SIMILAR PATTERNS OF AMINO ACIDS FOR 4LMN_A_EUIA503_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1fzq ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
3

(Mus musculus) 		PF00025
(Arf) 		5 LEU A  63
ILE A  20
GLY A  60
SER A  58
LEU A   7
 None
 0.99A 4lmnA-1fzqA:
undetectable		 4lmnA-1fzqA:
20.53
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.
1iq0 ARGINYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 LEU A  43
LEU A  47
ILE A  54
GLY A  18
LEU A  14
 None
 1.04A 4lmnA-1iq0A:
undetectable		 4lmnA-1iq0A:
20.64
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.
1iuh 2'-5' RNA LIGASE

(Thermus
thermophilus) 		PF02834
(LigT_PEase) 		5 LEU A  17
LEU A 133
ILE A 131
GLY A  76
LEU A  74
 None
 1.03A 4lmnA-1iuhA:
undetectable		 4lmnA-1iuhA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9i ANNEXIN VI

(Homo sapiens) 		PF00191
(Annexin) 		5 LEU A 119
LEU A 115
ILE A 101
ASP A 145
LEU A 162
 None
 0.89A 4lmnA-1m9iA:
undetectable		 4lmnA-1m9iA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		5 LEU A  67
LEU A  71
ILE A  84
PHE A 219
GLY A 221
 None
 1.01A 4lmnA-1n31A:
undetectable		 4lmnA-1n31A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1odf HYPOTHETICAL 33.3
KDA PROTEIN IN
ADE3-SER2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A  83
LEU A  75
MET A 104
GLY A  97
LEU A  93
 None
 0.99A 4lmnA-1odfA:
undetectable		 4lmnA-1odfA:
24.12
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.
1og0 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Saccharomyces
cerevisiae) 		PF00793
(DAHP_synth_1) 		5 LEU A 122
LEU A 110
ILE A  78
PHE A 145
SER A 140
 None
 0.82A 4lmnA-1og0A:
undetectable		 4lmnA-1og0A:
22.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		12 LYS A 101
LEU A 119
LEU A 122
ILE A 145
MET A 147
ASN A 199
ASP A 212
PHE A 213
GLY A 214
SER A 216
LEU A 219
MET A 223
 ATP  A 535 ( 2.5A)
5EA  A1001 (-4.9A)
5EA  A1001 (-4.9A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 3.4A)
MG  A 536 (-2.8A)
MG  A 536 (-3.3A)
5EA  A1001 (-3.6A)
5EA  A1001 (-3.6A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.9A)
5EA  A1001 (-4.2A)
 0.44A 4lmnA-1s9iA:
33.0		 4lmnA-1s9iA:
82.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdf THIOREDOXIN
REDUCTASE

(Escherichia
coli) 		PF07992
(Pyr_redox_2) 		5 LEU A 222
LEU A 207
ILE A 174
GLY A 219
LEU A 234
 None
 0.92A 4lmnA-1tdfA:
undetectable		 4lmnA-1tdfA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tye INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 LEU B 246
LEU B 306
MET B 295
PHE B 308
LEU B 117
 None
 1.00A 4lmnA-1tyeB:
undetectable		 4lmnA-1tyeB:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukw ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		6 LEU A 141
LEU A 144
ILE A  86
ASP A 122
GLY A 124
LEU A 129
 None
 1.25A 4lmnA-1ukwA:
undetectable		 4lmnA-1ukwA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		5 LEU A 437
ASP A 446
GLY A 444
SER A 440
LEU A 388
 None
 1.01A 4lmnA-1v02A:
undetectable		 4lmnA-1v02A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5z MAJOR NAD(P)H-FLAVIN
OXIDOREDUCTASE

