SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3dwk'

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.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 12 TYR A 210
ASP A 199
SER A 198
ASP A 241
ASP A 383
 None
 1.46A 1dy4A-3dwkA:
undetectable		 1dy4A-3dwkA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		7 / 12 SER A 398
LYS A 401
TYR A 437
SER A 454
ASN A 456
LYS A 583
GLY A 585
 SO4  A  26 (-2.7A)
SO4  A  26 ( 4.8A)
None
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
 0.93A 1ghmA-3dwkA:
16.4		 1ghmA-3dwkA:
19.48
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
 SO4  A  26 (-2.7A)
SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
 0.52A 1i2wA-3dwkA:
17.1		 1i2wA-3dwkA:
18.70
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 4 LEU A 556
PRO A 674
ILE A 447
LEU A 451
 None
 1.09A 1ya4C-3dwkA:
undetectable		 1ya4C-3dwkA:
20.28
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.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		7 / 12 SER A 398
LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.65A 1ymxA-3dwkA:
18.1		 1ymxA-3dwkA:
18.79
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		7 / 12 SER A 398
LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.62A 1ymxB-3dwkA:
18.1		 1ymxB-3dwkA:
18.79
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.
2DU8_G_BEZG2352_0
(D-AMINO-ACID OXIDASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 5 TYR A 240
ILE A 239
ARG A  93
GLY A 200
 None
None
SO4  A  22 (-3.5A)
None
 1.28A 2du8G-3dwkA:
undetectable		 2du8G-3dwkA:
21.13
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.
2DU8_J_BEZJ3352_0
(D-AMINO-ACID OXIDASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 5 TYR A 240
ILE A 239
ARG A  93
GLY A 200
 None
None
SO4  A  22 (-3.5A)
None
 1.30A 2du8J-3dwkA:
undetectable		 2du8J-3dwkA:
21.13
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.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		3 / 3 LEU A 599
TYR A 589
GLY A 587
 None
SO4  A  24 (-4.7A)
None
 0.61A 2ocuA-3dwkA:
undetectable		 2ocuA-3dwkA:
19.40
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.
3BOG_C_DVAC10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		3 / 3 GLY A 587
GLY A 497
GLY A 397
 None
 0.42A 3bogC-3dwkA:
undetectable		 3bogC-3dwkA:
8.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 11 ALA A 207
LEU A 230
ILE A 239
LEU A 276
PHE A 212
 None
 1.27A 3fl9C-3dwkA:
undetectable		 3fl9C-3dwkA:
14.55
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.
3FL9_H_TOPH200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 9 ALA A 207
LEU A 230
ILE A 239
LEU A 276
PHE A 212
 None
 1.21A 3fl9H-3dwkA:
undetectable		 3fl9H-3dwkA:
14.55
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.59A 3hlwA-3dwkA:
17.8		 3hlwA-3dwkA:
19.12
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.47A 3hlwB-3dwkA:
18.1		 3hlwB-3dwkA:
19.12
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 LYS A 401
ASN A 456
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 ( 4.8A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.53A 3huoA-3dwkA:
18.1		 3huoA-3dwkA:
19.12
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 12 LYS A 401
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 ( 4.8A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.56A 3huoB-3dwkA:
17.9		 3huoB-3dwkA:
19.12
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.
3LSF_B_PZIB802_0
(GLUTAMATE RECEPTOR 2)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		3 / 3 SER A 297
ASP A 348
ASN A 349
 None
 1.02A 3lsfB-3dwkA:
undetectable
3lsfE-3dwkA:
undetectable		 3lsfB-3dwkA:
17.16
3lsfE-3dwkA:
17.16
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.
3LSF_H_PZIH800_0
(GLUTAMATE RECEPTOR 2)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 8 TYR A 486
PRO A 395
SER A 399
LEU A 400
 None
 1.14A 3lsfH-3dwkA:
undetectable		 3lsfH-3dwkA:
17.16
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.85A 3ny4A-3dwkA:
17.9		 3ny4A-3dwkA:
16.02
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.59A 3ny4A-3dwkA:
17.9		 3ny4A-3dwkA:
16.02
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.54A 3q07A-3dwkA:
17.7		 3q07A-3dwkA:
19.12
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.67A 3q07B-3dwkA:
18.0		 3q07B-3dwkA:
19.12
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
 0.58A 3sh8A-3dwkA:
17.7		 3sh8A-3dwkA:
17.94
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_B_CEDB1_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
 SO4  A  26 (-2.7A)
SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
 0.64A 3sh8B-3dwkA:
17.4		 3sh8B-3dwkA:
17.94
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.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 8 PHE A 403
PHE A 478
ALA A 547
ALA A 553
 None
 0.98A 3t3sF-3dwkA:
undetectable		 3t3sF-3dwkA:
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.
