SIMILAR PATTERNS OF AMINO ACIDS FOR 1KNY_A_KANA558

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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 SER A 477
ASP A 476
GLU A 350
GLU A 343
 None
 1.05A 1knyA-1b2hA:
0.4
1knyB-1b2hA:
0.4		 1knyA-1b2hA:
18.04
1knyB-1b2hA:
18.04
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.
1cs1 PROTEIN
(CYSTATHIONINE
GAMMA-SYNTHASE)

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		4 SER A 204
ASP A 205
GLU A 331
GLU A 367
 None
 1.20A 1knyA-1cs1A:
0.0
1knyB-1cs1A:
0.0		 1knyA-1cs1A:
20.16
1knyB-1cs1A:
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.
1d8c MALATE SYNTHASE G

(Escherichia
coli) 		PF01274
(Malate_synthase) 		4 ASP A 273
GLU A 428
GLU A 427
GLU A 398
 MG  A3001 ( 4.9A)
None
MG  A3001 ( 2.6A)
None
 1.21A 1knyA-1d8cA:
0.0
1knyB-1d8cA:
0.0		 1knyA-1d8cA:
16.76
1knyB-1d8cA:
16.76
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		4 ASP A 119
GLU A 278
GLU A  81
GLU A 289
 NAD  A 400 (-3.1A)
NAD  A 400 ( 4.8A)
NAD  A 400 (-2.8A)
None
 1.15A 1knyA-1dqsA:
0.0
1knyB-1dqsA:
0.0		 1knyA-1dqsA:
20.05
1knyB-1dqsA:
20.05
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.
1g0i INOSITOL
MONOPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF00459
(Inositol_P) 		4 SER A  28
GLU A  41
GLU A  66
GLU A  65
 None
None
None
MN  A 291 (-2.1A)
 0.99A 1knyA-1g0iA:
0.0
1knyB-1g0iA:
0.0		 1knyA-1g0iA:
24.40
1knyB-1g0iA:
24.40
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.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		4 GLU A 103
GLU A 100
GLU A 101
GLU A 105
 None
 1.11A 1knyA-1l8tA:
1.6
1knyB-1l8tA:
0.0		 1knyA-1l8tA:
21.26
1knyB-1l8tA:
21.26
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.
1lr1 DNA-BINDING PROTEIN
H-NS

(Escherichia
coli) 		no annotation 4 GLU A  26
GLU A  23
GLU A  27
GLU A  30
 None
 1.16A 1knyA-1lr1A:
undetectable
1knyB-1lr1A:
undetectable		 1knyA-1lr1A:
12.56
1knyB-1lr1A:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m5y SURVIVAL PROTEIN
SURA

(Escherichia
coli) 		PF00639
(Rotamase)
PF09312
(SurA_N)
PF13616
(Rotamase_3) 		4 SER A 261
GLU A 408
GLU A 409
GLU A 416
 None
 1.03A 1knyA-1m5yA:
0.0
1knyB-1m5yA:
undetectable		 1knyA-1m5yA:
20.19
1knyB-1m5yA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r66 TDP-GLUCOSE-4,6-DEHY
DRATASE

(Streptomyces
venezuelae) 		PF16363
(GDP_Man_Dehyd) 		4 SER A 138
ASP A 284
GLU A 247
GLU A 216
 None
 1.01A 1knyA-1r66A:
0.0
1knyB-1r66A:
0.0		 1knyA-1r66A:
22.38
1knyB-1r66A:
22.38
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 ASP A 667
GLU A 603
GLU A 592
GLU A 444
 None
 1.16A 1knyA-1ry2A:
undetectable
1knyB-1ry2A:
undetectable		 1knyA-1ry2A:
16.19
1knyB-1ry2A:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vmg HYPOTHETICAL PROTEIN
SSO3215