(Aliivibrio
fischeri) 		PF00881
(Nitroreductase) 		5 LEU A 189
ILE A  84
GLY A 192
SER A 161
LEU A 154
 None
 1.03A 4lmnA-1v5zA:
undetectable		 4lmnA-1v5zA:
20.00
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.
1zrz PROTEIN KINASE C,
IOTA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 LEU A 370
ILE A 353
PHE A 487
GLY A 431
LEU A 433
MET A 437
 None
 1.35A 4lmnA-1zrzA:
24.0		 4lmnA-1zrzA:
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.
2a1a INTERFERON-INDUCED,
DOUBLE-STRANDED
RNA-ACTIVATED
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		6 LYS B 296
ILE B 364
MET B 366
ASN B 419
ASP B 432
PHE B 433
 None
 1.31A 4lmnA-2a1aB:
21.4		 4lmnA-2a1aB:
26.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		5 LEU A 549
ILE A 353
MET A 352
ASN A 170
GLY A 380
 None
 0.92A 4lmnA-2b0tA:
undetectable		 4lmnA-2b0tA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bex RIBONUCLEASE
INHIBITOR

(Homo sapiens) 		PF13516
(LRR_6) 		5 LEU A  62
LEU A  67
ILE A  47
GLY A  38
LEU A  34
 None
 0.86A 4lmnA-2bexA:
undetectable		 4lmnA-2bexA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bnh RIBONUCLEASE
INHIBITOR

(Sus scrofa) 		PF13516
(LRR_6) 		5 LEU A  58
LEU A  63
ILE A  43
GLY A  34
LEU A  30
 None
 1.00A 4lmnA-2bnhA:
undetectable		 4lmnA-2bnhA:
22.42
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 LYS A 295
ILE A 336
ASN A 391
ASP A 404
PHE A 405
 H8H  A 534 (-3.7A)
H8H  A 534 ( 4.5A)
H8H  A 534 ( 4.9A)
H8H  A 534 (-4.2A)
None
 0.80A 4lmnA-2h8hA:
24.9		 4lmnA-2h8hA:
22.36
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 LYS A 295
ILE A 336
ASN A 391
PHE A 405
GLY A 406
 H8H  A 534 (-3.7A)
H8H  A 534 ( 4.5A)
H8H  A 534 ( 4.9A)
None
None
 0.87A 4lmnA-2h8hA:
24.9		 4lmnA-2h8hA:
22.36
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.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		7 LYS A 295
LEU A 325
ILE A 336
ASN A 391
ASP A 404
PHE A 405
GLY A 406
 None
 0.95A 4lmnA-2hckA:
25.0		 4lmnA-2hckA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ozo TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		5 LYS A 369
MET A 414
ASN A 466
ASP A 479
PHE A 480
 ANP  A 615 (-3.1A)
ANP  A 615 ( 3.9A)
ANP  A 615 ( 3.3A)
MG  A 614 ( 3.2A)
None
 0.71A 4lmnA-2ozoA:
23.8		 4lmnA-2ozoA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p5r GLUTATHIONE
PEROXIDASE 5

(Populus
trichocarpa x
Populus
deltoides) 		PF00255
(GSHPx) 		5 LEU A 115
LEU A 119
ILE A  37
GLY A 144
LEU A  27
 None
 1.02A 4lmnA-2p5rA:
undetectable		 4lmnA-2p5rA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		6 LYS A 181
LEU A 202
ILE A 230
MET A 232
ASN A 281
ASP A 293
 AXX  A 753 ( 4.3A)
None
None
AXX  A 753 (-3.6A)
None
AXX  A 753 ( 4.4A)
 0.95A 4lmnA-2pziA:
14.0		 4lmnA-2pziA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yv1 SUCCINYL-COA LIGASE
[ADP-FORMING]
SUBUNIT ALPHA

(Methanocaldococcus
jannaschii) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 LEU A 292
LEU A 288
ILE A 291
GLY A 154
SER A 152
 None
 0.89A 4lmnA-2yv1A:
undetectable		 4lmnA-2yv1A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yy8 UPF0106 PROTEIN
PH0461

