SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2iwb'

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)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 391
LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
 GOL  A 604 ( 2.7A)
GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
 0.40A 1ghmA-2iwbA:
17.5		 1ghmA-2iwbA:
25.71
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 391
LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
 GOL  A 604 ( 2.7A)
GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
 0.52A 1i2wA-2iwbA:
19.2		 1i2wA-2iwbA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		3 / 3 GLU A 474
ASN A 448
TRP A 477
 None
 1.29A 1r15C-2iwbA:
undetectable		 1r15C-2iwbA:
20.57
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.
1UPF_C_URFC999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		4 / 5 MET A 501
TYR A 459
ILE A 463
ASP A 403
 None
 1.17A 1upfC-2iwbA:
undetectable		 1upfC-2iwbA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.42A 1ymxA-2iwbA:
19.3		 1ymxA-2iwbA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.42A 1ymxB-2iwbA:
19.3		 1ymxB-2iwbA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UZ2_A_ACTA1123_0
(XENAVIDIN)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		4 / 7 ASN A 491
TYR A 342
THR A 344
VAL A 346
 None
 1.12A 2uz2A-2iwbA:
undetectable		 2uz2A-2iwbA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		4 / 8 TYR A 443
TYR A 444
SER A 435
SER A 514
 None
 1.14A 2vmyA-2iwbA:
undetectable
2vmyB-2iwbA:
undetectable		 2vmyA-2iwbA:
20.59
2vmyB-2iwbA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		5 / 8 GLY A 530
ILE A 533
ASN A 478
ALA A 571
HIS A 559
 GOL  A 605 ( 3.2A)
None
None
None
None
 1.26A 2x0pA-2iwbA:
undetectable		 2x0pA-2iwbA:
14.70
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.46A 3hlwA-2iwbA:
19.3		 3hlwA-2iwbA:
21.74
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
GLY A 532
 GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
None
 0.32A 3hlwB-2iwbA:
19.3		 3hlwB-2iwbA:
21.74
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 LYS A 394
ASN A 441
LYS A 528
THR A 529
GLY A 530
GLY A 532
 GOL  A 605 ( 3.9A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
None
 0.43A 3huoA-2iwbA:
19.2		 3huoA-2iwbA:
21.74
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		5 / 12 LYS A 394
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 605 ( 3.9A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.44A 3huoB-2iwbA:
18.9		 3huoB-2iwbA:
21.74
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.
3MEK_A_SAMA510_0
(SET AND MYND
DOMAIN-CONTAINING
PROTEIN 3)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		5 / 12 GLY A 472
ASN A 473
ASN A 467
TYR A 393
TYR A 465
 None
 1.34A 3mekA-2iwbA:
undetectable		 3mekA-2iwbA:
18.69
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.51A 3ny4A-2iwbA:
18.3		 3ny4A-2iwbA:
21.75
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 439
ASN A 478
LYS A 528
THR A 529
GLY A 530
THR A 531
 GOL  A 604 (-2.6A)
None
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
 1.01A 3ny4A-2iwbA:
18.3		 3ny4A-2iwbA:
21.75
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.46A 3q07A-2iwbA:
19.1		 3q07A-2iwbA:
21.74
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.38A 3q07B-2iwbA:
19.3		 3q07B-2iwbA:
21.74
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.
3QWP_A_SAMA510_0
(SET AND MYND
DOMAIN-CONTAINING
PROTEIN 3)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		5 / 12 GLY A 472
ASN A 473
ASN A 467
TYR A 393
TYR A 465
 None
 1.37A 3qwpA-2iwbA:
undetectable		 3qwpA-2iwbA:
18.69
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 391
SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
 0.29A 3sh8A-2iwbA:
19.2		 3sh8A-2iwbA:
24.05
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_B_CEDB1_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 391
LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
 GOL  A 604 ( 2.7A)
GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
 0.50A 3sh8B-2iwbA:
19.7		 3sh8B-2iwbA:
24.05
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.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		4 / 8 ASN A 448
LYS A 528
ASN A 390
THR A 392
 None
GOL  A 604 (-2.9A)
None
None
 1.20A 4d1yA-2iwbA:
undetectable
4d1yB-2iwbA:
undetectable		 4d1yA-2iwbA:
23.19
4d1yB-2iwbA:
23.19
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 LYS A 394
SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
THR A 531
 GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
 0.58A 4euzA-2iwbA:
18.8		 4euzA-2iwbA:
21.05
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.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		5 / 10 SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
 GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
 0.50A 4fh2A-2iwbA:
17.6		 4fh2A-2iwbA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		4 / 5 TYR A 476
THR A 412
LEU A 432
THR A 392
 None
 1.35A 4mbsB-2iwbA:
undetectable		 4mbsB-2iwbA:
20.33
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 391
SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
 0.29A 4n9kA-2iwbA:
19.5		 4n9kA-2iwbA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 391
SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
 0.33A 4n9kB-2iwbA:
19.4		 4n9kB-2iwbA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
GLY A 532
 GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
None
 0.64A 4pm5A-2iwbA:
19.4		 4pm5A-2iwbA:
22.74
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.68A 4pm7A-2iwbA:
19.4		 4pm7A-2iwbA:
22.74
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.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
GLY A 532
 GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
None
 0.64A 4pm9A-2iwbA:
19.3		 4pm9A-2iwbA:
22.43
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.
