SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1xp4'

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.
1EPB_B_9CRB165_1
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 12 ILE A 205
VAL A  63
LEU A  60
ILE A 196
ILE A 262
 None
 1.01A 1epbB-1xp4A:
undetectable		 1epbB-1xp4A:
19.20
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.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 9 VAL A 108
LEU A 112
ILE A 131
ALA A  69
LEU A  70
 None
None
None
None
IOD  A 471 ( 4.6A)
 1.15A 1eqgA-1xp4A:
undetectable		 1eqgA-1xp4A:
19.18
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 ALA A  55
SER A  56
LYS A  59
SER A 119
ASN A 121
LYS A 239
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.01A 1ghmA-1xp4A:
20.7		 1ghmA-1xp4A:
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 ALA A  55
SER A  56
LYS A  59
SER A 119
ASN A 121
THR A 221
LYS A 239
GLY A 241
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
 0.40A 1i2wA-1xp4A:
21.0		 1i2wA-1xp4A:
24.36
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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 ALA A  55
SER A  56
LYS A  59
SER A 119
ASN A 121
THR A 221
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.07A 1i2wB-1xp4A:
21.0		 1i2wB-1xp4A:
24.36
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.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 SER A  56
LYS A  59
SER A 119
ASN A 121
THR A 221
LYS A 239
GLY A 241
ASP A 244
 SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
None
 0.86A 1ymxA-1xp4A:
20.8		 1ymxA-1xp4A:
22.19
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 SER A  56
LYS A  59
SER A 119
ASN A 121
LYS A 239
GLY A 241
ASP A 244
 SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
None
 0.81A 1ymxB-1xp4A:
20.7		 1ymxB-1xp4A:
22.19
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.
2GL0_C_ADNC903_1
(CONSERVED
HYPOTHETICAL PROTEIN)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 12 ASN A 158
ILE A  54
THR A 160
ASN A 121
SER A  97
 None
None
None
None
SO4  A 464 ( 3.9A)
 1.28A 2gl0A-1xp4A:
undetectable
2gl0C-1xp4A:
undetectable		 2gl0A-1xp4A:
21.00
2gl0C-1xp4A:
21.00
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.
2GVC_E_MMZE501_1
(MONOOXYGENASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		3 / 3 ASN A  98
TYR A  86
SER A  94
 None
 0.93A 2gvcE-1xp4A:
undetectable		 2gvcE-1xp4A:
21.21
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.
2M2O_B_DHIB24_0
(INSULIN B CHAIN)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		4 / 6 GLY A 252
PHE A 235
LYS A 207
THR A 206
 None
 1.19A 2m2oB-1xp4A:
undetectable		 2m2oB-1xp4A:
8.44
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.
3BJW_F_SVRF509_1
(PHOSPHOLIPASE A2)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		4 / 5 VAL A 251
VAL A 264
THR A  58
THR A 253
 None
 1.15A 3bjwC-1xp4A:
undetectable		 3bjwC-1xp4A:
14.51
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.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		3 / 3 LEU A  60
LEU A 195
ARG A 260
 None
 0.64A 3hcnB-1xp4A:
undetectable		 3hcnB-1xp4A:
25.23
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 LYS A  59
SER A 119
ASN A 121
THR A 221
LYS A 239
GLY A 241
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
 0.42A 3hlwA-1xp4A:
20.7		 3hlwA-1xp4A:
22.19
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 SER A 119
ASN A 121
THR A 221
LYS A 239
THR A 240
GLY A 241
 SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
 0.40A 3hlwB-1xp4A:
20.7		 3hlwB-1xp4A:
22.19
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 LYS A  59
ASN A 121
LYS A 239
THR A 240
GLY A 241
ASP A 244
 None
None
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
None
 0.84A 3huoA-1xp4A:
20.8		 3huoA-1xp4A:
22.19
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 12 LYS A  59
ASN A 121
LYS A 239
GLY A 241
ASP A 244
 None
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
None
 0.89A 3huoB-1xp4A:
20.8		 3huoB-1xp4A:
22.19
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.