(Pyrococcus
horikoshii) 		PF01994
(Trm56) 		5 LEU A 141
LEU A 138
ILE A 106
GLY A  29
LEU A 145
 None
 1.04A 4lmnA-2yy8A:
undetectable		 4lmnA-2yy8A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 LEU A  46
LEU A  54
ILE A 120
ASP A 123
GLY A  86
 None
AG3  A1001 ( 4.9A)
None
None
None
 1.02A 4lmnA-2zsuA:
undetectable		 4lmnA-2zsuA:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dxn CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE ISOFORM 3

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		5 MET A 100
ASN A 151
ASP A 167
PHE A 168
GLY A 169
 None
 0.73A 4lmnA-3dxnA:
27.4		 4lmnA-3dxnA:
27.40
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.
3feg CHOLINE/ETHANOLAMINE
KINASE

(Homo sapiens) 		PF01633
(Choline_kinase) 		6 LEU A 260
LEU A 262
ILE A 167
MET A 171
GLY A 246
LEU A 153
 None
 1.43A 4lmnA-3fegA:
6.3		 4lmnA-3fegA:
23.40
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.
3iv3 TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 2

(Streptococcus
mutans) 		PF01791
(DeoC) 		5 LEU A 204
LEU A 162
ILE A 164
ASN A 139
SER A 195
 None
 0.98A 4lmnA-3iv3A:
undetectable		 4lmnA-3iv3A:
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.
3jby V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Danio rerio) 		PF12940
(RAG1) 		5 LEU A 529
LEU A 530
ASN A 997
SER A1018
LEU A1021
 None
 0.86A 4lmnA-3jbyA:
undetectable		 4lmnA-3jbyA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jc7 DNA REPLICATION
COMPLEX GINS PROTEIN
PSF2

(Saccharomyces
cerevisiae) 		PF05916
(Sld5) 		5 LEU B 168
LEU B 170
ILE B 185
GLY B 159
LEU B 163
 None
 0.97A 4lmnA-3jc7B:
undetectable		 4lmnA-3jc7B:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jrk TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 2

(Streptococcus
pyogenes) 		PF01791
(DeoC) 		5 LEU A 200
LEU A 158
ILE A 160
ASN A 135
SER A 191
 None
 1.01A 4lmnA-3jrkA:
undetectable		 4lmnA-3jrkA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kex RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LYS A 723
ASN A 820
ASP A 833
PHE A 834
LEU A 839
 ANP  A   1 (-3.4A)
ANP  A   1 ( 2.6A)
MG  A1001 ( 3.1A)
None
None
 0.83A 4lmnA-3kexA:
24.0		 4lmnA-3kexA:
24.11
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.
3lm5 SERINE/THREONINE-PRO
TEIN KINASE 17B

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  84
ASN A 163
ASP A 179
PHE A 180
GLY A 181
LEU A  64
 QUE  A   1 ( 4.6A)
None
QUE  A   1 (-2.9A)
None
None
None
 1.27A 4lmnA-3lm5A:
23.5		 4lmnA-3lm5A:
26.42
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.
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LYS A 721
ASN A 818
ASP A 831
PHE A 832
GLY A 833
 ITI  A   1 (-2.6A)
None
ITI  A   1 ( 4.6A)
ITI  A   1 (-3.6A)
None
 0.92A 4lmnA-3lzbA:
24.5		 4lmnA-3lzbA:
23.42
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		6 LEU A 312
LEU A 299
ILE A 295
GLY A 372
LEU A 374
MET A 378
 None
 1.44A 4lmnA-3nyoA:
24.7		 4lmnA-3nyoA:
20.92
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.
3out GLUTAMATE RACEMASE