(Sulfolobus
solfataricus) 		PF03819
(MazG) 		4 GLU A  38
GLU A  34
GLU A  54
GLU A  53
 None
None
LI  A  84 (-2.6A)
None
 1.12A 1knyA-1vmgA:
undetectable
1knyB-1vmgA:
undetectable		 1knyA-1vmgA:
19.28
1knyB-1vmgA:
19.28
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.
1w66 LIPOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF03099
(BPL_LplA_LipB) 		4 SER A 179
ASP A 180
GLU A  63
GLU A  60
 None
 1.07A 1knyA-1w66A:
undetectable
1knyB-1w66A:
undetectable		 1knyA-1w66A:
19.24
1knyB-1w66A:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 SER A 190
ASP A 210
GLU A 166
GLU A 203
 None
 0.98A 1knyA-1wn1A:
undetectable
1knyB-1wn1A:
undetectable		 1knyA-1wn1A:
21.14
1knyB-1wn1A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x5q LAP4 PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 SER A 108
GLU A  14
GLU A 104
GLU A  13
 None
 1.21A 1knyA-1x5qA:
undetectable
1knyB-1x5qA:
undetectable		 1knyA-1x5qA:
21.36
1knyB-1x5qA:
21.36
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.
1xfu CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA)
PF07737
(ATLF) 		4 SER A 242
ASP A 180
GLU A 216
GLU A 133
 None
 0.95A 1knyA-1xfuA:
3.4
1knyB-1xfuA:
undetectable		 1knyA-1xfuA:
15.75
1knyB-1xfuA:
15.75
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.
1xv2 HYPOTHETICAL
PROTEIN, SIMILAR TO
ALPHA-ACETOLACTATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF03306
(AAL_decarboxy) 		4 ASP A 222
GLU A 228
GLU A 229
GLU A 232
 None
 1.20A 1knyA-1xv2A:
undetectable
1knyB-1xv2A:
undetectable		 1knyA-1xv2A:
22.10
1knyB-1xv2A:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z6o FERRITIN HEAVY CHAIN

(Trichoplusia ni) 		PF00210
(Ferritin) 		4 GLU M  66
GLU M 152
GLU M 116
GLU M  67
 None
None
None
FE  M 300 (-2.5A)
 1.20A 1knyA-1z6oM:
2.3
1knyB-1z6oM:
3.4		 1knyA-1z6oM:
21.53
1knyB-1z6oM:
21.53
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.
2d7u ADENYLOSUCCINATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00709
(Adenylsucc_synt) 		4 GLU A 311
GLU A 314
GLU A 310
GLU A 307
 None
 1.20A 1knyA-2d7uA:
undetectable
1knyB-2d7uA:
undetectable		 1knyA-2d7uA:
21.71
1knyB-2d7uA:
21.71
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.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		4 GLU A  42
GLU A 313
GLU A  84
GLU A  86
 None
K  A 511 (-3.6A)
None
K  A 511 (-2.6A)
 1.08A 1knyA-2i2xA:
undetectable
1knyB-2i2xA:
undetectable		 1knyA-2i2xA:
19.35
1knyB-2i2xA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 SER A 852
ASP A 548
GLU A 775
GLU A 840
 None
 1.16A 1knyA-2iujA:
0.8
1knyB-2iujA:
1.0		 1knyA-2iujA:
14.82
1knyB-2iujA:
14.82
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.
2q5z HYPOTHETICAL PROTEIN

(Vibrio sp.
DAT722) 		PF03819
(MazG) 		4 ASP A  14
GLU A  30
GLU A  57
GLU A  33
 GOL  A 601 (-3.1A)
MG  A 501 (-3.0A)
None
MG  A 501 (-3.2A)
 1.18A 1knyA-2q5zA:
undetectable
1knyB-2q5zA:
undetectable		 1knyA-2q5zA:
17.79
1knyB-2q5zA:
17.79
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.
2q9l HYPOTHETICAL PROTEIN

(Vibrio sp.
DAT722) 		PF03819
(MazG) 		4 ASP A  14
GLU A  30
GLU A  57
GLU A  33
 None
MG  A 501 (-3.0A)
None
MG  A 501 (-3.2A)
 1.20A 1knyA-2q9lA:
undetectable
1knyB-2q9lA:
undetectable		 1knyA-2q9lA:
17.48
1knyB-2q9lA:
17.48
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.
2wry INTERLEUKIN-1BETA

(Gallus gallus) 		PF00340
(IL1) 		4 SER A 102
ASP A 101
GLU A 104
GLU A  92
 None
 1.10A 1knyA-2wryA:
undetectable
1knyB-2wryA:
undetectable		 1knyA-2wryA:
21.88
1knyB-2wryA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		4 SER A 779
ASP A 778
GLU A 736
GLU A 737
 None
 1.20A 1knyA-2x0sA:
2.4
1knyB-2x0sA:
undetectable		 1knyA-2x0sA:
14.08
1knyB-2x0sA:
14.08
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		4 SER A 489
ASP A 549
GLU A 486
GLU A 482
 None
 1.10A 1knyA-2xsgA:
undetectable
1knyB-2xsgA:
undetectable		 1knyA-2xsgA:
15.09
1knyB-2xsgA:
15.09
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.
2xsz RUVB-LIKE 1

