SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5kbr'

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.
1A4G_B_ZMRB466_1
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.26A 1a4gB-5kbrA:
undetectable
1a4gB-5kbrA:
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.
1ICR_A_NIOA604_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 5 SER A 392
THR A 353
GLU A 456
GLY A 460
None
1.01A 1icrA-5kbrA:
undetectable
1icrB-5kbrA:
undetectable
1icrA-5kbrA:
23.39
1icrB-5kbrA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICR_B_NIOB602_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 5 GLU A 456
GLY A 460
SER A 392
THR A 353
None
0.99A 1icrA-5kbrA:
undetectable
1icrB-5kbrA:
undetectable
1icrA-5kbrA:
23.39
1icrB-5kbrA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICU_A_NIOA221_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 6 SER A 392
THR A 353
GLU A 456
GLY A 460
None
1.02A 1icuA-5kbrA:
undetectable
1icuB-5kbrA:
undetectable
1icuA-5kbrA:
23.39
1icuB-5kbrA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICU_B_NIOB219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 6 GLU A 456
GLY A 460
SER A 392
THR A 353
None
1.02A 1icuA-5kbrA:
undetectable
1icuB-5kbrA:
undetectable
1icuA-5kbrA:
23.39
1icuB-5kbrA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICU_C_NIOC225_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 6 SER A 392
THR A 353
GLU A 456
GLY A 460
None
1.04A 1icuC-5kbrA:
undetectable
1icuD-5kbrA:
undetectable
1icuC-5kbrA:
23.39
1icuD-5kbrA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 5 SER A 392
THR A 353
GLU A 456
GLY A 460
None
1.01A 1icvC-5kbrA:
undetectable
1icvD-5kbrA:
undetectable
1icvC-5kbrA:
23.39
1icvD-5kbrA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IEP_B_STIB202_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 7 VAL A 318
VAL A 328
ARG A 388
LEU A 396
None
None
None
IPW  A 601 (-4.5A)
0.92A 1iepB-5kbrA:
17.2
1iepB-5kbrA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KQB_A_BEZA524_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 6 SER A 392
THR A 353
GLU A 456
GLY A 460
None
1.00A 1kqbA-5kbrA:
undetectable
1kqbB-5kbrA:
undetectable
1kqbA-5kbrA:
23.21
1kqbB-5kbrA:
23.21
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.
1KQB_B_BEZB525_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 5 GLU A 456
GLY A 460
SER A 392
THR A 353
None
1.02A 1kqbA-5kbrA:
undetectable
1kqbB-5kbrA:
undetectable
1kqbA-5kbrA:
23.21
1kqbB-5kbrA:
23.21
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.
1KQB_C_BEZC522_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 6 SER A 392
THR A 353
GLU A 456
GLY A 460
None
0.97A 1kqbC-5kbrA:
undetectable
1kqbD-5kbrA:
undetectable
1kqbC-5kbrA:
23.21
1kqbD-5kbrA:
23.21
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.
1KQB_D_BEZD523_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 6 GLU A 456
GLY A 460
SER A 392
THR A 353
None
0.99A 1kqbC-5kbrA:
undetectable
1kqbD-5kbrA:
undetectable
1kqbC-5kbrA:
23.21
1kqbD-5kbrA:
23.21
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.
1L7F_A_BCZA801_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ILE A 386
ARG A 388
GLU A 423
None
1.32A 1l7fA-5kbrA:
undetectable
1l7fA-5kbrA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7H_A_BCZA801_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ILE A 386
ARG A 388
GLU A 423
None
1.32A 1l7hA-5kbrA:
undetectable
1l7hA-5kbrA:
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.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
VAL A 328
GLY A 350
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 ( 3.8A)
None
1.03A 1opjB-5kbrA:
21.2
1opjB-5kbrA:
24.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 7 VAL A 318
VAL A 342
TYR A 346
ARG A 388
None
IPW  A 601 ( 4.4A)
IPW  A 601 (-4.5A)
None
0.99A 1t46A-5kbrA:
21.2
1t46A-5kbrA:
30.70
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.