(Francisella
tularensis) 		PF01177
(Asp_Glu_race) 		5 LEU A  23
LEU A  27
ILE A   7
ASN A 219
SER A 209
 None
 0.83A 4lmnA-3outA:
undetectable		 4lmnA-3outA:
22.62
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.
3pls MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LYS A1114
ASN A1213
ASP A1226
PHE A1227
GLY A1228
 ANP  A1358 (-3.2A)
MG  A   1 ( 2.9A)
MG  A   1 ( 3.2A)
None
None
 0.98A 4lmnA-3plsA:
24.3		 4lmnA-3plsA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsr RIBONUCLEASE
INHIBITOR

(Mus musculus) 		PF13516
(LRR_6) 		5 LEU E  58
LEU E  63
ILE E  43
GLY E  34
LEU E  30
 None
None
None
EDO  E 459 ( 4.7A)
None
 0.93A 4lmnA-3tsrE:
undetectable		 4lmnA-3tsrE:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		5 LEU A 200
ILE A 186
GLY A 175
SER A 177
LEU A 180
 None
 1.03A 4lmnA-3v4yA:
undetectable		 4lmnA-3v4yA:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vn9 DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 LYS A  82
ILE A 127
MET A 129
ASN A 184
ASP A 197
 ANK  A 401 (-2.4A)
None
ANK  A 401 (-3.7A)
ANK  A 401 ( 2.7A)
MG  A 402 ( 2.8A)
 0.68A 4lmnA-3vn9A:
33.4		 4lmnA-3vn9A:
35.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		12 LYS A  98
LEU A 116
LEU A 119
ILE A 142
MET A 144
ASN A 196
ASP A 209
PHE A 210
GLY A 211
SER A 213
LEU A 216
MET A 220
 ANP  A 401 (-2.7A)
None
CHU  A 403 (-4.4A)
CHU  A 403 (-3.8A)
CHU  A 403 (-3.8A)
MG  A 402 ( 2.9A)
MG  A 402 (-3.2A)
CHU  A 403 (-3.8A)
CHU  A 403 ( 3.3A)
CHU  A 403 (-4.7A)
CHU  A 403 (-4.1A)
CHU  A 403 (-3.6A)
 0.42A 4lmnA-3wigA:
41.8		 4lmnA-3wigA:
90.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cv5 PROTEIN CAF40

(Saccharomyces
cerevisiae) 		PF04078
(Rcd1) 		5 LEU B 276
LEU B 272
ILE B 285
ASN B 297
LEU B 326
 None
 0.97A 4lmnA-4cv5B:
undetectable		 4lmnA-4cv5B:
21.69
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.
4cw7 PUTATIVE ADENYLATE
KINASE

(Pyrococcus
abyssi) 		PF13238
(AAA_18) 		5 LEU A  20
LEU A  24
ILE A   3
MET A   1
GLY A 149
 None
 0.80A 4lmnA-4cw7A:
undetectable		 4lmnA-4cw7A:
19.53
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.
4dd5 ACETYL-COA
ACETYLTRANSFERASE

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 LEU A 363
LEU A 367
ILE A  11
GLY A 378
LEU A 392
 None
 0.96A 4lmnA-4dd5A:
undetectable		 4lmnA-4dd5A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 5 LEU A 758
LEU A 727
ILE A 730
ASN A 689
LEU A 745
 None
 1.04A 4lmnA-4ecoA:
undetectable		 4lmnA-4ecoA:
20.68
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.
4fl3 TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		6 LYS A 402
MET A 448
ASN A 499
ASP A 512
GLY A 514
LEU A 519
 ANP  A 701 (-2.7A)
ANP  A 701 ( 3.7A)
MG  A 702 ( 3.0A)
MG  A 702 ( 3.1A)
None
None
 1.01A 4lmnA-4fl3A:
24.6		 4lmnA-4fl3A:
19.34
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.
4fl3 TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		6 LYS A 402
MET A 448
ASN A 499
ASP A 512
PHE A 513
GLY A 514
 ANP  A 701 (-2.7A)
ANP  A 701 ( 3.7A)
MG  A 702 ( 3.0A)
MG  A 702 ( 3.1A)
None
None
 0.72A 4lmnA-4fl3A:
24.6		 4lmnA-4fl3A:
19.34
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.
4g3f NF-KAPPA-BETA-INDUCI
NG KINASE