(Homo sapiens) 		PF06068
(TIP49) 		4 GLU A 342
GLU A 339
GLU A 343
GLU A 346
 None
 1.08A 1knyA-2xszA:
undetectable
1knyB-2xszA:
undetectable		 1knyA-2xszA:
21.49
1knyB-2xszA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsz RUVB-LIKE 1

(Homo sapiens) 		PF06068
(TIP49) 		4 SER A 335
ASP A 334
GLU A 337
GLU A 300
 None
 0.91A 1knyA-2xszA:
undetectable
1knyB-2xszA:
undetectable		 1knyA-2xszA:
21.49
1knyB-2xszA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bq8 SENSOR PROTEIN PHOQ

(Escherichia
coli) 		PF08918
(PhoQ_Sensor) 		4 GLU A 123
GLU A 154
GLU A 184
GLU A 121
 None
 1.20A 1knyA-3bq8A:
undetectable
1knyB-3bq8A:
undetectable		 1knyA-3bq8A:
18.35
1knyB-3bq8A:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ccq 50S RIBOSOMAL
PROTEIN L4P

(Haloarcula
marismortui) 		PF00573
(Ribosomal_L4) 		4 SER C 197
ASP C 198
GLU C 242
GLU C 245
 None
 1.19A 1knyA-3ccqC:
undetectable
1knyB-3ccqC:
undetectable		 1knyA-3ccqC:
21.82
1knyB-3ccqC:
21.82
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.
3d36 SPORULATION KINASE B

(Geobacillus
stearothermophilus) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		4 SER A 391
GLU A 310
GLU A 269
GLU A 312
 None
 1.09A 1knyA-3d36A:
undetectable
1knyB-3d36A:
undetectable		 1knyA-3d36A:
20.49
1knyB-3d36A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 ASP A 212
GLU A 177
GLU A  52
GLU A 132
 None
ONL  A 800 (-3.4A)
None
ONL  A 800 (-4.8A)
 1.06A 1knyA-3dlaA:
undetectable
1knyB-3dlaA:
undetectable		 1knyA-3dlaA:
15.97
1knyB-3dlaA:
15.97
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.
3e3a POSSIBLE PEROXIDASE
BPOC

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		4 SER A 152
ASP A 210
GLU A 244
GLU A 247
 None
 1.14A 1knyA-3e3aA:
undetectable
1knyB-3e3aA:
undetectable		 1knyA-3e3aA:
22.48
1knyB-3e3aA:
22.48
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.
3ebw PER A 4 ALLERGEN

(Periplaneta
americana) 		PF08212
(Lipocalin_2) 		4 ASP A 153
GLU A 155
GLU A  26
GLU A  35
 None
None
PE4  A5747 (-3.3A)
PE4  A5747 (-3.5A)
 1.16A 1knyA-3ebwA:
undetectable
1knyB-3ebwA:
undetectable		 1knyA-3ebwA:
21.88
1knyB-3ebwA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evn OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
agalactiae) 		PF01408
(GFO_IDH_MocA) 		4 SER A 185
GLU A 123
GLU A 282
GLU A  97
 None
 1.20A 1knyA-3evnA:
undetectable
1knyB-3evnA:
undetectable		 1knyA-3evnA:
20.53
1knyB-3evnA:
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.
3fj7 MAJOR ANTIGENIC
PEPTIDE PEB3

(Campylobacter
jejuni) 		PF13531
(SBP_bac_11) 		4 SER A  74
ASP A  75
GLU A 145
GLU A 131
 None
 1.17A 1knyA-3fj7A:
undetectable
1knyB-3fj7A:
undetectable		 1knyA-3fj7A:
23.48
1knyB-3fj7A:
23.48
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.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		4 ASP A  87
GLU A 349
GLU A  60
GLU A 381
 None
 1.20A 1knyA-3foaA:
undetectable
1knyB-3foaA:
undetectable		 1knyA-3foaA:
17.77
1knyB-3foaA:
17.77
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 SER A 283
GLU A 285
GLU A 448
GLU A 444
 None
 1.17A 1knyA-3iv0A:
undetectable
1knyB-3iv0A:
undetectable		 1knyA-3iv0A:
17.90
1knyB-3iv0A:
17.90
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		4 ASP U  87
GLU U 349
GLU U  60
GLU U 381
 None
 1.19A 1knyA-3j2nU:
undetectable
1knyB-3j2nU:
undetectable		 1knyA-3j2nU:
16.61
1knyB-3j2nU:
16.61
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.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 4 SER A 382
ASP A 383
GLU A 375
GLU A 309
 None
 1.04A 1knyA-3kwlA:
undetectable
1knyB-3kwlA:
undetectable		 1knyA-3kwlA:
18.08
1knyB-3kwlA:
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.
3lzx FERREDOXIN--NADP
REDUCTASE 2

