
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 4 ARG A 107
GLY A 110
GLU A 111
SER A 615
 None
 1.08A 2xctS-4xhbA:
undetectable
2xctU-4xhbA:
undetectable		 2xctS-4xhbA:
23.93
2xctU-4xhbA:
23.93
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.
2YA7_A_ZMRA1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 275
ARG A 619
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.9A)
 1.46A 2ya7A-4xhbA:
40.7		 2ya7A-4xhbA:
24.72
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.
2YA7_A_ZMRA1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		10 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 326
ASP A 327
ASP A 344
TYR A 509
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 ( 4.8A)
NHE  A 702 (-3.6A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.34A 2ya7A-4xhbA:
40.7		 2ya7A-4xhbA:
24.72
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.
2YA7_B_ZMRB1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 275
ARG A 619
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.9A)
 1.44A 2ya7B-4xhbA:
40.4		 2ya7B-4xhbA:
24.72
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.
2YA7_B_ZMRB1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		10 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 326
ASP A 327
ASP A 344
TYR A 509
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 ( 4.8A)
NHE  A 702 (-3.6A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.34A 2ya7B-4xhbA:
40.4		 2ya7B-4xhbA:
24.72
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.
2YA7_C_ZMRC1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 275
ARG A 619
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.9A)
 1.44A 2ya7C-4xhbA:
40.6		 2ya7C-4xhbA:
24.72
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.
2YA7_C_ZMRC1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		10 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 326
ASP A 327
ASP A 344
TYR A 509
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 ( 4.8A)
NHE  A 702 (-3.6A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.32A 2ya7C-4xhbA:
40.6		 2ya7C-4xhbA:
24.72
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.
2YA7_D_ZMRD1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 275
ARG A 619
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.9A)
 1.44A 2ya7D-4xhbA:
18.0		 2ya7D-4xhbA:
24.72
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.
2YA7_D_ZMRD1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		10 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 326
ASP A 327
ASP A 344
TYR A 509
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 ( 4.8A)
NHE  A 702 (-3.6A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.34A 2ya7D-4xhbA:
18.0		 2ya7D-4xhbA:
24.72
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 4 LEU A 514
GLN A 543
THR A 554
THR A 510
 None
 1.27A 2zj0D-4xhbA:
undetectable		 2zj0D-4xhbA:
21.11
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.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 8 LEU A 646
LYS A 136
GLY A 135
TYR A 649
 None
 0.91A 3af0A-4xhbA:
undetectable		 3af0A-4xhbA:
17.79
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.
3B7E_A_ZMRA1001_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.70A 3b7eA-4xhbA:
19.3		 3b7eA-4xhbA:
20.73
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.
3B7E_B_ZMRB1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.70A 3b7eB-4xhbA:
19.3		 3b7eB-4xhbA:
20.73
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.
3CKZ_A_ZMRA469_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.45A 3ckzA-4xhbA:
19.7		 3ckzA-4xhbA:
21.28
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.
3EM0_A_CHDA153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 5 ILE A 584
THR A 560
PHE A 535
PHE A 556
 None
 1.36A 3em0A-4xhbA:
undetectable		 3em0A-4xhbA:
14.24
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.
3IK6_B_HCZB262_1
(GLUTAMATE RECEPTOR 2)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 ILE A 350
SER A 322
SER A 273
LYS A 272
GLY A 349
 None
 1.29A 3ik6B-4xhbA:
undetectable
3ik6E-4xhbA:
undetectable		 3ik6B-4xhbA:
17.42
3ik6E-4xhbA:
17.42
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.
3IK6_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 ILE A 350
SER A 322
SER A 273
LYS A 272
GLY A 349
 None
 1.24A 3ik6B-4xhbA:
undetectable
3ik6E-4xhbA:
undetectable		 3ik6B-4xhbA:
17.42
3ik6E-4xhbA:
17.42
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.
3ILU_E_HFZE800_1
(GLUTAMATE RECEPTOR 2)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 11 ILE A 350
SER A 322
SER A 273
LYS A 272
GLY A 349
 None
 1.21A 3iluB-4xhbA:
undetectable
3iluE-4xhbA:
undetectable		 3iluB-4xhbA:
17.42
3iluE-4xhbA:
17.42
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
 0.68A 3k37B-4xhbA:
22.5		 3k37B-4xhbA:
20.27
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.
3K39_B_BCZB1001_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-4.8A)
 0.56A 3k39B-4xhbA:
22.6		 3k39B-4xhbA:
20.27
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.