(Mus musculus) 		PF00069
(Pkinase) 		5 LEU A 443
LEU A 457
ILE A 469
ASN A 522
ASP A 536
 None
None
0WB  A 701 (-3.9A)
0WB  A 701 (-4.1A)
0WB  A 701 (-3.1A)
 0.95A 4lmnA-4g3fA:
24.7		 4lmnA-4g3fA:
24.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h6w N-TERMINAL
CYANOBACTIN PROTEASE

(Planktothrix
agardhii) 		PF00082
(Peptidase_S8) 		5 LEU A  10
LEU A   7
ILE A 279
GLY A 229
LEU A 234
 None
 1.02A 4lmnA-4h6wA:
undetectable		 4lmnA-4h6wA:
22.22
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.
4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 365
ILE A 385
ASN A 704
GLY A 643
LEU A 637
 None
 1.02A 4lmnA-4hwtA:
undetectable		 4lmnA-4hwtA:
22.86
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.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		5 LYS A 158
ASN A 257
ASP A 270
PHE A 271
GLY A 272
 None
 0.84A 4lmnA-4hzsA:
23.4		 4lmnA-4hzsA:
25.75
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.
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		6 LYS A 295
ILE A 336
ASN A 391
ASP A 404
PHE A 405
GLY A 406
 0J9  A 601 ( 4.7A)
0J9  A 601 (-4.4A)
None
0J9  A 601 (-3.1A)
None
None
 0.58A 4lmnA-4k11A:
25.0		 4lmnA-4k11A:
21.34
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.
4kgb SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Drosophila
melanogaster) 		PF01144
(CoA_trans) 		5 LEU A  96
LEU A  71
ILE A  79
PHE A 203
LEU A  93
 None
 1.00A 4lmnA-4kgbA:
undetectable		 4lmnA-4kgbA:
20.36
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.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A  81
ASN A 161
ASP A 175
PHE A 176
GLY A 177
 None
None
1UL  A 501 (-4.2A)
None
None
 0.98A 4lmnA-4l52A:
24.3		 4lmnA-4l52A:
28.57
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.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A  81
MET A 104
ASN A 161
PHE A 176
GLY A 177
 None
1UL  A 501 (-3.6A)
None
None
None
 0.89A 4lmnA-4l52A:
24.3		 4lmnA-4l52A:
28.57
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.
4m69 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		5 LYS A  51
ASN A 148
ASP A 161
PHE A 162
GLY A 163
 ANP  A 401 (-2.9A)
MG  A 403 ( 2.6A)
MG  A 403 ( 3.1A)
None
None
 0.48A 4lmnA-4m69A:
25.5		 4lmnA-4m69A:
27.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 LEU A 121
LEU A 125
ILE A 129
SER A 169
LEU A 172
 None
 0.81A 4lmnA-4nnbA:
undetectable		 4lmnA-4nnbA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 LEU A 359
LEU A 363
ILE A   6
GLY A 374
LEU A 388
 None
 0.98A 4lmnA-4o99A:
undetectable		 4lmnA-4o99A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ow8 SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		5 LYS A  42
MET A  95
ASN A 146
ASP A 159
GLY A 161
 None
 0.90A 4lmnA-4ow8A:
24.7		 4lmnA-4ow8A:
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.
4peq RIBONUCLEASE/ANGIOGE
NIN INHIBITOR 1