(Bacillus
subtilis) 		PF07992
(Pyr_redox_2) 		4 ASP A 147
GLU A 107
GLU A  87
GLU A 108
 None
 1.15A 1knyA-3lzxA:
undetectable
1knyB-3lzxA:
undetectable		 1knyA-3lzxA:
23.77
1knyB-3lzxA:
23.77
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.
3mln TRANSCRIPTION FACTOR
COE1

(Mus musculus) 		PF16422
(COE1_DBD) 		4 SER A 178
ASP A 179
GLU A  94
GLU A 149
 None
 1.20A 1knyA-3mlnA:
undetectable
1knyB-3mlnA:
undetectable		 1knyA-3mlnA:
20.22
1knyB-3mlnA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		4 ASP A 219
GLU A 183
GLU A 188
GLU A 128
 MG  A 278 (-2.8A)
None
GOL  A 279 (-2.6A)
GOL  A 279 (-2.9A)
 1.17A 1knyA-3niwA:
undetectable
1knyB-3niwA:
undetectable		 1knyA-3niwA:
22.52
1knyB-3niwA:
22.52
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.
3o6q STAGE II SPORULATION
PROTEIN SA

(Bacillus
subtilis) 		PF14171
(SpoIISA_toxin) 		4 GLU A 105
GLU A 108
GLU A 104
GLU A 101
 None
 1.11A 1knyA-3o6qA:
undetectable
1knyB-3o6qA:
undetectable		 1knyA-3o6qA:
22.67
1knyB-3o6qA:
22.67
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.
3pnx PUTATIVE
SULFURTRANSFERASE
DSRE

(Syntrophomonas
wolfei) 		PF13686
(DrsE_2) 		4 SER A 104
ASP A 105
GLU A  72
GLU A  51
 None
 1.15A 1knyA-3pnxA:
undetectable
1knyB-3pnxA:
undetectable		 1knyA-3pnxA:
19.92
1knyB-3pnxA:
19.92
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.
3pxv NITROREDUCTASE

(Desulfitobacterium
hafniense) 		PF00881
(Nitroreductase) 		4 SER A 142
GLU A  64
GLU A  60
GLU A 148
 None
 1.18A 1knyA-3pxvA:
undetectable
1knyB-3pxvA:
undetectable		 1knyA-3pxvA:
21.35
1knyB-3pxvA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pzl AGMATINE
UREOHYDROLASE

(Thermoplasma
volcanium) 		PF00491
(Arginase) 		4 SER A 147
GLU A 188
GLU A 187
GLU A 190
 None
 1.15A 1knyA-3pzlA:
undetectable
1knyB-3pzlA:
undetectable		 1knyA-3pzlA:
22.22
1knyB-3pzlA:
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.
3qao MERR-LIKE
TRANSCRIPTIONAL
REGULATOR

(Listeria
monocytogenes) 		PF07739
(TipAS)
PF13411
(MerR_1) 		4 ASP A 122
GLU A 131
GLU A 129
GLU A 130
 None
 0.87A 1knyA-3qaoA:
undetectable
1knyB-3qaoA:
undetectable		 1knyA-3qaoA:
22.70
1knyB-3qaoA:
22.70
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.
3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)