3LP9_D_SPMD230_1
(LS-24)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		3 / 3 GLU A 135
GLU A 179
ASN A 164
 None
 0.83A 3lp9B-1xp4A:
undetectable
3lp9D-1xp4A:
undetectable		 3lp9B-1xp4A:
19.79
3lp9D-1xp4A:
19.79
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.
3LSL_D_PZID800_0
(GLUTAMATE RECEPTOR 2)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		4 / 7 SER A 175
TYR A  86
ASN A 164
LEU A 167
 None
 1.11A 3lslA-1xp4A:
undetectable
3lslD-1xp4A:
undetectable		 3lslA-1xp4A:
21.76
3lslD-1xp4A:
21.76
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		9 / 12 ALA A  55
SER A  56
LYS A  59
ASN A 121
LEU A 162
THR A 240
GLY A 241
THR A 243
ARG A 278
 None
SO4  A 464 (-3.4A)
None
None
None
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
None
SO4  A 464 ( 4.1A)
 0.73A 3mzeA-1xp4A:
36.0		 3mzeA-1xp4A:
26.67
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.
3NDW_A_RITA100_2
(PROTEASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 9 ARG A 193
ALA A  48
ASP A  47
VAL A  35
ILE A  33
 None
IOD  A 468 ( 4.2A)
None
None
None
 1.08A 3ndwB-1xp4A:
undetectable		 3ndwB-1xp4A:
12.73
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		9 / 12 SER A  56
SER A 119
THR A 221
ARG A 278
LYS A 239
THR A 240
GLY A 241
THR A 242
ASP A 244
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.0A)
SO4  A 464 ( 4.1A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 0.83A 3ny4A-1xp4A:
20.3		 3ny4A-1xp4A:
20.47
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 THR A 221
LYS A 239
THR A 240
GLY A 241
THR A 242
GLY A 247
 SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 1.26A 3ny4A-1xp4A:
20.3		 3ny4A-1xp4A:
20.47
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.
3OKX_B_SAMB201_0
(YAEB-LIKE PROTEIN
RPA0152)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		3 / 3 LYS A 257
ARG A 232
LYS A  25
 None
 1.34A 3okxA-1xp4A:
undetectable		 3okxA-1xp4A:
18.55
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 LYS A  59
SER A 119
ASN A 121
LYS A 239
GLY A 241
ASP A 244
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
None
 0.80A 3q07A-1xp4A:
20.7		 3q07A-1xp4A:
22.19
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 LYS A  59
SER A 119
ASN A 121
LYS A 239
GLY A 241
ASP A 244
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
None
 0.80A 3q07B-1xp4A:
20.8		 3q07B-1xp4A:
22.19
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 ALA A  55
SER A  56
SER A 119
ASN A 121
LYS A 239
THR A 240
GLY A 241
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
 0.39A 3sh8A-1xp4A:
21.1		 3sh8A-1xp4A:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 ALA A  55
SER A  56
SER A 119
LYS A 239
THR A 240
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.00A 3sh8A-1xp4A:
21.1		 3sh8A-1xp4A:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 ALA A  55
SER A  56
LYS A  59
SER A 119
ASN A 121
LYS A 239
GLY A 241
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
 0.44A 3sh8B-1xp4A:
21.2		 3sh8B-1xp4A:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 ALA A  55
SER A  56
LYS A  59
SER A 119
LYS A 239
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.05A 3sh8B-1xp4A:
21.2		 3sh8B-1xp4A:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UG8_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		3 / 3 TYR A 106
GLU A 129
TYR A  86
 None
 0.78A 3ug8A-1xp4A:
undetectable		 3ug8A-1xp4A:
21.62
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.
