SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3hum'

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.
1DVX_B_DIFB125_1
(TRANSTHYRETIN)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 7 LEU A 112
ALA A 142
LEU A 115
SER A 116
 None
None
None
CEW  A 501 (-3.1A)
 1.07A 1dvxA-3humA:
undetectable		 1dvxA-3humA:
12.36
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.
1E7A_A_PFLA4002_1
(SERUM ALBUMIN)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		3 / 3 PHE A 369
LEU A 213
SER A  56
 None
 0.88A 1e7aA-3humA:
undetectable		 1e7aA-3humA:
19.17
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 12 ALA A  74
SER A  75
LYS A  78
SER A 139
ASN A 141
LYS A 259
GLY A 261
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
 0.63A 1ghmA-3humA:
22.2		 1ghmA-3humA:
22.81
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 12 ALA A  74
SER A  75
LYS A  78
SER A 139
ASN A 141
LYS A 259
GLY A 261
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
 0.56A 1i2wA-3humA:
22.7		 1i2wA-3humA:
21.02
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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 ALA A  74
SER A  75
LYS A  78
SER A 139
ASN A 141
GLY A 261
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
CEW  A 501 (-3.4A)
None
CEW  A 501 (-3.1A)
 0.55A 1i2wB-3humA:
22.8		 1i2wB-3humA:
21.02
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.
1MCN_P_DHIP1_0
(IMMUNOGLOBULIN
LAMBDA DIMER MCG
(LIGHT CHAIN)
PEPTIDE
N-ACETYL-D-HIS-L-PRO
-NH2)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		3 / 3 PHE A 369
TYR A 365
PRO A 376
 None
 1.09A 1mcnA-3humA:
undetectable
1mcnB-3humA:
undetectable
1mcnP-3humA:
undetectable		 1mcnA-3humA:
21.48
1mcnB-3humA:
21.48
1mcnP-3humA:
0.47
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.
1TT6_B_DESB128_1
(TRANSTHYRETIN)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 5 LEU A 112
ALA A 142
LEU A 115
SER A 116
 None
None
None
CEW  A 501 (-3.1A)
 1.15A 1tt6B-3humA:
undetectable		 1tt6B-3humA:
12.56
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 12 SER A  75
LYS A  78
SER A 139
ASN A 141
LYS A 259
GLY A 261
ASP A 264
 CEW  A 501 (-2.6A)
None
CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
 0.91A 1ymxA-3humA:
22.5		 1ymxA-3humA:
22.25
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 12 SER A  75
LYS A  78
SER A 139
ASN A 141
LYS A 259
GLY A 261
ASP A 264
 CEW  A 501 (-2.6A)
None
CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
 0.91A 1ymxB-3humA:
22.3		 1ymxB-3humA:
22.25
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 12 SER A  75
LYS A  78
SER A 139
LYS A 259
GLY A 261
SER A 262
ASP A 264
 CEW  A 501 (-2.6A)
None
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
CEW  A 501 (-2.9A)
None
 0.70A 1ymxB-3humA:
22.3		 1ymxB-3humA:
22.25
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		5 / 11 GLU A 309
GLY A 254
THR A 255
GLU A 246
GLY A 247
 None
 1.40A 2fn1A-3humA:
undetectable		 2fn1A-3humA:
23.75
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		5 / 11 GLU A 309
GLY A 254
THR A 255
GLU A 246
GLY A 247
 None
 1.41A 2fn1B-3humA:
undetectable		 2fn1B-3humA:
23.75
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.
2WEK_A_DIFA1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 8 ASN A 184
SER A 185
VAL A 177
ASN A  72
 None
 1.16A 2wekA-3humA:
undetectable		 2wekA-3humA:
21.65
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.