1UWH_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 6 ILE A 276
VAL A 284
ILE A 327
ASP A 407
IPW  A 601 (-4.0A)
IPW  A 601 (-4.2A)
None
None
0.74A 1uwhA-5kbrA:
23.7
1uwhA-5kbrA:
29.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 7 ILE A 276
LYS A 299
ILE A 327
ASP A 407
IPW  A 601 (-4.0A)
IPW  A 601 (-4.5A)
None
None
0.82A 1uwjA-5kbrA:
7.4
1uwjA-5kbrA:
30.84
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.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 ALA A 297
GLY A 350
ASP A 354
LEU A 396
THR A 406
PHE A 408
IPW  A 601 (-3.5A)
IPW  A 601 ( 3.8A)
None
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
None
0.79A 1xkkA-5kbrA:
22.3
1xkkA-5kbrA:
25.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2EVA_A_ADNA498_1
(TAK1 KINASE - TAB1
CHIMERA FUSION
PROTEIN)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 11 GLY A 277
VAL A 284
ALA A 297
TYR A 346
SER A 351
LEU A 396
IPW  A 601 ( 3.9A)
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
None
IPW  A 601 (-4.5A)
0.43A 2evaA-5kbrA:
19.0
2evaA-5kbrA:
31.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_A_STIA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
GLY A 350
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
None
0.98A 2hyyA-5kbrA:
22.0
2hyyA-5kbrA:
25.36
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.
2HYY_B_STIB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
GLY A 350
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
None
1.01A 2hyyB-5kbrA:
22.0
2hyyB-5kbrA:
25.36
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.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
LYS A 299
GLY A 350
ASP A 354
LEU A 396
THR A 406
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
None
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.74A 2itzA-5kbrA:
23.6
2itzA-5kbrA:
26.27
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.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
LYS A 299
MET A 319
GLY A 350
LEU A 396
THR A 406
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.74A 2itzA-5kbrA:
23.6
2itzA-5kbrA:
26.27
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.
2OIQ_A_STIA1001_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.67A 2oiqA-5kbrA:
22.4
2oiqA-5kbrA:
26.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6O_A_1N1A1892_1
(EPHRIN TYPE-A
RECEPTOR 4)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 ILE A 276
ALA A 297
MET A 319
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.0A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.1A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.45A 2y6oA-5kbrA:
22.5
2y6oA-5kbrA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 10 ILE A 276
VAL A 284
ALA A 297
GLY A 350
ASP A 354
LEU A 396
IPW  A 601 (-4.0A)
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 ( 3.8A)
None
IPW  A 601 (-4.5A)
0.64A 2y7jC-5kbrA:
24.1
2y7jC-5kbrA:
26.97
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.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 10 ILE A 276
VAL A 284
ALA A 297
GLY A 350
ASP A 354
LEU A 396
IPW  A 601 (-4.0A)
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 ( 3.8A)
None
IPW  A 601 (-4.5A)
0.73A 2y7jD-5kbrA:
16.2
2y7jD-5kbrA:
26.97
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.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
LYS A 299
GLY A 350
LEU A 396
THR A 406
PHE A 408
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
None
0.82A 3bbtD-5kbrA:
22.3
3bbtD-5kbrA:
24.71
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.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 ALA A 297
GLU A 315
VAL A 318
MET A 319
GLY A 350
HIS A 387
LEU A 396
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
None
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
None
IPW  A 601 (-4.5A)
0.83A 3cs9A-5kbrA:
21.8
3cs9A-5kbrA:
24.30
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.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 ALA A 297
GLU A 315
VAL A 318
MET A 319
GLY A 350
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
None
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
0.58A 3cs9B-5kbrA:
22.3
3cs9B-5kbrA:
24.30
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.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 ALA A 297
VAL A 318
MET A 319
GLY A 350
HIS A 387
IPW  A 601 (-3.5A)
None
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
None
0.84A 3cs9B-5kbrA:
22.3
3cs9B-5kbrA:
24.30
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.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 ALA A 297
GLU A 315
VAL A 318
MET A 319
HIS A 387
ASP A 407
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
None
IPW  A 601 (-4.1A)
None
None
1.22A 3cs9C-5kbrA:
22.0
3cs9C-5kbrA:
24.30
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.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 ALA A 297
GLU A 315
VAL A 318
MET A 319
LEU A 405
ASP A 407
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
None
IPW  A 601 (-4.1A)
None
None
1.13A 3cs9C-5kbrA:
22.0
3cs9C-5kbrA:
24.30
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.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 GLY A 277
GLY A 279
GLY A 282
VAL A 284
ALA A 297
LYS A 299
SER A 351
LEU A 396
IPW  A 601 ( 3.9A)
None
None
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
None
IPW  A 601 (-4.5A)
0.69A 3eygA-5kbrA:
23.5
3eygA-5kbrA:
26.05
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.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
9 / 12 GLY A 277
GLY A 279
GLY A 282
VAL A 284
ALA A 297
LYS A 299
TYR A 346
SER A 351
LEU A 396
IPW  A 601 ( 3.9A)
None
None
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
None
IPW  A 601 (-4.5A)
0.83A 3fupA-5kbrA:
23.0
3fupA-5kbrA:
25.97
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.