4AN2_A_EUIA1382_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		4 / 4 ASN A 163
SER A 122
LEU A  90
THR A 243
 None
 1.22A 4an2A-1xp4A:
undetectable		 4an2A-1xp4A:
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 LYS A  59
SER A 119
ASN A 121
THR A 221
LYS A 239
THR A 240
GLY A 241
THR A 242
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
 0.53A 4euzA-1xp4A:
20.5		 4euzA-1xp4A:
23.48
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 SER A 119
ASN A 121
LEU A 162
THR A 221
THR A 240
GLY A 241
THR A 242
 SO4  A 464 (-3.4A)
None
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
 0.64A 4euzA-1xp4A:
20.5		 4euzA-1xp4A:
23.48
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.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 10 SER A 119
ASN A 121
LYS A 239
THR A 240
GLY A 241
ALA A  55
 SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
None
 1.43A 4fh2A-1xp4A:
21.7		 4fh2A-1xp4A:
22.68
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.
4FWD_A_BO2A801_1
(TTC1975 PEPTIDASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 9 VAL A 264
VAL A 265
VAL A  52
ILE A  54
GLY A 241
 None
None
None
None
SO4  A 464 ( 3.8A)
 1.09A 4fwdA-1xp4A:
undetectable		 4fwdA-1xp4A:
20.14
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 ALA A  55
SER A  56
SER A 119
ASN A 121
LYS A 239
THR A 240
GLY A 241
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
 0.38A 4n9kA-1xp4A:
21.2		 4n9kA-1xp4A:
24.23
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 ALA A  55
SER A  56
SER A 119
LYS A 239
THR A 240
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.01A 4n9kA-1xp4A:
21.2		 4n9kA-1xp4A:
24.23
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 ALA A  55
SER A  56
SER A 119
ASN A 121
LYS A 239
THR A 240
GLY A 241
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
 0.40A 4n9kB-1xp4A:
21.2		 4n9kB-1xp4A:
24.23
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 ALA A  55
SER A  56
SER A 119
LYS A 239
THR A 240
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.02A 4n9kB-1xp4A:
21.2		 4n9kB-1xp4A:
24.23
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 12 LYS A  59
ASN A 121
THR A 221
LYS A 239
GLY A 241
 None
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
 0.47A 4pm7A-1xp4A:
20.6		 4pm7A-1xp4A:
22.45
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.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 12 ASN A 121
THR A 221
LYS A 239
THR A 240
GLY A 241
 None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
 0.42A 4pm9A-1xp4A:
20.6		 4pm9A-1xp4A:
25.27
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.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 12 TYR A  86
SER A  84
THR A 160
ALA A 124
ALA A 128
 None
 1.37A 4u15B-1xp4A:
undetectable		 4u15B-1xp4A:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 12 TYR A  86
SER A  84
THR A 160
THR A 159
ALA A 128
 None
 1.38A 4u15B-1xp4A:
undetectable		 4u15B-1xp4A:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YB6_A_HISA302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 10 GLY A 252
THR A 206
VAL A 251
LEU A 203
LEU A  60
 None
 1.24A 4yb6A-1xp4A:
undetectable
4yb6E-1xp4A:
undetectable		 4yb6A-1xp4A:
22.47
4yb6E-1xp4A:
22.47
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.
4YB6_B_HISB302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 10 GLY A 252
THR A 206
VAL A 251
LEU A 203
LEU A  60
 None
 1.25A 4yb6B-1xp4A:
undetectable
4yb6C-1xp4A:
undetectable		 4yb6B-1xp4A:
22.47
4yb6C-1xp4A:
22.47
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.
4YB6_C_HISC302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 10 GLY A 252
THR A 206
VAL A 251
LEU A 203
LEU A  60
 None
 1.25A 4yb6C-1xp4A:
undetectable
4yb6F-1xp4A:
undetectable		 4yb6C-1xp4A:
22.47
4yb6F-1xp4A:
22.47
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.
4YB6_D_HISD302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 10 LEU A 203
LEU A  60
GLY A 252
THR A 206
VAL A 251
 None
 1.25A 4yb6A-1xp4A:
undetectable
4yb6D-1xp4A:
undetectable		 4yb6A-1xp4A:
22.47
4yb6D-1xp4A:
22.47
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.