3K39_N_BCZN1001_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.26A 3k39N-4xhbA:
22.6		 3k39N-4xhbA:
20.27
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.
3K39_P_BCZP1001_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.27A 3k39P-4xhbA:
22.5		 3k39P-4xhbA:
20.27
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.
3KPD_C_SAMC1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ILE A 223
THR A 222
VAL A  73
ILE A 215
SER A 216
 None
 0.95A 3kpdC-4xhbA:
undetectable		 3kpdC-4xhbA:
11.05
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.
3PGL_A_RZXA257_1
(CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 1)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 7 PHE A 102
VAL A 114
ILE A 104
TYR A 157
 None
 0.90A 3pglA-4xhbA:
undetectable		 3pglA-4xhbA:
14.05
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 11 ILE A 208
PHE A  88
SER A 150
ILE A 177
LEU A 210
 None
 1.33A 3qg2B-4xhbA:
undetectable		 3qg2B-4xhbA:
22.52
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 THR A 158
ASP A 217
GLU A 219
 None
 0.80A 3qowA-4xhbA:
undetectable		 3qowA-4xhbA:
20.09
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.
3SAN_A_ZMRA901_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.29A 3sanA-4xhbA:
19.8		 3sanA-4xhbA:
21.03
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.
3SAN_B_ZMRB901_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.16A 3sanB-4xhbA:
4.8		 3sanB-4xhbA:
21.03
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.
3SAN_B_ZMRB901_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.46A 3sanB-4xhbA:
4.8		 3sanB-4xhbA:
21.03
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.
3TI5_A_ZMRA1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.65A 3ti5A-4xhbA:
12.2		 3ti5A-4xhbA:
21.60
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.
3TI5_B_ZMRB1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.66A 3ti5B-4xhbA:
10.3		 3ti5B-4xhbA:
21.60
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.
3TIC_A_ZMRA1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.19A 3ticA-4xhbA:
7.9		 3ticA-4xhbA:
22.29
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.
3TIC_A_ZMRA1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.58A 3ticA-4xhbA:
7.9		 3ticA-4xhbA:
22.29
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.
3TIC_B_ZMRB1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.18A 3ticB-4xhbA:
19.2		 3ticB-4xhbA:
22.29
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.
3TIC_B_ZMRB1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.62A 3ticB-4xhbA:
19.2		 3ticB-4xhbA:
22.29
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.
3TIC_C_ZMRC1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.28A 3ticC-4xhbA:
19.2		 3ticC-4xhbA:
22.29
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.
3TIC_C_ZMRC1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.59A 3ticC-4xhbA:
19.2		 3ticC-4xhbA:
22.29
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.
3TIC_D_ZMRD1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.18A 3ticD-4xhbA:
19.3		 3ticD-4xhbA:
22.29
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.
3TIC_D_ZMRD1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.60A 3ticD-4xhbA:
19.3		 3ticD-4xhbA:
22.29
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.
4B7N_A_ZMRA601_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.68A 4b7nA-4xhbA:
19.6		 4b7nA-4xhbA:
22.02
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.
4B7Q_A_ZMRA601_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.75A 4b7qA-4xhbA:
4.3		 4b7qA-4xhbA:
22.17
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.
4B7Q_B_ZMRB601_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.71A 4b7qB-4xhbA:
9.7		 4b7qB-4xhbA:
22.17
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.
4B7Q_C_ZMRC601_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.67A 4b7qC-4xhbA:
6.6		 4b7qC-4xhbA:
22.17
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.
4B7Q_D_ZMRD601_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.74A 4b7qD-4xhbA:
12.4		 4b7qD-4xhbA:
22.17
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.
4C8B_A_0LIA1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 5 VAL A 453
ILE A 275
TYR A 408
ILE A 326
 None
None
None
NHE  A 702 ( 4.8A)
 0.90A 4c8bA-4xhbA:
undetectable		 4c8bA-4xhbA:
17.17
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.
4CPN_A_ZMRA700_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.25A 4cpnA-4xhbA:
22.6		 4cpnA-4xhbA:
21.67
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.
4CPN_A_ZMRA700_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.69A 4cpnA-4xhbA:
22.6		 4cpnA-4xhbA:
21.67
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.
4CPN_B_ZMRB700_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.21A 4cpnB-4xhbA:
22.6		 4cpnB-4xhbA:
21.67
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.
4CPN_B_ZMRB700_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.69A 4cpnB-4xhbA:
22.6		 4cpnB-4xhbA:
21.67
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.