3FUP_B_MI1B1_1
(TYROSINE-PROTEIN
KINASE JAK2)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 GLY A 277
GLY A 279
VAL A 284
ALA A 297
TYR A 346
LEU A 347
LEU A 396
IPW  A 601 ( 3.9A)
None
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.2A)
IPW  A 601 (-4.5A)
0.54A 3fupB-5kbrA:
23.3
3fupB-5kbrA:
25.97
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.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.49A 3g5dA-5kbrA:
24.4
3g5dA-5kbrA:
27.27
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.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
LYS A 299
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.60A 3g5dB-5kbrA:
24.3
3g5dB-5kbrA:
27.27
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.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
VAL A 328
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
None
0.99A 3gvuA-5kbrA:
10.0
3gvuA-5kbrA:
25.84
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.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 ALA A 297
GLU A 315
MET A 319
HIS A 387
LEU A 396
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
0.69A 3ik3B-5kbrA:
21.5
3ik3B-5kbrA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K37_A_BCZA468_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.37A 3k37A-5kbrA:
undetectable
3k37A-5kbrA:
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.
3K39_A_BCZA1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.34A 3k39A-5kbrA:
undetectable
3k39A-5kbrA:
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.
3K39_C_BCZC1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.35A 3k39C-5kbrA:
undetectable
3k39C-5kbrA:
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.
3K39_D_BCZD1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.33A 3k39D-5kbrA:
undetectable
3k39D-5kbrA:
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.
3K39_E_BCZE1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.34A 3k39E-5kbrA:
undetectable
3k39E-5kbrA:
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.
3K39_F_BCZF1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.34A 3k39F-5kbrA:
undetectable
3k39F-5kbrA:
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.
3K39_G_BCZG1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.33A 3k39G-5kbrA:
undetectable
3k39G-5kbrA:
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.
3K39_H_BCZH1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.33A 3k39H-5kbrA:
undetectable
3k39H-5kbrA:
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.
3K39_I_BCZI1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.34A 3k39I-5kbrA:
undetectable
3k39I-5kbrA:
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.
3K39_J_BCZJ1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.34A 3k39J-5kbrA:
undetectable
3k39J-5kbrA:
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.
3K39_K_BCZK1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.34A 3k39K-5kbrA:
undetectable
3k39K-5kbrA:
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.
3K39_L_BCZL1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.32A 3k39L-5kbrA:
undetectable
3k39L-5kbrA:
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.
3K39_M_BCZM1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.35A 3k39M-5kbrA:
undetectable
3k39M-5kbrA:
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.
3K39_N_BCZN1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.33A 3k39N-5kbrA:
undetectable
3k39N-5kbrA:
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.
3K39_O_BCZO1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.35A 3k39O-5kbrA:
undetectable
3k39O-5kbrA:
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.
3K39_P_BCZP1001_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.34A 3k39P-5kbrA:
undetectable
3k39P-5kbrA:
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.