4ZBR_A_DIFA601_1
(SERUM ALBUMIN)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 9 ASP A 269
ALA A 268
VAL A 265
ARG A 278
LYS A  30
 None
None
None
SO4  A 464 ( 4.1A)
None
 1.44A 4zbrA-1xp4A:
0.5		 4zbrA-1xp4A:
20.93
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.
5DSG_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 12 TYR A  86
LEU A 167
THR A 160
ALA A 124
ASN A  98
 None
 1.30A 5dsgB-1xp4A:
undetectable		 5dsgB-1xp4A:
22.91
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 ALA A  55
SER A  56
SER A 119
ASN A 121
LYS A 239
GLY A 241
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
 0.41A 5ghyA-1xp4A:
21.0		 5ghyA-1xp4A:
24.23
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 ALA A  55
SER A  56
SER A 119
LYS A 239
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.04A 5ghyA-1xp4A:
21.0		 5ghyA-1xp4A:
24.23
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 ALA A  55
SER A  56
SER A 119
ASN A 121
LYS A 239
GLY A 241
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
 0.39A 5ghyB-1xp4A:
21.0		 5ghyB-1xp4A:
24.23
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 ALA A  55
SER A  56
SER A 119
LYS A 239
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.04A 5ghyB-1xp4A:
21.0		 5ghyB-1xp4A:
24.23
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 11 ALA A  55
SER A  56
SER A 119
ASN A 121
LYS A 239
THR A 240
GLY A 241
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
 0.39A 5ghzA-1xp4A:
21.0		 5ghzA-1xp4A:
24.23
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 11 ALA A  55
SER A  56
SER A 119
LYS A 239
THR A 240
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.01A 5ghzA-1xp4A:
21.0		 5ghzA-1xp4A:
24.23
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 10 ALA A  55
SER A  56
SER A 119
ASN A 121
LYS A 239
THR A 240
GLY A 241
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
 0.39A 5ghzB-1xp4A:
21.0		 5ghzB-1xp4A:
24.23
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 10 ALA A  55
SER A  56
SER A 119
LYS A 239
THR A 240
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.01A 5ghzB-1xp4A:
21.0		 5ghzB-1xp4A:
24.23
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.
5IEN_B_VDYB201_2
(CDL2.2)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 12 LEU A  90
ILE A  99
GLU A 135
THR A 159
ALA A 124
 None
 1.22A 5ienB-1xp4A:
undetectable		 5ienB-1xp4A:
18.16
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.
5N0X_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		3 / 3 SER A  97
ALA A  96
THR A 166
 SO4  A 464 ( 3.9A)
None
None
 0.47A 5n0xB-1xp4A:
undetectable		 5n0xB-1xp4A:
24.00
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		9 / 12 SER A  56
SER A 119
THR A 221
ARG A 278
LYS A 239
THR A 240
GLY A 241
THR A 242
ASP A 244
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.0A)
SO4  A 464 ( 4.1A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 0.66A 6b5yB-1xp4A:
14.0		 6b5yB-1xp4A:
13.98
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 SER A  56
SER A 119
THR A 221
LYS A 239
THR A 240
GLY A 241
THR A 242
ASP A 244
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 0.71A 6b5yD-1xp4A:
20.4		 6b5yD-1xp4A:
13.98
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 THR A 221
LYS A 239
THR A 240
GLY A 241
THR A 242
GLY A 247
 SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 1.28A 6b5yD-1xp4A:
20.4		 6b5yD-1xp4A:
13.98
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 SER A  56
SER A 119
THR A 221
LYS A 239
THR A 240
GLY A 241
THR A 242
ASP A 244
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 0.61A 6b68B-1xp4A:
20.5		 6b68B-1xp4A:
13.98
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 THR A 221
LYS A 239
THR A 240
GLY A 241
THR A 242
GLY A 247
 SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 1.33A 6b68B-1xp4A:
