SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2exa'

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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		7 / 12 ALA A  61
SER A  62
LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.27A 1ghmA-2exaA:
17.8		 1ghmA-2exaA:
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		7 / 12 ALA A  61
SER A  62
LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.39A 1i2wA-2exaA:
17.6		 1i2wA-2exaA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		6 / 12 ALA A  61
SER A  62
LYS A  65
SER A 306
ASN A 308
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
DGF  A 501 (-3.4A)
 0.38A 1i2wB-2exaA:
17.8		 1i2wB-2exaA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 TRP A 151
ALA A 331
GLY A 319
ALA A 166
ILE A 168
 None
 1.12A 1kxhA-2exaA:
undetectable		 1kxhA-2exaA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC2_E_NCAE507_0
(NAD-DEPENDENT
DEACETYLASE 2)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		4 / 7 ILE A  27
LEU A  36
ILE A 473
ASP A 472
 None
 0.91A 1yc2E-2exaA:
undetectable		 1yc2E-2exaA:
19.65
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.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		6 / 12 SER A  62
LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 (-1.3A)
DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.33A 1ymxA-2exaA:
17.2		 1ymxA-2exaA:
22.94
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		6 / 12 SER A  62
LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 (-1.3A)
DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.31A 1ymxB-2exaA:
17.5		 1ymxB-2exaA:
22.94
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.
2J9C_C_ACTC1120_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		3 / 3 LYS A 459
TYR A 448
PRO A 461
 None
 1.18A 2j9cC-2exaA:
undetectable		 2j9cC-2exaA:
12.75
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 PHE A 315
ALA A 148
GLY A 332
VAL A 373
ILE A 348
 None
 0.99A 3c6gA-2exaA:
undetectable		 3c6gA-2exaA:
22.88
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.40A 3hlwA-2exaA:
17.5		 3hlwA-2exaA:
22.94
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.39A 3hlwB-2exaA:
17.6		 3hlwB-2exaA:
22.94
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 LYS A  65
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 ( 4.0A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.36A 3huoA-2exaA:
17.5		 3huoA-2exaA:
22.94
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.
3KU1_G_SAMG226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 ARG A 316
GLY A 251
GLY A 256
ALA A 166
ILE A 137
 None
 1.10A 3ku1G-2exaA:
undetectable		 3ku1G-2exaA:
17.69
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.
3LSF_B_PZIB802_0
(GLUTAMATE RECEPTOR 2)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		3 / 3 SER A 388
ASP A 381
ASN A 382
 None
 0.96A 3lsfB-2exaA:
undetectable
3lsfE-2exaA:
undetectable		 3lsfB-2exaA:
20.48
3lsfE-2exaA:
20.48
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.
3LSF_E_PZIE802_0
(GLUTAMATE RECEPTOR 2)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		3 / 3 ASP A 381
ASN A 382
SER A 388
 None
 0.99A 3lsfB-2exaA:
undetectable
3lsfE-2exaA:
undetectable		 3lsfB-2exaA:
20.48
3lsfE-2exaA:
20.48
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.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		3 / 3 ASP A 381
ASN A 382
SER A 388
 None
 0.90A 3lslA-2exaA:
undetectable
3lslD-2exaA:
undetectable		 3lslA-2exaA:
20.04
3lslD-2exaA:
20.04
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.
3LSL_D_PZID802_0
(GLUTAMATE RECEPTOR 2)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		3 / 3 SER A 388
ASP A 381
ASN A 382
 None
 0.97A 3lslA-2exaA:
undetectable
3lslD-2exaA:
undetectable		 3lslA-2exaA:
20.04
3lslD-2exaA:
20.04
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		7 / 12 ALA A  61
SER A  62
LYS A  65
ASN A 308
LEU A 359
THR A 418
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 ( 4.0A)
DGF  A 501 (-3.0A)
DGF  A 501 (-4.2A)
None
DGF  A 501 (-3.4A)
 0.37A 3mzeA-2exaA:
16.5		 3mzeA-2exaA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 LEU A 427
VAL A 410
GLY A 412
ALA A 393
LEU A 399
 None
 1.08A 3nt1A-2exaA:
undetectable		 3nt1A-2exaA:
21.70
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.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 LEU A 427
VAL A 410
GLY A 412
ALA A 393
LEU A 399
 None
 1.07A 3nt1B-2exaA:
undetectable		 3nt1B-2exaA:
21.70
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.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 LEU A 427
VAL A 410
GLY A 412
ALA A 393
LEU A 399
 None
 1.10A 3pghD-2exaA:
undetectable		 3pghD-2exaA:
21.70
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)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.42A 3q07A-2exaA:
17.1		 3q07A-2exaA:
22.94
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.48A 3q07B-2exaA:
16.9		 3q07B-2exaA:
22.94
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		7 / 12 ALA A  61
SER A  62
SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.42A 3sh8A-2exaA:
17.4		 3sh8A-2exaA:
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		7 / 12 ALA A  61
SER A  62
LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.45A 3sh8B-2exaA:
17.5		 3sh8B-2exaA:
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.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		4 / 5 PHE A  82
ALA A 311
THR A  68
LEU A 295
 None
 1.18A 3t3zC-2exaA:
undetectable		 3t3zC-2exaA:
22.31
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.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 10 ILE A 131
LEU A 101
GLY A  95
GLY A 127
SER A 126
 None
 1.12A 4bwlC-2exaA:
undetectable		 4bwlC-2exaA:
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		6 / 12 LYS A  65
SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.38A 4euzA-2exaA:
16.4		 4euzA-2exaA:
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		6 / 12 SER A 306
ASN A 308
LEU A 359
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
DGF  A 501 (-4.2A)
None
None
DGF  A 501 (-3.4A)
 0.67A 4euzA-2exaA:
16.4		 4euzA-2exaA:
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.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		6 / 10 SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
ALA A  61
 DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
DGF  A 501 (-3.6A)
 1.42A 4fh2A-2exaA:
18.8		 4fh2A-2exaA:
24.02
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.