3K54_A_1N1A1_1
(TYROSINE-PROTEIN
KINASE BTK)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 ALA A 297
LYS A 299
GLU A 315
MET A 319
VAL A 328
TYR A 346
LEU A 396
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
0.64A 3k54A-5kbrA:
23.4
3k54A-5kbrA:
26.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K54_A_1N1A1_1
(TYROSINE-PROTEIN
KINASE BTK)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 ALA A 297
LYS A 299
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.53A 3k54A-5kbrA:
23.4
3k54A-5kbrA:
26.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
GLY A 350
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
None
1.02A 3k5vA-5kbrA:
21.2
3k5vA-5kbrA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K5V_B_STIB2_1
(TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
GLY A 350
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
None
1.02A 3k5vB-5kbrA:
21.3
3k5vB-5kbrA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 GLY A 277
GLY A 279
VAL A 284
ALA A 297
LYS A 299
TYR A 346
SER A 351
LEU A 396
IPW  A 601 ( 3.9A)
None
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
None
IPW  A 601 (-4.5A)
0.58A 3lxnA-5kbrA:
23.6
3lxnA-5kbrA:
26.75
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.
3MSS_D_STID1_1
(TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 ALA A 297
GLU A 315
MET A 319
GLY A 350
LEU A 396
ASP A 407
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
None
0.89A 3mssD-5kbrA:
22.0
3mssD-5kbrA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
LYS A 299
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.70A 3octA-5kbrA:
9.4
3octA-5kbrA:
26.30
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.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 ALA A 297
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
ASP A 407
IPW  A 601 (-3.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
None
0.91A 3oezA-5kbrA:
22.3
3oezA-5kbrA:
27.44
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.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.67A 3oezA-5kbrA:
22.3
3oezA-5kbrA:
27.44
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.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
LYS A 299
GLU A 315
VAL A 318
MET A 319
TYR A 346
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.9A)
None
IPW  A 601 (-4.1A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
0.65A 3oezB-5kbrA:
22.8
3oezB-5kbrA:
27.44
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.
3OXZ_A_0LIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 ALA A 297
GLU A 315
MET A 319
VAL A 328
GLY A 350
HIS A 387
ASP A 407
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 ( 3.8A)
None
None
1.10A 3oxzA-5kbrA:
22.2
3oxzA-5kbrA:
24.33
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.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 ALA A 297
GLU A 315
MET A 319
GLY A 350
LEU A 396
ASP A 407
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
None
0.93A 3pyyA-5kbrA:
22.0
3pyyA-5kbrA:
24.76
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.
3PYY_B_STIB4_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
VAL A 328
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
None
1.01A 3pyyB-5kbrA:
21.9
3pyyB-5kbrA:
24.76
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.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
LYS A 299
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.65A 3qlgA-5kbrA:
23.1
3qlgA-5kbrA:
27.44
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.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
VAL A 328
TYR A 346
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
0.63A 3qlgB-5kbrA:
24.4
3qlgB-5kbrA:
27.44
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.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.50A 3qlgB-5kbrA:
24.4
3qlgB-5kbrA:
27.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.46A 3sxrA-5kbrA:
24.3
3sxrA-5kbrA:
30.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.45A 3sxrB-5kbrA:
23.9
3sxrB-5kbrA:
30.82
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.
3TBG_A_RTZA2_1
(CYTOCHROME P450 2D6)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 11 LEU A 352
THR A 353
SER A 449
GLU A 456
LEU A 405
None
1.43A 3tbgA-5kbrA:
undetectable
3tbgA-5kbrA:
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.
3UE4_B_DB8B601_1
(TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
VAL A 328
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.66A 3ue4B-5kbrA:
23.4
3ue4B-5kbrA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
LYS A 299
MET A 344
GLY A 350
ASP A 354
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.5A)
IPW  A 601 ( 3.8A)
None
IPW  A 601 (-4.5A)
0.78A 3ug2A-5kbrA:
20.0
3ug2A-5kbrA:
26.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
TYR A 346
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
None
1.15A 4bkjA-5kbrA:
21.1
4bkjA-5kbrA:
23.82
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.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 10 GLY A 277
VAL A 284
ALA A 297
TYR A 346
SER A 351
LEU A 396
IPW  A 601 ( 3.9A)
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
None
IPW  A 601 (-4.5A)
0.51A 4ckjA-5kbrA:
13.3
4ckjA-5kbrA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPN_B_ZMRB700_1
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.26A 4cpnB-5kbrA:
undetectable
4cpnB-5kbrA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CSV_A_STIA1265_1
(SRC-ABL TYROSINE
KINASE ANCESTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
VAL A 328
TYR A 346
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
None
0.99A 4csvA-5kbrA:
22.9
4csvA-5kbrA:
25.66
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.