4A7T_A_5FWA1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		3 / 3 ASP A 185
LYS A 184
ASP A 186
 SO4  A  16 ( 4.5A)
None
None
 0.82A 4a7tA-3dwkA:
undetectable		 4a7tA-3dwkA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 8 ILE A 490
ASP A 489
VAL A 466
GLY A 471
 None
 0.76A 4acaC-3dwkA:
undetectable		 4acaC-3dwkA:
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.
4ACB_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 8 ILE A 490
ASP A 489
VAL A 466
GLY A 471
 None
 0.75A 4acbC-3dwkA:
undetectable		 4acbC-3dwkA:
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)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 4 ASN A 418
SER A 454
LEU A 451
THR A 687
 None
SO4  A  26 (-3.1A)
None
None
 1.48A 4an2A-3dwkA:
undetectable		 4an2A-3dwkA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DRJ_A_RAPA201_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
SERINE/THREONINE-PRO
TEIN KINASE MTOR)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 8 SER A 526
THR A 543
ASP A 541
TYR A 540
 None
 0.96A 4drjB-3dwkA:
undetectable		 4drjB-3dwkA:
9.76
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 LYS A 401
SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
 SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
 0.61A 4euzA-3dwkA:
17.8		 4euzA-3dwkA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 LYS A 401
SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
 SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
 0.70A 4euzA-3dwkA:
17.8		 4euzA-3dwkA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F4D_B_CHDB505_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 12 LEU A 404
LEU A 400
LEU A 508
ILE A 490
SER A 504
 None
 0.92A 4f4dB-3dwkA:
undetectable		 4f4dB-3dwkA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 7 TYR A 226
TYR A 211
LEU A 227
TYR A 191
 None
 1.38A 4f8yC-3dwkA:
undetectable
4f8yD-3dwkA:
undetectable		 4f8yC-3dwkA:
15.36
4f8yD-3dwkA:
15.36
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.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 10 SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
 SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
 0.58A 4fh2A-3dwkA:
17.7		 4fh2A-3dwkA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
 0.55A 4n9kA-3dwkA:
17.3		 4n9kA-3dwkA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
 0.56A 4n9kB-3dwkA:
17.4		 4n9kB-3dwkA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.81A 4pm5A-3dwkA:
18.3		 4pm5A-3dwkA:
18.30
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.84A 4pm7A-3dwkA:
18.2		 4pm7A-3dwkA:
18.30
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.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.77A 4pm9A-3dwkA:
18.3		 4pm9A-3dwkA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RFQ_A_SAMA401_1
(HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 4 THR A 520
GLY A 370
ASP A 366
SER A 544
 None
 1.37A 4rfqA-3dwkA:
undetectable		 4rfqA-3dwkA:
18.61
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 12 THR A 584
GLY A 581
PHE A 512
LEU A 451
PRO A 402
 SO4  A  26 (-3.6A)
None
None
None
None
 1.09A 4uinH-3dwkA:
undetectable
4uinL-3dwkA:
undetectable		 4uinH-3dwkA:
16.56
4uinL-3dwkA:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URO_A_NOVA2000_1
(DNA GYRASE SUBUNIT B)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 12 ASN A 418
SER A 446
ASP A 449
ILE A 673
ILE A 676
 None
 1.32A 4uroA-3dwkA:
undetectable		 4uroA-3dwkA:
17.27
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.
4URO_B_NOVB2000_1
(DNA GYRASE SUBUNIT B)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 12 ASN A 418
SER A 446
ASP A 449
ILE A 673
ILE A 676
 None
 1.31A 4uroB-3dwkA:
undetectable		 4uroB-3dwkA:
17.27
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.