4JJK_A_FOLA601_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		4 / 8 ALA A 416
GLU A 466
LEU A 405
LEU A 399
 None
 0.97A 4jjkA-2exaA:
2.0		 4jjkA-2exaA:
23.17
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.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		4 / 5 GLN A 158
THR A 157
LEU A 178
LEU A 244
 None
 1.03A 4lvcB-2exaA:
undetectable		 4lvcB-2exaA:
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		7 / 12 ALA A  61
SER A  62
SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.41A 4n9kA-2exaA:
17.7		 4n9kA-2exaA:
20.22
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		7 / 12 ALA A  61
SER A  62
SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.42A 4n9kB-2exaA:
17.6		 4n9kB-2exaA:
20.22
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.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 LEU A 303
LEU A 374
GLY A 429
ALA A 416
SER A 415
 None
None
None
None
GOL  A 502 (-2.3A)
 1.08A 4otyA-2exaA:
undetectable		 4otyA-2exaA:
21.70
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.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 LEU A 303
LEU A 374
GLY A 429
ALA A 416
SER A 415
 None
None
None
None
GOL  A 502 (-2.3A)
 1.09A 4otyB-2exaA:
undetectable		 4otyB-2exaA:
21.70
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.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		6 / 12 SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
ALA A  61
 DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
DGF  A 501 (-3.6A)
 1.48A 4pm9A-2exaA:
17.4		 4pm9A-2exaA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZU_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 PHE A  82
ALA A 107
VAL A 336
LEU A 299
LEU A 295
 None
 1.17A 4qzuC-2exaA:
undetectable		 4qzuC-2exaA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		6 / 12 ALA A  61
SER A  62
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.46A 5ghyA-2exaA:
17.3		 5ghyA-2exaA:
20.65
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		6 / 12 ALA A  61
SER A  62
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.44A 5ghyB-2exaA:
17.5		 5ghyB-2exaA:
20.65
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		7 / 11 ALA A  61
SER A  62
SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.42A 5ghzA-2exaA:
17.5		 5ghzA-2exaA:
20.65
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		7 / 10 ALA A  61
SER A  62
SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.42A 5ghzB-2exaA:
17.5		 5ghzB-2exaA:
20.65
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.
5IEP_A_VDYA201_2
(CDL2.3B)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 9 PRO A  60
VAL A 346
LEU A 340
ILE A 348
LEU A 303
 None
 1.40A 5iepA-2exaA:
undetectable		 5iepA-2exaA:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 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_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		3 / 3 ARG A 361
PRO A 152
ASN A 154
 None
 0.88A 5jwaA-2exaA:
undetectable
5jwaH-2exaA:
undetectable		 5jwaA-2exaA:
21.44
5jwaH-2exaA:
21.44
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.
5M5K_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		4 / 4 GLN A 158
THR A 157
LEU A 178
LEU A 244
 None
 1.03A 5m5kB-2exaA:
undetectable		 5m5kB-2exaA:
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.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 10 LEU A 340
ALA A 428
THR A  68
PRO A 391
LEU A 303
 None
 1.31A 5mm4B-2exaA:
undetectable		 5mm4B-2exaA:
10.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MSD_A_BEZA1202_0
(CARBOXYLIC ACID
REDUCTASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		4 / 5 ILE A  67
PHE A 315
SER A 333
ALA A  71
 None
 1.02A 5msdA-2exaA:
undetectable		 5msdA-2exaA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y9M_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		4 / 8 LEU A 405
VAL A 410
VAL A 414
ILE A 473
 None
 0.80A 5y9mA-2exaA:
undetectable		 5y9mA-2exaA:
10.40
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 SER A  62
SER A 306
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
None
None
DGF  A 501 (-3.4A)
 0.33A 6b6aD-2exaA:
17.2		 6b6aD-2exaA:
11.60
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 SER A  62
SER A 306
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
None
None
DGF  A 501 (-3.4A)
 0.42A 6b6cA-2exaA:
17.2		 6b6cA-2exaA:
11.60
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 2exa PENICILLIN-BINDING
PROTEIN 4
(Escherichia
coli) 		5 / 12 SER A  62
SER A 306
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
None
None
DGF  A 501 (-3.4A)
 0.53A 6b6fA-2exaA:
16.9		 6b6fA-2exaA:
11.60