4DR2_A_PARA1609_1
(16S RRNA
30S RIBOSOMAL
PROTEIN S9
30S RIBOSOMAL
PROTEIN S10)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
3 / 3 TYR A 441
ARG A 421
SER A 422
None
1.13A 4dr2I-5kbrA:
undetectable
4dr2J-5kbrA:
undetectable
4dr2I-5kbrA:
20.22
4dr2J-5kbrA:
14.34
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.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 ALA A 412
SER A 449
ILE A 390
ASN A 394
LEU A 405
None
1.07A 4gh8A-5kbrA:
undetectable
4gh8A-5kbrA:
18.62
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 VAL A 284
ALA A 297
LYS A 299
GLY A 350
LEU A 396
THR A 406
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.55A 4hjoA-5kbrA:
22.4
4hjoA-5kbrA:
26.55
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 GLY A 277
VAL A 284
ALA A 297
LYS A 299
MET A 344
GLY A 350
LEU A 396
THR A 406
IPW  A 601 ( 3.9A)
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.52A 4i22A-5kbrA:
21.7
4i22A-5kbrA:
26.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KHP_A_PARA1606_1
(16S RIBOSOMAL RNA
30S RIBOSOMAL
PROTEIN S9
30S RIBOSOMAL
PROTEIN S10)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
3 / 3 TYR A 441
ARG A 421
SER A 422
None
0.98A 4khpI-5kbrA:
undetectable
4khpJ-5kbrA:
undetectable
4khpI-5kbrA:
20.30
4khpJ-5kbrA:
15.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 10 ILE A 276
ALA A 297
VAL A 328
MET A 344
LEU A 347
GLY A 350
LEU A 396
IPW  A 601 (-4.0A)
IPW  A 601 (-3.5A)
None
IPW  A 601 (-3.5A)
IPW  A 601 (-4.2A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.53A 4ks8A-5kbrA:
36.5
4ks8A-5kbrA:
48.63
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.
4MWR_A_ZMRA513_1
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.37A 4mwrA-5kbrA:
undetectable
4mwrA-5kbrA:
20.40
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.
4MWV_A_BCZA513_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ILE A 386
ARG A 388
GLU A 423
None
1.32A 4mwvA-5kbrA:
undetectable
4mwvA-5kbrA:
20.40
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.
4MWX_A_ZMRA513_1
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.42A 4mwxA-5kbrA:
undetectable
4mwxA-5kbrA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
LYS A 299
MET A 319
VAL A 328
TYR A 346
GLY A 350
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
0.64A 4mxoA-5kbrA:
24.0
4mxoA-5kbrA:
26.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXX_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 ALA A 297
LYS A 299
GLU A 315
MET A 319
VAL A 328
TYR A 346
LEU A 396
THR A 406
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.62A 4mxxA-5kbrA:
24.0
4mxxA-5kbrA:
27.12
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.
4MXX_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 ALA A 297
LYS A 299
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
THR A 406
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.65A 4mxxA-5kbrA:
24.0
4mxxA-5kbrA:
27.12
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.
4MXX_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
LYS A 299
VAL A 328
TYR A 346
GLY A 350
LEU A 396
THR A 406
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.80A 4mxxB-5kbrA:
22.6
4mxxB-5kbrA:
27.12
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.
4MXY_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
VAL A 328
MET A 344
TYR A 346
GLY A 350
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
None
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
None
0.62A 4mxyA-5kbrA:
24.4
4mxyA-5kbrA:
27.53
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.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
LYS A 299
VAL A 328
MET A 344
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
None
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.62A 4mxyB-5kbrA:
13.7
4mxyB-5kbrA:
27.53
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.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
LYS A 299
VAL A 328
MET A 344
TYR A 346
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
None
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
None
0.67A 4mxyB-5kbrA:
13.7
4mxyB-5kbrA:
27.53
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.