2WEK_B_DIFB1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 8 ASN A 184
SER A 185
VAL A 177
ASN A  72
 None
 1.10A 2wekB-3humA:
undetectable		 2wekB-3humA:
21.65
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 6 HIS A 214
ALA A 168
ALA A 166
THR A 174
 None
 1.07A 2xfhA-3humA:
undetectable		 2xfhA-3humA:
19.13
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 LYS A  78
ASN A 141
LYS A 259
THR A 260
GLY A 261
ASP A 264
 None
None
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
None
 0.95A 3huoA-3humA:
22.5		 3huoA-3humA:
22.05
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		5 / 12 LYS A 259
THR A 260
GLY A 261
SER A 262
ASP A 264
 CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 (-2.9A)
None
 0.64A 3huoA-3humA:
22.5		 3huoA-3humA:
22.05
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		5 / 12 LYS A  78
ASN A 141
LYS A 259
GLY A 261
ASP A 264
 None
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
 0.95A 3huoB-3humA:
22.3		 3huoB-3humA:
22.05
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		5 / 12 LYS A  78
LYS A 259
GLY A 261
SER A 262
ASP A 264
 None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
CEW  A 501 (-2.9A)
None
 0.83A 3huoB-3humA:
22.3		 3huoB-3humA:
22.05
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 ALA A  74
SER A  75
LYS A  78
ASN A 141
THR A 260
GLY A 261
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
None
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
 0.50A 3mzeA-3humA:
34.3		 3mzeA-3humA:
24.84
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ASP A 264
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
None
 0.58A 3ny4A-3humA:
22.2		 3ny4A-3humA:
20.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 LYS A  78
ASN A 141
LYS A 259
GLY A 261
SER A 262
ASP A 264
 None
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
CEW  A 501 (-2.9A)
None
 1.01A 3q07A-3humA:
22.4		 3q07A-3humA:
22.05
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 SER A 139
ASN A 141
LYS A 259
GLY A 261
SER A 262
ASP A 264
 CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
CEW  A 501 (-2.9A)
None
 1.00A 3q07A-3humA:
22.4		 3q07A-3humA:
22.05
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 LYS A  78
SER A 139
ASN A 141
LYS A 259
GLY A 261
ASP A 264
 None
CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
 0.96A 3q07B-3humA:
21.7		 3q07B-3humA:
22.05
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 LYS A  78
SER A 139
LYS A 259
GLY A 261
SER A 262
ASP A 264
 None
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
CEW  A 501 (-2.9A)
None
 0.73A 3q07B-3humA:
21.7		 3q07B-3humA:
22.05
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 ALA A  74
SER A  75
SER A 139
ASN A 141
LYS A 259
GLY A 261
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
 0.77A 3sh8A-3humA:
23.0		 3sh8A-3humA:
19.74
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 ALA A  74
SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
 0.40A 3sh8A-3humA:
23.0		 3sh8A-3humA:
19.74
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 ALA A  74
SER A  75
LYS A  78
ASN A 141
GLY A 261
TYR A 291
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
None
CEW  A 501 (-3.1A)
None
 1.03A 3sh8B-3humA:
22.8		 3sh8B-3humA:
19.74
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 ALA A  74
SER A  75
LYS A  78
ASN A 141
LYS A 259
GLY A 261
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
 0.77A 3sh8B-3humA:
22.8		 3sh8B-3humA:
19.74
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 ALA A  74
SER A  75
SER A 139
LYS A 259
GLY A 261
TYR A 268
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
 0.76A 3sh8B-3humA:
22.8		 3sh8B-3humA:
19.74
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.
3SUE_C_SUEC1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 5 PHE A 243
TYR A 239
LEU A 258
LYS A 259
 CEW  A 501 (-4.6A)
None
None
CEW  A 501 ( 4.4A)
 1.30A 3sueC-3humA:
undetectable		 3sueC-3humA:
21.64
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.
4B53_B_ACTB1445_0
(IG GAMMA-4 CHAIN C
REGION)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		3 / 3 GLU A 246
GLY A 254
SER A 251
 None
 0.58A 4b53B-3humA:
undetectable		 4b53B-3humA:
12.33
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.