20.5		 6b68B-1xp4A:
13.98
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 SER A  56
SER A 119
THR A 221
ARG A 278
LYS A 239
GLY A 241
THR A 242
ASP A 244
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.0A)
SO4  A 464 ( 4.1A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 0.62A 6b68D-1xp4A:
20.5		 6b68D-1xp4A:
13.98
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 SER A  56
SER A 119
THR A 221
LYS A 239
THR A 240
GLY A 241
THR A 242
ASP A 244
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 0.64A 6b69A-1xp4A:
20.5
6b69B-1xp4A:
20.5		 6b69A-1xp4A:
13.98
6b69B-1xp4A:
13.98
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 THR A 221
LYS A 239
THR A 240
GLY A 241
THR A 242
GLY A 247
 SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 1.33A 6b69A-1xp4A:
20.5
6b69B-1xp4A:
20.5		 6b69A-1xp4A:
13.98
6b69B-1xp4A:
13.98
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 SER A  56
SER A 119
THR A 221
ARG A 278
LYS A 239
THR A 240
GLY A 241
THR A 242
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.0A)
SO4  A 464 ( 4.1A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
 0.39A 6b69D-1xp4A:
14.1		 6b69D-1xp4A:
13.98
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		9 / 12 SER A  56
SER A 119
THR A 221
ARG A 278
LYS A 239
THR A 240
GLY A 241
THR A 242
ASP A 244
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.0A)
SO4  A 464 ( 4.1A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 0.64A 6b6aB-1xp4A:
20.5		 6b6aB-1xp4A:
13.98
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 THR A 221
ARG A 278
LYS A 239
THR A 240
GLY A 241
THR A 242
GLY A 247
 SO4  A 464 ( 4.0A)
SO4  A 464 ( 4.1A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 1.31A 6b6aB-1xp4A:
20.5		 6b6aB-1xp4A:
13.98
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 SER A  56
SER A 119
ARG A 278
LYS A 239
THR A 240
GLY A 241
THR A 242
ASP A 244
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.1A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 0.67A 6b6aD-1xp4A:
20.5		 6b6aD-1xp4A:
13.98
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 SER A  56
SER A 119
ARG A 278
LYS A 239
THR A 240
GLY A 241
THR A 242
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.1A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
 0.42A 6b6cA-1xp4A:
20.5		 6b6cA-1xp4A:
13.98
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 SER A  56
SER A 119
LYS A 239
THR A 240
GLY A 241
THR A 242
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
 0.69A 6b6dA-1xp4A:
20.3		 6b6dA-1xp4A:
13.98
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 SER A  56
THR A 221
LYS A 239
THR A 240
GLY A 241
THR A 242
 SO4  A 464 (-3.4A)
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
 0.42A 6b6dA-1xp4A:
20.3		 6b6dA-1xp4A:
13.98
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		8 / 12 SER A  56
SER A 119
THR A 221
ARG A 278
LYS A 239
THR A 240
GLY A 241
THR A 242
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.0A)
SO4  A 464 ( 4.1A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
 0.48A 6b6eA-1xp4A:
20.4		 6b6eA-1xp4A:
13.98
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		6 / 12 THR A 221
LYS A 239
THR A 240
GLY A 241
THR A 242
GLY A 247
 SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 1.33A 6b6eA-1xp4A:
20.4		 6b6eA-1xp4A:
13.98
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		7 / 12 SER A  56
SER A 119
LYS A 239
THR A 240
GLY A 241
THR A 242
ASP A 244
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
None
 0.70A 6b6fA-1xp4A:
19.0		 6b6fA-1xp4A:
13.98
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
(Streptococcus
pneumoniae) 		5 / 12 SER A 119
ASN A 121
THR A 221
LYS A 239
GLY A 241
 SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
 0.35A 6c79A-1xp4A:
20.8		 6c79A-1xp4A:
12.94