4MXZ_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
VAL A 328
MET A 344
TYR A 346
GLY A 350
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
None
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
None
0.62A 4mxzA-5kbrA:
24.4
4mxzA-5kbrA:
27.53
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.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
LYS A 299
VAL A 328
MET A 344
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
None
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.62A 4mxzB-5kbrA:
13.7
4mxzB-5kbrA:
27.53
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.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 VAL A 284
ALA A 297
LYS A 299
VAL A 328
MET A 344
TYR A 346
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
None
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
None
0.67A 4mxzB-5kbrA:
13.7
4mxzB-5kbrA:
27.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMN_A_DB8A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 ILE A 276
ALA A 297
LYS A 299
GLU A 315
MET A 344
TYR A 346
LEU A 396
ASP A 407
IPW  A 601 (-4.0A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
None
0.98A 4qmnA-5kbrA:
34.9
4qmnA-5kbrA:
42.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
9 / 11 ILE A 276
ALA A 297
LYS A 299
GLU A 315
MET A 344
TYR A 346
LEU A 347
LEU A 396
ASP A 407
IPW  A 601 (-4.0A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.2A)
IPW  A 601 (-4.5A)
None
0.66A 4qmsA-5kbrA:
35.1
4qmsA-5kbrA:
42.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMZ_A_B49A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 12 ILE A 276
GLY A 277
VAL A 284
ALA A 297
MET A 344
TYR A 346
LEU A 347
LEU A 396
IPW  A 601 (-4.0A)
IPW  A 601 ( 3.9A)
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.2A)
IPW  A 601 (-4.5A)
0.52A 4qmzA-5kbrA:
18.4
4qmzA-5kbrA:
42.62
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.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 ALA A 297
GLU A 315
MET A 319
LEU A 380
ARG A 388
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
None
0.88A 4qrcA-5kbrA:
22.3
4qrcA-5kbrA:
27.22
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.
4R7I_A_STIA1001_2
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 5 VAL A 328
VAL A 342
TYR A 346
ARG A 388
None
IPW  A 601 ( 4.4A)
IPW  A 601 (-4.5A)
None
0.73A 4r7iA-5kbrA:
21.2
4r7iA-5kbrA:
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.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 ALA A 297
GLU A 315
MET A 319
HIS A 387
LEU A 396
ASP A 407
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
None
1.04A 4tyjA-5kbrA:
22.1
4tyjA-5kbrA:
26.36
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
8 / 11 GLY A 279
VAL A 284
ALA A 297
TYR A 346
GLY A 350
ASN A 394
LEU A 396
ASP A 407
None
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
None
IPW  A 601 (-4.5A)
None
0.53A 4u5jA-5kbrA:
24.6
4u5jA-5kbrA:
26.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 ALA A 297
GLU A 315
MET A 319
LEU A 380
HIS A 387
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
None
0.79A 4v01B-5kbrA:
22.2
4v01B-5kbrA:
24.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 10 VAL A 284
LYS A 299
MET A 319
TYR A 346
ARG A 388
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
IPW  A 601 (-4.5A)
None
IPW  A 601 (-4.5A)
1.15A 4v04B-5kbrA:
22.0
4v04B-5kbrA:
24.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 ALA A 297
LYS A 299
MET A 319
GLY A 350
ASP A 354
LEU A 396
THR A 406
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
None
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.84A 4wkqA-5kbrA:
24.1
4wkqA-5kbrA:
25.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 ALA A 297
LYS A 299
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.49A 4xliA-5kbrA:
24.6
4xliA-5kbrA:
26.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XLI_B_1N1B600_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 ALA A 297
LYS A 299
MET A 319
VAL A 328
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.61A 4xliB-5kbrA:
24.3
4xliB-5kbrA:
26.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 ILE A 276
ALA A 297
LYS A 299
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.0A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.71A 5i9xA-5kbrA:
22.3
5i9xA-5kbrA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 ILE A 276
ALA A 297
LYS A 299
MET A 319
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.0A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.66A 5i9yA-5kbrA:
22.1
5i9yA-5kbrA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L17_A_ZMRA512_1
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.42A 5l17A-5kbrA:
undetectable
5l17A-5kbrA:
20.40
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.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 10 VAL A 284
ALA A 297
VAL A 328
MET A 344
TYR A 346
LEU A 396
THR A 406
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
None
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.77A 5n3hA-5kbrA:
26.6
5n3hA-5kbrA:
26.29
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.