(Bos taurus) 		PF13516
(LRR_6) 		5 LEU B  58
LEU B  63
ILE B  43
GLY B  34
LEU B  30
 None
 0.89A 4lmnA-4peqB:
undetectable		 4lmnA-4peqB:
23.01
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 LYS A 427
LEU A 314
LEU A 436
GLY A 270
SER A 264
 None
 0.90A 4lmnA-4qi4A:
undetectable		 4lmnA-4qi4A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r0c ABGT PUTATIVE
TRANSPORTER FAMILY

(Alcanivorax
borkumensis) 		PF03806
(ABG_transport) 		5 LEU A 379
LEU A 480
ILE A 484
PHE A 208
SER A 421
 None
 1.02A 4lmnA-4r0cA:
undetectable		 4lmnA-4r0cA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		6 LEU A 444
ILE A 240
ASN A 354
PHE A 439
GLY A 438
LEU A 425
 None
 1.38A 4lmnA-4rcnA:
2.3		 4lmnA-4rcnA:
14.69
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.
4rnh MOTILITY REGULATOR

(Pseudomonas
aeruginosa) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 LEU A1297
LEU A1300
ILE A1307
ASN A1248
LEU A1286
 None
None
None
C2E  A1503 ( 2.8A)
None
 0.96A 4lmnA-4rnhA:
undetectable		 4lmnA-4rnhA:
21.68
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.
4rni MOTILITY REGULATOR

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		5 LEU A 147
LEU A 150
ILE A 157
ASN A  98
LEU A 136
 None
 0.90A 4lmnA-4rniA:
undetectable		 4lmnA-4rniA:
24.86
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.
4s3o E3 UBIQUITIN-PROTEIN
LIGASE RING2
POLYCOMB GROUP RING
FINGER PROTEIN 5

(Homo sapiens) 		PF13923
(zf-C3HC4_2) 		6 LEU B  45
LEU B  49
ILE B 113
ASN B 105
PHE B 106
LEU C  82
 None
 1.35A 4lmnA-4s3oB:
undetectable		 4lmnA-4s3oB:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wrw URACIL-DNA
GLYCOSYLASE

(Mycobacterium
tuberculosis) 		PF03167
(UDG) 		5 LEU A  63
ILE A 153
MET A 178
GLY A  66
LEU A 126
 None
None
None
GOL  A 307 (-3.5A)
None
 0.91A 4lmnA-4wrwA:
undetectable		 4lmnA-4wrwA:
21.57
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.
4xi2 TYROSINE-PROTEIN
KINASE BTK

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		6 ILE A 472
ASN A 526
ASP A 539
PHE A 540
GLY A 541
MET A 437
 None
 1.31A 4lmnA-4xi2A:
24.9		 4lmnA-4xi2A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0x SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16919
(PknG_rubred) 		5 LYS A 181
LEU A 202
ILE A 230
MET A 232
ASN A 281
 ADP  A 501 (-2.7A)
None
None
ADP  A 501 (-3.3A)
MG  A 503 ( 2.9A)
 0.92A 4lmnA-4y0xA:
18.7		 4lmnA-4y0xA:
20.97
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.
4yc6 CYCLIN-DEPENDENT
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  66
ASN A 133
ASP A 146
PHE A 147
GLY A 148
 None
 0.97A 4lmnA-4yc6A:
16.9		 4lmnA-4yc6A:
29.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yc6 CYCLIN-DEPENDENT
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LYS A  33
ASN A 133
ASP A 146
PHE A 147
GLY A 148
 None
 0.95A 4lmnA-4yc6A:
16.9		 4lmnA-4yc6A:
29.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6

(Saccharomyces
cerevisiae) 		PF09295
(ChAPs) 		6 LEU B 678
LEU B 653
ASN B 191
PHE B 695
LEU B 700
MET B 733
 None
None
EPE  B 801 (-4.9A)
EPE  B 801 ( 4.5A)
None
None
 1.36A 4lmnA-4yg8B:
undetectable		 4lmnA-4yg8B:
16.62
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 LEU A 616
ILE A 642
ASN A 693
ASP A 711
PHE A 712
 None
 0.91A 4lmnA-4z7gA:
18.7		 4lmnA-4z7gA:
24.59
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.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 LEU B  79
ILE B  41
ASN B  17
GLY B   5
LEU B  86
 None
 0.94A 4lmnA-4zktB:
undetectable		 4lmnA-4zktB:
13.69
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.
5ci7 SERINE/THREONINE-PRO
TEIN KINASE ULK1