(Mycobacterium
ulcerans) 		PF01053
(Cys_Met_Meta_PP) 		4 SER A 214
ASP A 215
GLU A 341
GLU A 374
 None
 1.12A 1knyA-3qi6A:
undetectable
1knyB-3qi6A:
undetectable		 1knyA-3qi6A:
20.88
1knyB-3qi6A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		4 SER A 547
GLU A 524
GLU A 521
GLU A 491
 None
 0.71A 1knyA-3s1sA:
undetectable
1knyB-3s1sA:
undetectable		 1knyA-3s1sA:
14.87
1knyB-3s1sA:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 422
ASP A 423
GLU A 467
GLU A 811
 None
 0.77A 1knyA-3s9vA:
2.5
1knyB-3s9vA:
2.5		 1knyA-3s9vA:
15.64
1knyB-3s9vA:
15.64
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.
3swg UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF00275
(EPSP_synthase) 		4 SER A  28
ASP A 238
GLU A 410
GLU A 409
 None
 1.17A 1knyA-3swgA:
undetectable
1knyB-3swgA:
undetectable		 1knyA-3swgA:
20.84
1knyB-3swgA:
20.84
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.
3swg UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF00275
(EPSP_synthase) 		4 SER A  28
GLU A 406
GLU A 410
GLU A 409
 None
 1.13A 1knyA-3swgA:
undetectable
1knyB-3swgA:
undetectable		 1knyA-3swgA:
20.84
1knyB-3swgA:
20.84
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.
3tj7 GBAA_1210 PROTEIN

(Bacillus
anthracis) 		PF01928
(CYTH) 		4 SER A 138
GLU A 149
GLU A 125
GLU A 151
 None
 1.09A 1knyA-3tj7A:
undetectable
1knyB-3tj7A:
undetectable		 1knyA-3tj7A:
20.69
1knyB-3tj7A:
20.69
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.
3tth SPERMIDINE
N1-ACETYLTRANSFERASE

(Coxiella
burnetii) 		PF13302
(Acetyltransf_3) 		4 GLU A  86
GLU A  77
GLU A  57
GLU A  74
 None
 1.18A 1knyA-3tthA:
undetectable
1knyB-3tthA:
undetectable		 1knyA-3tthA:
21.26
1knyB-3tthA:
21.26
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.
3v6a APOPTOSIS INHIBITOR
5

(Homo sapiens) 		PF05918
(API5) 		4 ASP A 185
GLU A 189
GLU A 190
GLU A 149
 None
 1.06A 1knyA-3v6aA:
undetectable
1knyB-3v6aA:
2.3		 1knyA-3v6aA:
19.39
1knyB-3v6aA:
19.39
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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 SER D 340
ASP D 353
GLU D 342
GLU A 466
 None
 1.20A 1knyA-3w3aD:
undetectable
1knyB-3w3aD:
undetectable		 1knyA-3w3aD:
20.87
1knyB-3w3aD:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zi1 GLYOXALASE
DOMAIN-CONTAINING
PROTEIN 4

(Homo sapiens) 		no annotation 4 ASP A  64
GLU A  63
GLU A  70
GLU A  35
 None
 1.12A 1knyA-3zi1A:
undetectable
1knyB-3zi1A:
undetectable		 1knyA-3zi1A:
23.82
1knyB-3zi1A:
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.
4a5a NUCLEOSIDE-TRIPHOSPH
ATASE 1

(Toxoplasma
gondii) 		PF01150
(GDA1_CD39) 		4 SER A 282
GLU A 236
GLU A 235
GLU A 465
 ANP  A 700 (-3.6A)
ANP  A 700 ( 4.0A)
None
None
 1.12A 1knyA-4a5aA:
undetectable
1knyB-4a5aA:
undetectable		 1knyA-4a5aA:
17.60
1knyB-4a5aA:
17.60
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.
4abn TETRATRICOPEPTIDE
REPEAT PROTEIN 5

(Mus musculus) 		PF16669
(TTC5_OB) 		4 SER A 203
GLU A 237
GLU A 238
GLU A 411
 None
 0.87A 1knyA-4abnA:
2.2
1knyB-4abnA:
3.4		 1knyA-4abnA:
19.79
1knyB-4abnA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4apl APICAL MEMBRANE
ANTIGEN 1

(Neospora
caninum) 		PF02430
(AMA-1) 		4 ASP A 409
GLU A 174
GLU A 184
GLU A 171
 None
 0.97A 1knyA-4aplA:
undetectable
1knyB-4aplA:
undetectable		 1knyA-4aplA:
19.77
1knyB-4aplA:
19.77
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.
4b61 ALGINATE PRODUCTION
PROTEIN ALGE

