SIMILAR PATTERNS OF AMINO ACIDS FOR 3KU1_C_SAMC226_0

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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii)
PF00294
(PfkB)
5 GLY A  19
GLY A  69
ALA A  93
LEU A 142
ILE A  22
CL  A 385 ( 3.8A)
ADN  A 375 (-2.9A)
None
None
ADN  A 375 ( 4.3A)
0.94A 3ku1C-1dgmA:
3.1
3ku1C-1dgmA:
22.76
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.
1ee1 NH(3)-DEPENDENT
NAD(+) SYNTHETASE


(Bacillus
subtilis)
PF02540
(NAD_synthase)
5 PRO A 199
ALA A  54
GLY A  55
LEU A  60
ILE A  22
None
0.91A 3ku1C-1ee1A:
2.2
3ku1C-1ee1A:
22.14
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.
1ep5 CAPSID PROTEIN C

(Venezuelan
equine
encephalitis
virus)
no annotation 5 GLY B 243
VAL B 255
PRO B 269
ALA B 222
GLY B 221
None
0.92A 3ku1C-1ep5B:
undetectable
3ku1C-1ep5B:
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE


(Paracoccus
pantotrophus)
PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3)
5 GLY A 239
GLY A 138
ALA A 260
GLY A 261
ILE A 281
None
0.84A 3ku1C-1gq1A:
undetectable
3ku1C-1gq1A:
18.87
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.
1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE


(Clostridium
beijerinckii)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 GLY A1182
GLY A1158
ALA A1177
GLY A1176
ILE A1265
None
0.95A 3ku1C-1jqbA:
4.1
3ku1C-1jqbA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca)
PF00759
(Glyco_hydro_9)
PF00942
(CBM_3)
5 VAL A 364
GLY A 400
ALA A 431
GLY A 432
LEU A 437
None
0.82A 3ku1C-1js4A:
undetectable
3ku1C-1js4A:
17.05
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.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum)
PF00759
(Glyco_hydro_9)
PF00942
(CBM_3)
5 VAL A 361
GLY A 397
ALA A 427
GLY A 428
LEU A 433
None
0.87A 3ku1C-1k72A:
undetectable
3ku1C-1k72A:
16.29
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.
1kbv MAJOR OUTER MEMBRANE
PROTEIN PAN 1


(Neisseria
gonorrhoeae)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
5 VAL A 266
GLY A 269
GLY A 129
LEU A 151
ILE A 132
None
0.87A 3ku1C-1kbvA:
undetectable
3ku1C-1kbvA:
22.26
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20)
PF00704
(Glyco_hydro_18)
5 GLY A 166
GLY A 182
ALA A 177
GLY A 176
LEU A 110
None
0.86A 3ku1C-1kfwA:
undetectable
3ku1C-1kfwA:
19.59
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.
1khd ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE


(Pectobacterium
carotovorum)
PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
5 GLY A 191
ALA A  66
GLY A  67
LEU A  72
ILE A 194
None
0.80A 3ku1C-1khdA:
undetectable
3ku1C-1khdA:
22.66
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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis)
PF00759
(Glyco_hydro_9)
5 VAL A 347
GLY A 389
ALA A 419
GLY A 420
LEU A 425
None
0.79A 3ku1C-1ks8A:
undetectable
3ku1C-1ks8A:
17.58
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.
1mhy METHANE
MONOOXYGENASE
HYDROXYLASE


(Methylosinus
trichosporium)
PF02332
(Phenol_Hydrox)
5 VAL B 254
GLY B 251
ALA B 230
GLY B 229
ILE B 237
None
0.92A 3ku1C-1mhyB:
undetectable
3ku1C-1mhyB:
20.45
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.
1pq5 TRYPSIN

(Fusarium
oxysporum)
PF00089
(Trypsin)
5 GLY A 229
ASP A 126
PRO A 127
LEU A 100
ILE A 235
None
0.95A 3ku1C-1pq5A:
undetectable
3ku1C-1pq5A:
21.01
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.
1sjp 60 KDA CHAPERONIN 2