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  90
LEU A  67
ASN A 143
ASP A 165
GLY A 167
LEU A  60
 None
None
GOL  A 404 ( 4.6A)
GOL  A 404 (-3.2A)
None
None
 1.33A 4lmnA-5ci7A:
19.0		 4lmnA-5ci7A:
26.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  73
ASN A 158
ASP A 171
PHE A 172
GLY A 173
 LEU  A  73 ( 0.6A)
ASN  A 158 ( 0.6A)
ASP  A 171 ( 0.5A)
PHE  A 172 ( 1.3A)
GLY  A 173 ( 0.0A)
 0.72A 4lmnA-5d7aA:
29.6		 4lmnA-5d7aA:
30.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 MET A 105
ASN A 158
ASP A 171
PHE A 172
GLY A 173
 MET  A 105 (-0.0A)
ASN  A 158 ( 0.6A)
ASP  A 171 ( 0.5A)
PHE  A 172 ( 1.3A)
GLY  A 173 ( 0.0A)
 1.00A 4lmnA-5d7aA:
29.6		 4lmnA-5d7aA:
30.98
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.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		5 LEU A 294
LEU A 290
ILE A 492
ASN A 344
GLY A 338
 None
 0.90A 4lmnA-5dztA:
2.7		 4lmnA-5dztA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fv0 ESSC

(Geobacillus
thermodenitrificans) 		PF01580
(FtsK_SpoIIIE) 		5 LEU A1341
ILE A1394
MET A1398
GLY A1310
LEU A1337
 None
 0.84A 4lmnA-5fv0A:
undetectable		 4lmnA-5fv0A:
21.84
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.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 171
LEU A 168
ILE A 142
ASN A 214
LEU A 153
 None
 1.02A 4lmnA-5gmhA:
undetectable		 4lmnA-5gmhA:
18.27
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.
5hjl TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Streptococcus
porcinus) 		PF01791
(DeoC) 		5 LEU A 203
LEU A 161
ILE A 163
ASN A 138
SER A 194
 None
 0.99A 4lmnA-5hjlA:
undetectable		 4lmnA-5hjlA:
23.93
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 LEU A 746
LEU A 462
ILE A 779
GLY A 732
LEU A 723
 None
 1.02A 4lmnA-5hy7A:
undetectable		 4lmnA-5hy7A:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		6 LYS A  79
ILE A 128
MET A 130
ASN A 185
ASP A 198
PHE A 199
 IDV  A 401 ( 4.8A)
None
IDV  A 401 (-3.4A)
IDV  A 401 (-4.1A)
IDV  A 401 (-4.0A)
None
 1.19A 4lmnA-5i3oA:
23.0		 4lmnA-5i3oA:
27.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		6 LEU A 168
LEU A 152
ILE A 155
PHE A 106
GLY A 173
LEU A 171
 None
None
MPD  A 807 ( 4.9A)
None
None
None
 1.15A 4lmnA-5kqiA:
undetectable		 4lmnA-5kqiA:
17.66
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.
5m09 SERINE/THREONINE-PRO
TEIN KINASE PKNI

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		7 LYS A  41
ILE A  87
MET A  89
ASN A 142
ASP A 159
GLY A 161
MET A  47
 None
 1.04A 4lmnA-5m09A:
21.6		 4lmnA-5m09A:
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.
5mc7 COATOMER SUBUNIT
ZETA-1