(Pseudomonas
aeruginosa) 		PF13372
(Alginate_exp) 		4 ASP A  55
GLU A  51
GLU A 368
GLU A 100
 CU  A1505 (-2.3A)
None
None
None
 0.93A 1knyA-4b61A:
undetectable
1knyB-4b61A:
undetectable		 1knyA-4b61A:
18.83
1knyB-4b61A:
18.83
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.
4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF05076
(SUFU)
PF12470
(SUFU_C)
PF13416
(SBP_bac_8) 		4 ASP A 577
GLU A 547
GLU A 586
GLU A 546
 None
 1.20A 1knyA-4blaA:
undetectable
1knyB-4blaA:
undetectable		 1knyA-4blaA:
16.00
1knyB-4blaA:
16.00
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		4 SER A 310
ASP A 309
GLU A 245
GLU A 261
 None
 1.20A 1knyA-4ci8A:
undetectable
1knyB-4ci8A:
undetectable		 1knyA-4ci8A:
16.26
1knyB-4ci8A:
16.26
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.
4d51 CYMA

(Klebsiella
oxytoca) 		PF16941
(CymA) 		4 SER A 119
GLU A 164
GLU A 135
GLU A 174
 None
 1.18A 1knyA-4d51A:
undetectable
1knyB-4d51A:
undetectable		 1knyA-4d51A:
19.88
1knyB-4d51A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fhn NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		4 ASP B 682
GLU B 553
GLU B 549
GLU B   3
 None
 1.04A 1knyA-4fhnB:
undetectable
1knyB-4fhnB:
1.1		 1knyA-4fhnB:
12.94
1knyB-4fhnB:
12.94
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.
4gfj TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 SER A 322
ASP A 320
GLU A 375
GLU A 215
 GOL  A 703 (-2.8A)
None
None
None
 0.94A 1knyA-4gfjA:
2.3
1knyB-4gfjA:
3.1		 1knyA-4gfjA:
17.23
1knyB-4gfjA:
17.23
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.
4had PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF01408
(GFO_IDH_MocA) 		4 SER A 306
GLU A 120
GLU A  94
GLU A 285
 None
 1.17A 1knyA-4hadA:
undetectable
1knyB-4hadA:
undetectable		 1knyA-4hadA:
20.70
1knyB-4hadA:
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.
4hwg UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Rickettsia
bellii) 		PF02350
(Epimerase_2) 		4 ASP A 281
GLU A 304
GLU A 287
GLU A 116
 None
 0.98A 1knyA-4hwgA:
undetectable
1knyB-4hwgA:
undetectable		 1knyA-4hwgA:
21.09
1knyB-4hwgA:
21.09
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.
4kmh SUPPRESSOR OF FUSED
HOMOLOG

(Homo sapiens) 		PF05076
(SUFU)
PF12470
(SUFU_C) 		4 ASP A 237
GLU A 207
GLU A 246
GLU A 206
 None
 1.18A 1knyA-4kmhA:
undetectable
1knyB-4kmhA:
undetectable		 1knyA-4kmhA:
18.63
1knyB-4kmhA:
18.63
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.
4l0o CYSTATHIONINE
GAMMA-SYNTHASE

(Helicobacter
pylori) 		no annotation 4 SER H 201
ASP H 202
GLU H 327
GLU H 363
 None
 1.15A 1knyA-4l0oH:
1.4
1knyB-4l0oH:
undetectable		 1knyA-4l0oH:
21.84
1knyB-4l0oH:
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.
4l9r INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE

(Bacillus
subtilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 SER A 290
ASP A 286
GLU A 296
GLU A 113
 None
 1.16A 1knyA-4l9rA:
undetectable
1knyB-4l9rA:
undetectable		 1knyA-4l9rA:
23.20
1knyB-4l9rA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4odj S-ADENOSYLMETHIONINE
SYNTHASE

(Cryptosporidium
hominis) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 SER A  43
ASP A  44
GLU A  62
GLU A  75
 None
 1.07A 1knyA-4odjA:
undetectable
1knyB-4odjA:
undetectable		 1knyA-4odjA:
20.43
1knyB-4odjA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 SER A 373
ASP A 372
GLU A 367
GLU A 345
 None
 1.18A 1knyA-4oonA:
undetectable
1knyB-4oonA:
undetectable		 1knyA-4oonA:
15.16
1knyB-4oonA:
15.16
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.
4pkv LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		4 SER A 746
ASP A 748
GLU A 682
GLU A 739
 None
None
None
30R  A 801 (-3.4A)
 1.17A 1knyA-4pkvA:
undetectable
1knyB-4pkvA:
undetectable		 1knyA-4pkvA:
19.09
1knyB-4pkvA:
19.09
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.
4r9m SPERMIDINE
N(1)-ACETYLTRANSFERA
SE