4URO_D_NOVD2000_1
(DNA GYRASE SUBUNIT B)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 12 ASN A 418
SER A 446
ASP A 449
ILE A 673
ILE A 676
 None
 1.32A 4uroD-3dwkA:
undetectable		 4uroD-3dwkA:
17.27
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.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		3 / 3 ASN A 235
SER A 198
ARG A 288
 None
 0.89A 5b2qA-3dwkA:
undetectable		 5b2qA-3dwkA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 6 ASP A 241
PRO A 231
TYR A 226
LEU A 227
 None
 1.32A 5bmvB-3dwkA:
undetectable		 5bmvB-3dwkA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
TYR A 437
SER A 454
ASN A 456
LYS A 583
GLY A 585
 SO4  A  26 (-2.7A)
None
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
 0.91A 5ghyA-3dwkA:
17.3		 5ghyA-3dwkA:
18.18
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 11 SER A 398
SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
 0.57A 5ghzA-3dwkA:
17.4		 5ghzA-3dwkA:
18.18
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 10 SER A 398
SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
 0.59A 5ghzB-3dwkA:
17.5		 5ghzB-3dwkA:
18.18
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.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 6 ASP A 241
ARG A 283
TYR A 210
TYR A 196
 None
SO4  A  22 (-2.9A)
None
None
 1.14A 5igyA-3dwkA:
undetectable		 5igyA-3dwkA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IWU_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 6 ASP A 241
ARG A 283
TYR A 210
TYR A 196
 None
SO4  A  22 (-2.9A)
None
None
 1.08A 5iwuA-3dwkA:
undetectable		 5iwuA-3dwkA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LAK_I_BEZI1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		3 / 3 SER A 198
TYR A 197
TYR A 196
 None
 0.80A 5lakA-3dwkA:
undetectable
5lakI-3dwkA:
undetectable		 5lakA-3dwkA:
20.14
5lakI-3dwkA:
1.75
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.
5LAK_J_BEZJ1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		3 / 3 SER A 198
TYR A 197
TYR A 196
 None
 0.84A 5lakC-3dwkA:
undetectable
5lakJ-3dwkA:
undetectable		 5lakC-3dwkA:
20.14
5lakJ-3dwkA:
1.75
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.
5VW9_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		4 / 8 GLY A 587
ALA A 604
GLY A 397
SER A 399
 None
 0.71A 5vw9A-3dwkA:
undetectable		 5vw9A-3dwkA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.75A 6b5yB-3dwkA:
17.9		 6b5yB-3dwkA:
8.84
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.52A 6b5yB-3dwkA:
17.9		 6b5yB-3dwkA:
8.84
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.75A 6b5yD-3dwkA:
17.8		 6b5yD-3dwkA:
8.84
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 399
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 1.47A 6b5yD-3dwkA:
17.8		 6b5yD-3dwkA:
8.84
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.53A 6b5yD-3dwkA:
17.8		 6b5yD-3dwkA:
8.84
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.70A 6b68B-3dwkA:
17.8		 6b68B-3dwkA:
8.84
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.51A 6b68B-3dwkA:
17.8		 6b68B-3dwkA:
8.84
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 12 SER A 454
LYS A 583
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.53A 6b68D-3dwkA:
17.8		 6b68D-3dwkA:
8.84
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		7 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.72A 6b69A-3dwkA:
18.0
6b69B-3dwkA:
17.8		 6b69A-3dwkA:
8.84
6b69B-3dwkA:
8.84
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		7 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.69A 6b69D-3dwkA:
17.7		 6b69D-3dwkA:
8.84
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.68A 6b6aB-3dwkA:
18.0		 6b6aB-3dwkA:
8.84
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.50A 6b6aB-3dwkA:
18.0		 6b6aB-3dwkA:
8.84
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.66A 6b6aD-3dwkA:
18.0		 6b6aD-3dwkA:
8.84
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.49A 6b6aD-3dwkA:
18.0		 6b6aD-3dwkA:
8.84
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.77A 6b6cA-3dwkA:
18.1		 6b6cA-3dwkA:
8.84
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.60A 6b6cA-3dwkA:
18.1		 6b6cA-3dwkA:
8.84
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		7 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.84A 6b6dA-3dwkA:
17.9		 6b6dA-3dwkA:
8.84
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		7 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.71A 6b6eA-3dwkA:
17.9		 6b6eA-3dwkA:
8.84
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.79A 6b6fA-3dwkA:
18.2		 6b6fA-3dwkA:
8.84
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 399
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 1.49A 6b6fA-3dwkA:
18.2		 6b6fA-3dwkA:
8.84
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		6 / 12 SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.64A 6b6fA-3dwkA:
18.2		 6b6fA-3dwkA:
8.84
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 12 SER A 454
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.50A 6c79A-3dwkA:
18.2		 6c79A-3dwkA:
11.21
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.
6E8Q_A_X2NA602_0
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3dwk PENICILLIN-BINDING
PROTEIN 2
(Staphylococcus
aureus) 		5 / 12 GLY A 488
ILE A 515
PHE A 478
GLY A 407
PHE A 503
 None
 1.05A 6e8qA-3dwkA:
undetectable		 6e8qA-3dwkA:
8.89