4BBO_C_ACTC1113_0
(BLR5658 PROTEIN)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 4 ASN A 269
ALA A 266
GLY A 287
THR A  50
 None
 1.18A 4bboC-3humA:
undetectable		 4bboC-3humA:
15.19
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.
4D7B_A_TCWA1126_1
(TRANSTHYRETIN)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 6 LEU A 112
ALA A 142
LEU A 115
SER A 116
 None
None
None
CEW  A 501 (-3.1A)
 1.10A 4d7bB-3humA:
undetectable		 4d7bB-3humA:
12.77
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 LYS A  78
SER A 139
ASN A 141
LYS A 259
THR A 260
GLY A 261
 None
CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
 0.66A 4euzA-3humA:
22.9		 4euzA-3humA:
21.94
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 10 SER A 139
ASN A 141
LYS A 259
THR A 260
GLY A 261
ALA A  74
 CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 ( 4.1A)
 1.41A 4fh2A-3humA:
22.9		 4fh2A-3humA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		5 / 10 SER A 139
LYS A 259
THR A 260
GLY A 261
ARG A 300
 CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 ( 4.8A)
 1.16A 4fh2A-3humA:
22.9		 4fh2A-3humA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 12 ALA A  74
SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ARG A 300
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 ( 4.8A)
 1.05A 4n9kA-3humA:
22.8		 4n9kA-3humA:
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 12 ALA A  74
SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ARG A 300
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 ( 4.8A)
 1.04A 4n9kB-3humA:
22.9		 4n9kB-3humA:
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 12 ALA A  74
SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
TYR A 268
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
None
 0.69A 4n9kB-3humA:
22.9		 4n9kB-3humA:
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 4 ALA A 191
VAL A 177
GLY A 181
THR A 180
 None
 0.98A 4ubeA-3humA:
undetectable		 4ubeA-3humA:
20.58
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		5 / 9 PHE A 158
LEU A 161
THR A 135
VAL A 151
LEU A 132
 None
 1.37A 4wnvA-3humA:
undetectable		 4wnvA-3humA:
22.12
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.
5A6I_A_TCWA1124_1
(TRANSTHYRETIN)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 6 LEU A 112
ALA A 142
LEU A 115
SER A 116
 None
None
None
CEW  A 501 (-3.1A)
 1.06A 5a6iA-3humA:
undetectable		 5a6iA-3humA:
12.09
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 ALA A  74
SER A  75
ASN A 141
LYS A 259
GLY A 261
TYR A 291
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
 1.07A 5ghyA-3humA:
22.5		 5ghyA-3humA:
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 ALA A  74
SER A  75
SER A 139
LYS A 259
GLY A 261
TYR A 268
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
 0.74A 5ghyA-3humA:
22.5		 5ghyA-3humA:
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 ALA A  74
SER A  75
SER A 139
LYS A 259
GLY A 261
TYR A 291
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
 1.07A 5ghyA-3humA:
22.5		 5ghyA-3humA:
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 ALA A  74
SER A  75
SER A 139
LYS A 259
GLY A 261
TYR A 268
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
 0.73A 5ghyB-3humA:
22.6		 5ghyB-3humA:
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 11 ALA A  74
SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ARG A 300
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 ( 4.8A)
 1.04A 5ghzA-3humA:
22.6		 5ghzA-3humA:
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 10 ALA A  74
SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ARG A 300
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 ( 4.8A)
 1.05A 5ghzB-3humA:
22.6		 5ghzB-3humA:
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.
5JWA_H_ACTH614_0
(NADH DEHYDROGENASE,
PUTATIVE)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 6 ILE A  67
VAL A  55
TYR A  63
VAL A  53
 None
 0.96A 5jwaH-3humA:
undetectable		 5jwaH-3humA:
24.20
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		5 / 12 ALA A 143
LEU A 147
PHE A 158
THR A 155
LEU A 187
 None
 1.17A 5k9dA-3humA:
undetectable		 5k9dA-3humA:
23.16
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 6 LEU A 112
ALA A 142
LEU A 115
SER A 116
 None
None
None
CEW  A 501 (-3.1A)
 1.12A 5l4iB-3humA:
undetectable		 5l4iB-3humA:
12.56
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.