(Escherichia
coli) 		PF13302
(Acetyltransf_3) 		4 GLU A  85
GLU A  76
GLU A  57
GLU A  73
 None
MG  A 201 (-2.9A)
None
None
 1.21A 1knyA-4r9mA:
undetectable
1knyB-4r9mA:
undetectable		 1knyA-4r9mA:
20.00
1knyB-4r9mA:
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.
4rya ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL)

(Agrobacterium
vitis) 		PF01547
(SBP_bac_1) 		4 ASP A  34
GLU A  61
GLU A 247
GLU A 191
 None
MTL  A 501 (-2.8A)
None
None
 1.11A 1knyA-4ryaA:
undetectable
1knyB-4ryaA:
undetectable		 1knyA-4ryaA:
20.60
1knyB-4ryaA:
20.60
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.
4tvo MALATE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 SER A 322
ASP A 319
GLU A 326
GLU A 105
 None
NA  A 405 (-2.8A)
None
None
 1.19A 1knyA-4tvoA:
undetectable
1knyB-4tvoA:
undetectable		 1knyA-4tvoA:
19.94
1knyB-4tvoA:
19.94
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.
4ua3 UNCHARACTERIZED
N-ACETYLTRANSFERASE
C825.04C

(Schizosaccharomyces
pombe) 		PF00583
(Acetyltransf_1) 		4 SER A  67
ASP A 192
GLU A 119
GLU A  79
 None
None
COA  A 301 ( 4.7A)
None
 1.07A 1knyA-4ua3A:
undetectable
1knyB-4ua3A:
undetectable		 1knyA-4ua3A:
22.93
1knyB-4ua3A:
22.93
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 SER A1170
ASP A1169
GLU A1172
GLU A1145
 None
CA  A1204 (-3.6A)
None
None
 0.82A 1knyA-4w8jA:
4.0
1knyB-4w8jA:
0.9		 1knyA-4w8jA:
11.12
1knyB-4w8jA:
11.12
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.
4wwy TRYPSIN-1

(Homo sapiens) 		PF00089
(Trypsin) 		4 SER A  32
GLU A  70
GLU A  77
GLU A 154
 None
 1.12A 1knyA-4wwyA:
undetectable
1knyB-4wwyA:
undetectable		 1knyA-4wwyA:
20.00
1knyB-4wwyA:
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 SER A1072
ASP A1073
GLU A1105
GLU A1104
 None
 0.91A 1knyA-4xqkA:
undetectable
1knyB-4xqkA:
undetectable		 1knyA-4xqkA:
10.69
1knyB-4xqkA:
10.69
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 SER A 168
ASP A 169
GLU A 176
GLU A 109
 None
 1.05A 1knyA-4ynnA:
undetectable
1knyB-4ynnA:
undetectable		 1knyA-4ynnA:
20.61
1knyB-4ynnA:
20.61
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.
5a2e T-CELL
DIFFERENTIATION
ANTIGEN CD6

(Homo sapiens) 		PF00530
(SRCR) 		4 SER A 146
ASP A 147
GLU A  67
GLU A  59
 None
 1.01A 1knyA-5a2eA:
undetectable
1knyB-5a2eA:
undetectable		 1knyA-5a2eA:
21.75
1knyB-5a2eA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 4 SER C  25
ASP C  26
GLU C  44
GLU C  57
 None
 1.17A 1knyA-5h9uC:
undetectable
1knyB-5h9uC:
undetectable		 1knyA-5h9uC:
21.48
1knyB-5h9uC:
21.48
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.
5hb1 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF03177
(Nucleoporin_C) 		4 SER A 846
GLU A 765
GLU A 769
GLU A 718
 None
 1.01A 1knyA-5hb1A:
undetectable
1knyB-5hb1A:
2.5		 1knyA-5hb1A:
14.37
1knyB-5hb1A:
14.37
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.
5j73 PROTEIN DESIGN
2L4HC2_9

(synthetic
construct) 		no annotation 4 ASP A  45
GLU A  49
GLU A  22
GLU A  56
 None
 1.09A 1knyA-5j73A:
3.3
1knyB-5j73A:
3.5		 1knyA-5j73A:
16.40
1knyB-5j73A:
16.40
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.
5jpq ES8

(Chaetomium
thermophilum) 		no annotation 4 GLU t 192
GLU t 195
GLU t 197
GLU t 160
 None
 1.13A 1knyA-5jpqt:
undetectable
1knyB-5jpqt:
undetectable		 1knyA-5jpqt:
22.55
1knyB-5jpqt:
22.55
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.
5jxm PRIB