(Mycobacterium
tuberculosis)
PF00118
(Cpn60_TCP1)
5 ASP A 335
GLY A 189
ALA A 290
GLY A 295
ILE A 329
None
0.93A 3ku1C-1sjpA:
undetectable
3ku1C-1sjpA:
21.58
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.
1tdf THIOREDOXIN
REDUCTASE


(Escherichia
coli)
PF07992
(Pyr_redox_2)
5 GLY A 285
ASP A 289
ALA A 299
GLY A 300
ILE A 109
FAD  A 500 (-3.1A)
None
None
None
None
0.90A 3ku1C-1tdfA:
5.4
3ku1C-1tdfA:
23.38
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.
1tz6 PUTATIVE SUGAR
KINASE


(Salmonella
enterica)
PF00294
(PfkB)
5 LEU A  62
GLY A  11
ASP A 108
ALA A  34
GLY A  31
None
None
None
None
AIS  A 402 (-3.8A)
0.91A 3ku1C-1tz6A:
3.0
3ku1C-1tz6A:
18.88
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.
1vdc NADPH DEPENDENT
THIOREDOXIN
REDUCTASE


(Arabidopsis
thaliana)
PF07992
(Pyr_redox_2)
5 GLY A 285
ASP A 289
ALA A 299
GLY A 300
ILE A 109
FAD  A 400 ( 3.2A)
None
None
None
None
0.95A 3ku1C-1vdcA:
4.6
3ku1C-1vdcA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE


(Thermus
thermophilus)
PF00291
(PALP)
5 LEU A 234
GLY A 173
PRO A 201
GLY A 177
ILE A  39
None
None
None
PLP  A 413 (-3.8A)
None
0.90A 3ku1C-1ve1A:
2.1
3ku1C-1ve1A:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wls L-ASPARAGINASE

(Pyrococcus
horikoshii)
PF00710
(Asparaginase)
5 GLY A 213
VAL A 248
GLY A 210
LEU A 207
ILE A 205
None
0.77A 3ku1C-1wlsA:
undetectable
3ku1C-1wlsA:
25.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA


(Mycobacterium
tuberculosis)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
6 ARG A 304
PRO A 233
GLY A 229
ALA A 259
GLY A 258
ILE A 228
None
1.14A 3ku1C-1zj9A:
undetectable
3ku1C-1zj9A:
17.36
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.
2a3k PROTEIN TYROSINE
PHOSPHATASE,
NON-RECEPTOR TYPE 7,
ISOFORM 1


(Homo sapiens)
PF00102
(Y_phosphatase)
6 GLY A 294
VAL A 289
GLY A 332
MET A 333
LEU A 326
ILE A 155
PO4  A 501 (-4.4A)
None
None
None
None
None
1.34A 3ku1C-2a3kA:
undetectable
3ku1C-2a3kA:
22.40
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.
2a87 THIOREDOXIN
REDUCTASE


(Mycobacterium
tuberculosis)
PF07992
(Pyr_redox_2)
5 GLY A 287
ASP A 291
ALA A 301
GLY A 302
ILE A 119
FAD  A 348 (-3.2A)
None
None
None
None
0.91A 3ku1C-2a87A:
5.0
3ku1C-2a87A:
23.53
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.
2a8b RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE R


(Homo sapiens)
PF00102
(Y_phosphatase)
6 GLY A 591
VAL A 586
GLY A 629
MET A 630
LEU A 623
ILE A 452
None
1.29A 3ku1C-2a8bA:
undetectable
3ku1C-2a8bA:
23.99
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.
2buf ACETYLGLUTAMATE
KINASE


(Pseudomonas
aeruginosa)
PF00696
(AA_kinase)
5 LEU A 216
GLY A 186
ALA A 202
GLY A 203
ILE A 134
None
0.91A 3ku1C-2bufA:
3.6
3ku1C-2bufA:
21.24
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.
2bv5 TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 5