4RYA_A_MTLA501_1
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		3 / 3 GLU A 509
TYR A 546
GLU A 548
 None
None
GOL  A 606 ( 4.3A)
 0.66A 4ryaA-2iwbA:
undetectable		 4ryaA-2iwbA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CCL_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		5 / 12 GLY A 472
ASN A 473
ASN A 467
TYR A 393
TYR A 465
 None
 1.34A 5cclA-2iwbA:
undetectable		 5cclA-2iwbA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CCM_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		5 / 12 GLY A 472
ASN A 473
ASN A 467
TYR A 393
TYR A 465
 None
 1.37A 5ccmA-2iwbA:
undetectable		 5ccmA-2iwbA:
18.74
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 11 SER A 391
SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
 0.30A 5ghzA-2iwbA:
19.4		 5ghzA-2iwbA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 10 SER A 391
SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
 0.29A 5ghzB-2iwbA:
19.5		 5ghzB-2iwbA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JI0_D_BRLD501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		5 / 12 GLY A 568
GLN A 572
SER A 575
LEU A 517
TYR A 525
 GOL  A 604 (-3.5A)
None
None
None
None
 1.32A 5ji0D-2iwbA:
undetectable		 5ji0D-2iwbA:
24.01
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.
5JM4_A_BEZA301_0
(14-3-3 PROTEIN
ZETA/DELTA)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		4 / 5 PHE A 503
ILE A 463
MET A 400
GLN A 404
 None
 1.33A 5jm4A-2iwbA:
undetectable		 5jm4A-2iwbA:
23.64
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.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		5 / 12 LEU A 432
PHE A 402
TYR A 396
ILE A 395
LEU A 482
 None
 1.29A 5ljbA-2iwbA:
undetectable		 5ljbA-2iwbA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.49A 6b5yB-2iwbA:
18.9		 6b5yB-2iwbA:
17.83
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.54A 6b5yD-2iwbA:
18.3		 6b5yD-2iwbA:
17.83
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.38A 6b68B-2iwbA:
18.9		 6b68B-2iwbA:
17.83
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 391
SER A 439
LYS A 528
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.38A 6b68D-2iwbA:
18.9		 6b68D-2iwbA:
17.83
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.44A 6b69A-2iwbA:
19.0
6b69B-2iwbA:
18.7		 6b69A-2iwbA:
17.83
6b69B-2iwbA:
17.83
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.41A 6b69D-2iwbA:
7.8		 6b69D-2iwbA:
17.83
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.42A 6b6aB-2iwbA:
19.1		 6b6aB-2iwbA:
17.83
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.40A 6b6aD-2iwbA:
19.0		 6b6aD-2iwbA:
17.83
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.49A 6b6cA-2iwbA:
19.0		 6b6cA-2iwbA:
17.83
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 391
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.46A 6b6dA-2iwbA:
18.8		 6b6dA-2iwbA:
17.83
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		6 / 12 SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.54A 6b6dA-2iwbA:
18.8		 6b6dA-2iwbA:
17.83
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.46A 6b6eA-2iwbA:
18.8		 6b6eA-2iwbA:
17.83
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		7 / 12 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.55A 6b6fA-2iwbA:
18.8		 6b6fA-2iwbA:
17.83
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN
(Staphylococcus
aureus) 		5 / 12 SER A 439
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.29A 6c79A-2iwbA:
19.8		 6c79A-2iwbA:
14.22