(Streptomyces
sp. RM-5-8) 		PF11991
(Trp_DMAT) 		4 SER A  82
ASP A 119
GLU A 112
GLU A  94
 None
None
None
TRS  A 501 (-2.1A)
 1.11A 1knyA-5jxmA:
undetectable
1knyB-5jxmA:
undetectable		 1knyA-5jxmA:
21.57
1knyB-5jxmA:
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 SER A 144
ASP A 103
GLU A 583
GLU A 536
 None
 1.15A 1knyA-5necA:
undetectable
1knyB-5necA:
undetectable		 1knyA-5necA:
17.09
1knyB-5necA:
17.09
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.
5oik TRANSCRIPTION
ELONGATION FACTOR
SPT5

(Homo sapiens) 		PF00467
(KOW)
PF03439
(Spt5-NGN) 		4 ASP Z 289
GLU Z 392
GLU Z 394
GLU Z 556
 None
 0.92A 1knyA-5oikZ:
undetectable
1knyB-5oikZ:
undetectable		 1knyA-5oikZ:
13.06
1knyB-5oikZ:
13.06
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.
5oik TRANSCRIPTION
ELONGATION FACTOR
SPT5

(Homo sapiens) 		PF00467
(KOW)
PF03439
(Spt5-NGN) 		4 ASP Z 289
GLU Z 392
GLU Z 394
GLU Z 556
 None
 1.21A 1knyA-5oikZ:
undetectable
1knyB-5oikZ:
undetectable		 1knyA-5oikZ:
13.06
1knyB-5oikZ:
13.06
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.
5ojr -

(-) 		no annotation 4 SER A 250
ASP A 251
GLU A 217
GLU A 210
 None
 0.91A 1knyA-5ojrA:
undetectable
1knyB-5ojrA:
undetectable		 1knyA-5ojrA:
undetectable
1knyB-5ojrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		4 SER A 756
GLU A 747
GLU A 746
GLU A 748
 None
 1.15A 1knyA-5svcA:
undetectable
1knyB-5svcA:
undetectable		 1knyA-5svcA:
14.60
1knyB-5svcA:
14.60
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.
5tp3 F-VHH-4

(Lama glama) 		PF07686
(V-set) 		4 SER A  62
ASP A  61
GLU A  46
GLU A  44
 None
 0.83A 1knyA-5tp3A:
undetectable
1knyB-5tp3A:
undetectable		 1knyA-5tp3A:
17.67
1knyB-5tp3A:
17.67
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.
5vo5 COILED-COIL AND C2
DOMAIN-CONTAINING
PROTEIN
1-LIKE,GH13992P

(Drosophila
melanogaster) 		PF03357
(Snf7) 		4 ASP A 139
GLU A 146
GLU A 150
GLU A  25
 None
 1.07A 1knyA-5vo5A:
2.3
1knyB-5vo5A:
3.6		 1knyA-5vo5A:
21.03
1knyB-5vo5A:
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.
5xu6 INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Cryptococcus
neoformans) 		PF06090
(Ins_P5_2-kin) 		4 SER A 357
ASP A 385
GLU A 151
GLU A 237
 None
 1.12A 1knyA-5xu6A:
undetectable
1knyB-5xu6A:
undetectable		 1knyA-5xu6A:
19.18
1knyB-5xu6A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avy ACYL-PROTEIN
THIOESTERASE 2

(Zea mays) 		no annotation 4 SER A 161
ASP A 197
GLU A 236
GLU A 235
 None
 1.19A 1knyA-6avyA:
undetectable
1knyB-6avyA:
undetectable		 1knyA-6avyA:
15.14
1knyB-6avyA:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b7p SDED

(Legionella
pneumophila) 		no annotation 4 SER A 157
GLU A 159
GLU A 160
GLU A 181
 None
 1.12A 1knyA-6b7pA:
undetectable
1knyB-6b7pA:
1.7		 1knyA-6b7pA:
16.74
1knyB-6b7pA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bfn INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 1

(Homo sapiens) 		no annotation 4 GLU A 443
GLU A 440
GLU A 441
GLU A 444
 None
 1.15A 1knyA-6bfnA:
3.8
1knyB-6bfnA:
3.9		 1knyA-6bfnA:
20.29
1knyB-6bfnA:
20.29