4CPZ_A_ZMRA1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.31A 4cpzA-4xhbA:
22.6		 4cpzA-4xhbA:
21.67
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.
4CPZ_A_ZMRA1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.46A 4cpzA-4xhbA:
22.6		 4cpzA-4xhbA:
21.67
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.
4CPZ_B_ZMRB1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.25A 4cpzB-4xhbA:
22.5		 4cpzB-4xhbA:
21.67
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.
4CPZ_B_ZMRB1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.43A 4cpzB-4xhbA:
22.5		 4cpzB-4xhbA:
21.67
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.
4CPZ_C_ZMRC1470_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.67A 4cpzC-4xhbA:
22.6		 4cpzC-4xhbA:
21.67
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.
4CPZ_D_ZMRD1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.24A 4cpzD-4xhbA:
22.6		 4cpzD-4xhbA:
21.67
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.
4CPZ_D_ZMRD1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.37A 4cpzD-4xhbA:
22.6		 4cpzD-4xhbA:
21.67
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.
4CPZ_E_ZMRE1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.28A 4cpzE-4xhbA:
22.5		 4cpzE-4xhbA:
21.67
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.
4CPZ_E_ZMRE1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.71A 4cpzE-4xhbA:
22.5		 4cpzE-4xhbA:
21.67
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.
4CPZ_F_ZMRF1470_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.31A 4cpzF-4xhbA:
22.5		 4cpzF-4xhbA:
21.67
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.
4CPZ_F_ZMRF1470_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.72A 4cpzF-4xhbA:
22.5		 4cpzF-4xhbA:
21.67
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.
4CPZ_G_ZMRG1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.30A 4cpzG-4xhbA:
22.7		 4cpzG-4xhbA:
21.67
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.
4CPZ_G_ZMRG1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.63A 4cpzG-4xhbA:
22.7		 4cpzG-4xhbA:
21.67
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.
4CPZ_H_ZMRH1470_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.40A 4cpzH-4xhbA:
22.6		 4cpzH-4xhbA:
21.67
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.
4CPZ_H_ZMRH1470_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.70A 4cpzH-4xhbA:
22.6		 4cpzH-4xhbA:
21.67
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.
4FGZ_B_CQAB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 8 GLY A 110
GLY A 650
GLU A 678
VAL A 684
 None
 0.81A 4fgzB-4xhbA:
undetectable		 4fgzB-4xhbA:
19.31
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.
4I00_A_ZMRA509_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ALA A 538
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.22A 4i00A-4xhbA:
19.2		 4i00A-4xhbA:
20.61
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.
4I00_A_ZMRA509_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.61A 4i00A-4xhbA:
19.2		 4i00A-4xhbA:
20.61
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.
4IIL_A_RBFA401_2
(MEMBRANE LIPOPROTEIN
TPN38(B))		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 8 VAL A 625
PRO A 613
GLN A 585
ILE A 581
 None
 1.06A 4iilA-4xhbA:
undetectable		 4iilA-4xhbA:
20.43
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.
4KTV_A_ADNA403_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 SER A 271
SER A 324
ILE A 277
ASP A 262
ILE A 275
 None
 1.31A 4ktvA-4xhbA:
undetectable
4ktvB-4xhbA:
undetectable		 4ktvA-4xhbA:
20.44
4ktvB-4xhbA:
20.44
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 PRO A  81
ALA A 141
ILE A 104
LEU A  50
LEU A 188
GLY A  89
 None
 1.40A 4l9qB-4xhbA:
undetectable		 4l9qB-4xhbA:
20.39
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.
4MWR_A_ZMRA513_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.15A 4mwrA-4xhbA:
8.4		 4mwrA-4xhbA:
20.42
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.
4MWX_A_ZMRA513_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.05A 4mwxA-4xhbA:
18.7		 4mwxA-4xhbA:
20.42
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.
4MWX_A_ZMRA513_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.62A 4mwxA-4xhbA:
18.7		 4mwxA-4xhbA:
20.42
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.
4MX0_A_BCZA513_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ARG A 245
ASP A 270
ARG A 619
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
NHE  A 702 (-2.9A)
 0.54A 4mx0A-4xhbA:
6.9		 4mx0A-4xhbA:
20.42
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.
4NJT_D_017D101_1
(PROTEASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 11 ALA A 343
ILE A 246
GLY A 493
THR A 279
ILE A 277
 None
 0.95A 4njtC-4xhbA:
undetectable		 4njtC-4xhbA:
8.90
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.