5NWW_A_ACAA18_1
(SCRFP-TAG,GP41)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 ASN A 326
GLN A 375
LEU A 377
LEU A 374
GLU A 378
None
1.03A 5nwwA-5kbrA:
undetectable
5nwwA-5kbrA:
8.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 ALA A 297
GLU A 315
MET A 319
VAL A 328
GLY A 350
LEU A 396
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.61A 5te0A-5kbrA:
23.7
5te0A-5kbrA:
26.61
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.
5VC3_A_DB8A601_1
(WEE1-LIKE PROTEIN
KINASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 ILE A 276
GLY A 277
ALA A 297
GLU A 315
TYR A 346
GLY A 350
ASP A 407
IPW  A 601 (-4.0A)
IPW  A 601 ( 3.9A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
None
0.77A 5vc3A-5kbrA:
25.2
5vc3A-5kbrA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 9 ALA A 297
VAL A 328
MET A 344
GLY A 349
THR A 406
IPW  A 601 (-3.5A)
None
IPW  A 601 (-3.5A)
None
IPW  A 601 (-3.7A)
0.97A 5w5vA-5kbrA:
11.1
5w5vA-5kbrA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 9 ALA A 297
VAL A 328
MET A 344
GLY A 350
THR A 406
IPW  A 601 (-3.5A)
None
IPW  A 601 (-3.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-3.7A)
0.44A 5w5vA-5kbrA:
11.1
5w5vA-5kbrA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_A_1E8A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 GLY A 277
VAL A 284
ALA A 297
LYS A 299
LEU A 396
THR A 406
IPW  A 601 ( 3.9A)
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.53A 5yu9A-5kbrA:
21.6
5yu9A-5kbrA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 GLY A 277
VAL A 284
ALA A 297
ASP A 354
LEU A 396
THR A 406
IPW  A 601 ( 3.9A)
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
None
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.70A 5yu9B-5kbrA:
21.7
5yu9B-5kbrA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 GLY A 277
VAL A 284
ALA A 297
LYS A 299
LEU A 396
THR A 406
IPW  A 601 ( 3.9A)
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.61A 5yu9B-5kbrA:
21.7
5yu9B-5kbrA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 VAL A 284
ALA A 297
GLY A 350
ASP A 354
THR A 406
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 ( 3.8A)
None
IPW  A 601 (-3.7A)
0.68A 5yu9C-5kbrA:
21.4
5yu9C-5kbrA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
6 / 12 VAL A 284
ALA A 297
GLY A 350
ASP A 354
LEU A 396
THR A 406
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 ( 3.8A)
None
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.72A 5yu9D-5kbrA:
21.8
5yu9D-5kbrA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
TYR A 346
GLY A 350
LEU A 396
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
0.72A 6bsdA-5kbrA:
21.1
6bsdA-5kbrA:
13.48
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.
6G2P_A_TRPA502_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
4 / 7 TYR A 464
LEU A 473
VAL A 436
TRP A 448
None
0.91A 6g2pA-5kbrA:
undetectable
6g2pA-5kbrA:
22.82
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.
6HCX_A_ZMRA519_0
(NEURAMINIDASE)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
5 / 12 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.38A 6hcxA-5kbrA:
undetectable
6hcxA-5kbrA:
15.83
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.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
VAL A 328
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
None
1.08A 6hd4B-5kbrA:
21.3
6hd4B-5kbrA:
13.28
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.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo
sapiens)
7 / 12 VAL A 284
ALA A 297
GLU A 315
MET A 319
VAL A 328
LEU A 396
ASP A 407
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-3.9A)
IPW  A 601 (-4.1A)
None
IPW  A 601 (-4.5A)
None
1.08A 6hd6B-5kbrA:
21.3
6hd6B-5kbrA:
13.28