(Homo sapiens) 		PF01217
(Clat_adaptor_s) 		5 LEU A 114
ILE A  18
PHE A 122
GLY A 120
LEU A 101
 None
 1.03A 4lmnA-5mc7A:
undetectable		 4lmnA-5mc7A:
19.57
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.
5mux 2-METHYLCITRATE
DEHYDRATASE

(Bacillus
subtilis) 		no annotation 5 LEU A 261
LEU A 265
ILE A  11
ASN A 108
GLY A 148
 None
 0.86A 4lmnA-5muxA:
undetectable		 4lmnA-5muxA:
14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nmw FLAVIN-CONTAINING
MONOOXYGENASE

(Zonocerus
variegatus) 		no annotation 5 LEU A 188
ILE A 255
GLY A 191
SER A 213
LEU A 234
 None
 1.03A 4lmnA-5nmwA:
undetectable		 4lmnA-5nmwA:
14.59
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.
5u63 THIOREDOXIN
REDUCTASE

(Haemophilus
influenzae) 		PF07992
(Pyr_redox_2) 		5 LEU A 223
LEU A 208
ILE A 175
GLY A 220
LEU A 234
 None
 0.86A 4lmnA-5u63A:
undetectable		 4lmnA-5u63A:
19.51
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.
5usx THIOREDOXIN
REDUCTASE

(Vibrio
vulnificus) 		PF07992
(Pyr_redox_2) 		5 LEU A 223
LEU A 208
ILE A 175
GLY A 220
LEU A 234
 None
 0.99A 4lmnA-5usxA:
undetectable		 4lmnA-5usxA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wly UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Escherichia
coli) 		no annotation 5 LEU A  36
LEU A   4
ILE A   6
GLY A  28
LEU A  26
 None
 1.02A 4lmnA-5wlyA:
undetectable		 4lmnA-5wlyA:
12.61
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.
5wno RECEPTOR
TYROSINE-PROTEIN
KINASE LET-23

(Caenorhabditis
elegans) 		no annotation 6 LYS A 919
ILE A 961
ASN A1015
ASP A1028
PHE A1029
GLY A1030
 ANP  A1201 (-3.8A)
None
MG  A1202 ( 2.9A)
MG  A1202 ( 3.0A)
None
None
 0.67A 4lmnA-5wnoA:
24.4		 4lmnA-5wnoA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyi UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00163
(Ribosomal_S4)
PF01479
(S4) 		5 LEU J  97
LEU J 102
ILE J  50
GLY J  82
LEU J  84
 None
 0.98A 4lmnA-5xyiJ:
undetectable		 4lmnA-5xyiJ:
22.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		no annotation 6 LYS A  56
ILE A  97
MET A  99
ASN A 151
ASP A 164
PHE A 165
 ANP  A 501 (-2.4A)
None
ANP  A 501 (-2.5A)
ANP  A 501 ( 2.6A)
MG  A 502 ( 3.1A)
None
 0.59A 4lmnA-6ao5A:
28.3		 4lmnA-6ao5A:
30.68
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.
6arr ACETYL-COA
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		no annotation 5 LEU A 364
LEU A 368
ILE A   9
GLY A 379
LEU A 393
 None
 1.02A 4lmnA-6arrA:
undetectable		 4lmnA-6arrA:
11.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 281
ILE A 249
ASP A  30
GLY A 276
LEU A 272
 None
 0.85A 4lmnA-6b5eA:
undetectable		 4lmnA-6b5eA:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dex SUPPRESSOR OF
HYDROXYUREA
SENSITIVITY PROTEIN
1

(Eremothecium
gossypii) 		no annotation 5 LEU A  78
LEU A  81
ILE A 125
GLY A 103
LEU A 108
 None
 0.87A 4lmnA-6dexA:
undetectable		 4lmnA-6dexA:
13.58
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 LEU A 341
LEU A 337
MET A 393
GLY A 353
LEU A 472
 None
 1.02A 4lmnA-6f74A:
undetectable		 4lmnA-6f74A:
10.88