4WA5_A_ZMRA501_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.23A 4wa5A-4xhbA:
13.2		 4wa5A-4xhbA:
22.99
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.
4WA5_A_ZMRA501_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.79A 4wa5A-4xhbA:
13.2		 4wa5A-4xhbA:
22.99
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.
5A7M_A_ACTA1923_0
(BETA-XYLOSIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ASP A 672
ARG A 619
TYR A 671
 None
NHE  A 702 (-2.9A)
None
 1.00A 5a7mA-4xhbA:
undetectable		 5a7mA-4xhbA:
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.
5A7M_B_ACTB1924_0
(BETA-XYLOSIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ASP A 672
ARG A 619
TYR A 671
 None
NHE  A 702 (-2.9A)
None
 0.98A 5a7mB-4xhbA:
undetectable		 5a7mB-4xhbA:
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.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 THR A 158
ASP A 217
GLU A 219
 None
 0.82A 5fa8A-4xhbA:
undetectable		 5fa8A-4xhbA:
12.67
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.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 GLY A 627
ALA A 595
VAL A 608
ASP A 637
ILE A 636
 None
 1.19A 5i3cB-4xhbA:
undetectable		 5i3cB-4xhbA:
16.03
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 LEU A 659
TYR A 687
SER A 282
 None
 0.88A 5iktA-4xhbA:
undetectable		 5iktA-4xhbA:
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.
5L17_A_ZMRA512_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.15A 5l17A-4xhbA:
18.9		 5l17A-4xhbA:
20.81
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.
5L17_A_ZMRA512_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.60A 5l17A-4xhbA:
18.9		 5l17A-4xhbA:
20.81
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ILE A  55
GLY A  45
LEU A 210
PHE A 102
MET A  74
 None
 1.29A 5v5zA-4xhbA:
undetectable		 5v5zA-4xhbA:
23.28
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 7 GLN A 318
GLY A 266
GLN A 421
ASP A 262
 None
 1.04A 5vlmE-4xhbA:
undetectable		 5vlmE-4xhbA:
15.33
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.
5X7P_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 6 SER A 654
ARG A 245
GLU A 669
TYR A 653
 None
NHE  A 702 (-2.7A)
None
NHE  A 702 (-4.8A)
 1.16A 5x7pA-4xhbA:
undetectable		 5x7pA-4xhbA:
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.
5X7P_B_ACRB1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 6 SER A 654
ARG A 245
GLU A 669
TYR A 653
 None
NHE  A 702 (-2.7A)
None
NHE  A 702 (-4.8A)
 1.21A 5x7pB-4xhbA:
4.4		 5x7pB-4xhbA:
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.
5X7Q_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 6 SER A 654
ARG A 245
GLU A 669
TYR A 653
 None
NHE  A 702 (-2.7A)
None
NHE  A 702 (-4.8A)
 1.19A 5x7qA-4xhbA:
4.3		 5x7qA-4xhbA:
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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 595
PHE A 506
ALA A 295
THR A 279
LEU A 258
 None
 1.27A 6aycA-4xhbA:
undetectable		 6aycA-4xhbA:
9.42
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.
6DJ2_B_AB1B201_0
(HIV-1 PROTEASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 ALA A 343
ASP A 344
ILE A 246
GLY A 493
ILE A 277
 None
 1.00A 6dj2A-4xhbA:
undetectable		 6dj2A-4xhbA:
8.69
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.
6EKU_A_ZMRA901_1
(SIALIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		7 / 12 ARG A 245
ILE A 246
ARG A 264
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.43A 6ekuA-4xhbA:
21.0		 6ekuA-4xhbA:
24.44
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.
6EKU_A_ZMRA901_1
(SIALIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		7 / 12 ARG A 245
ILE A 246
ASP A 327
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-3.6A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.69A 6ekuA-4xhbA:
21.0		 6ekuA-4xhbA:
24.44
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.
6HCX_A_ZMRA519_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ALA A 538
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.15A 6hcxA-4xhbA:
8.2		 6hcxA-4xhbA:
9.49
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.
6HCX_A_ZMRA519_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ASP A 270
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.63A 6hcxA-4xhbA:
8.2		 6hcxA-4xhbA:
9.49
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 7 GLY A 437
HIS A 435
VAL A 419
SER A 423
 None
 0.99A 6hu9S-4xhbA:
undetectable
6hu9q-4xhbA:
undetectable		 6hu9S-4xhbA:
8.98
6hu9q-4xhbA:
11.23