5U6M_B_SALB503_1
(UDP-GLYCOSYLTRANSFER
ASE 74F2)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 7 THR A 260
HIS A 270
MET A 250
THR A 255
 CEW  A 501 ( 4.3A)
None
None
None
 1.37A 5u6mB-3humA:
undetectable		 5u6mB-3humA:
22.35
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.
5X24_A_LSNA503_1
(CYTOCHROME P450 2C9)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 6 PHE A 241
GLY A 261
THR A 260
ASN A 269
 CEW  A 501 (-4.1A)
CEW  A 501 (-3.1A)
CEW  A 501 ( 4.3A)
None
 1.01A 5x24A-3humA:
undetectable		 5x24A-3humA:
21.77
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ASP A 264
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
None
 0.58A 6b5yB-3humA:
22.5		 6b5yB-3humA:
11.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 12 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ASP A 264
GLU A 297
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
None
CEW  A 501 (-3.2A)
 0.74A 6b5yD-3humA:
22.6		 6b5yD-3humA:
11.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ASP A 264
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
None
 0.55A 6b68B-3humA:
22.7		 6b68B-3humA:
11.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 SER A  75
SER A 139
LYS A 259
GLY A 261
ASP A 264
GLU A 297
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
CEW  A 501 (-3.2A)
 0.72A 6b68D-3humA:
22.5		 6b68D-3humA:
11.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ASP A 264
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
None
 0.61A 6b69A-3humA:
22.4
6b69B-3humA:
22.5		 6b69A-3humA:
11.70
6b69B-3humA:
11.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 12 SER A  75
SER A 139
ARG A 300
LYS A 259
THR A 260
GLY A 261
GLU A 297
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.8A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 (-3.2A)
 1.22A 6b69D-3humA:
22.4		 6b69D-3humA:
11.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ASP A 264
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
None
 0.59A 6b6aB-3humA:
22.6		 6b6aB-3humA:
11.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 SER A  75
ARG A 300
LYS A 259
THR A 260
GLY A 261
GLU A 297
 CEW  A 501 (-2.6A)
CEW  A 501 ( 4.8A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 (-3.2A)
 1.27A 6b6aD-3humA:
22.6		 6b6aD-3humA:
11.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		7 / 12 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ASP A 264
GLU A 297
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
None
CEW  A 501 (-3.2A)
 0.74A 6b6aD-3humA:
22.6		 6b6aD-3humA:
11.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 SER A  75
ARG A 186
ARG A 300
LYS A 259
THR A 260
GLY A 261
 CEW  A 501 (-2.6A)
None
CEW  A 501 ( 4.8A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
 1.39A 6b6cA-3humA:
22.6		 6b6cA-3humA:
11.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		5 / 12 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
 0.40A 6b6cA-3humA:
22.6		 6b6cA-3humA:
11.70
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)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		6 / 12 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ASP A 264
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
None
 0.64A 6b6fA-3humA:
22.5		 6b6fA-3humA:
11.70
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.
6G1P_A_ACTA403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		3 / 3 TYR A 315
ASP A 313
GLN A 314
 None
 0.82A 6g1pA-3humA:
undetectable		 6g1pA-3humA:
21.72
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		5 / 11 THR A 201
THR A  81
THR A 155
VAL A 159
MET A 162
 None
 1.30A 6hcoA-3humA:
undetectable
6hcoB-3humA:
undetectable		 6hcoA-3humA:
21.33
6hcoB-3humA:
21.33
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.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 3hum PENICILLIN-BINDING
PROTEIN 4
(Staphylococcus
aureus) 		4 / 7 GLY A 257
LEU A 258
GLY A 304
ASN A 242
 None
 0.85A 6nm4A-3humA:
undetectable		 6nm4A-3humA:
15.45