(Homo sapiens)
PF00102
(Y_phosphatase)
6 GLY A 475
VAL A 470
GLY A 513
MET A 514
LEU A 507
ILE A 335
SCY  A 472 ( 3.6A)
None
None
None
None
None
1.27A 3ku1C-2bv5A:
undetectable
3ku1C-2bv5A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE


(Desulfovibrio
africanus)
PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II)
5 GLY A 961
VAL A 986
GLY A 964
LEU A1025
ILE A1066
None
None
TPP  A2236 (-3.2A)
None
None
0.91A 3ku1C-2c3oA:
undetectable
3ku1C-2c3oA:
10.98
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.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum)
PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929)
6 GLY A 243
ASP A 246
VAL A 241
GLY A 230
ALA A 269
MET A 266
None
1.29A 3ku1C-2eidA:
undetectable
3ku1C-2eidA:
15.11
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.
2fx5 LIPASE

(Pseudomonas
mendocina)
no annotation 5 GLY A 131
PRO A 149
GLY A 155
ALA A 135
GLY A 136
None
0.90A 3ku1C-2fx5A:
2.7
3ku1C-2fx5A:
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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN


(Salmonella
enterica)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 GLY A  43
GLY A  96
ALA A  50
GLY A  49
ILE A  56
None
0.94A 3ku1C-2gl5A:
undetectable
3ku1C-2gl5A:
19.76
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.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE


(Xanthomonas
citri)
PF01663
(Phosphodiest)
5 ARG A 243
ALA A 239
GLY A 240
MET A 241
ILE A 252
None
0.81A 3ku1C-2gsnA:
undetectable
3ku1C-2gsnA:
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.
2gtp REGULATOR OF
G-PROTEIN SIGNALING
1


(Homo sapiens)
PF00615
(RGS)
5 GLY C  82
GLY C  87
ALA C  78
LEU C 103
ILE C  99
None
0.93A 3ku1C-2gtpC:
undetectable
3ku1C-2gtpC:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hf7 CLASS B ACID
PHOSPHATASE


(Escherichia
coli)
PF03767
(Acid_phosphat_B)
5 LEU A 156
ASP A 171
GLY A  42
LEU A  97
ILE A  29
None
MG  A 700 ( 4.5A)
None
None
None
0.91A 3ku1C-2hf7A:
2.2
3ku1C-2hf7A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hig 6-PHOSPHO-1-FRUCTOKI
NASE


(Trypanosoma
brucei)
PF00365
(PFK)
5 GLY A 223
VAL A 221
GLY A 412
GLY A 198
ILE A 427
None
0.94A 3ku1C-2higA:
2.1
3ku1C-2higA:
19.76
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.
2iex DIHYDROXYNAPTHOIC
ACID SYNTHETASE


(Geobacillus
kaustophilus)
PF00378
(ECH_1)
5 LEU A 194
GLY A  66
ALA A 114
GLY A 115
ILE A  27
None
0.91A 3ku1C-2iexA:
undetectable
3ku1C-2iexA:
22.18
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.
2j3s FILAMIN-A

(Homo sapiens)
PF00630
(Filamin)
5 LEU A2162
PRO A2181
GLY A2237
ALA A2266
GLY A2267
None
0.79A 3ku1C-2j3sA:
undetectable
3ku1C-2j3sA:
24.75
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.
2jzj CYANOVIRIN-N HOMOLOG

(Ceratopteris
richardii)
PF08881
(CVNH)
5 GLY A  56
GLY A  42
GLY A  16
LEU A  70
ILE A  41
None
0.95A 3ku1C-2jzjA:
undetectable
3ku1C-2jzjA:
17.18
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.
2lfu GNA2132

(Neisseria
meningitidis)
PF01298
(TbpB_B_D)
5 VAL A 401
GLY A 376
ALA A 314
GLY A 315
ILE A 372
None
0.83A 3ku1C-2lfuA:
undetectable
3ku1C-2lfuA:
22.71
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.
2nlx XYLULOSE KINASE

(Escherichia
coli)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
6 LEU A 281
GLY A 237
VAL A 422
GLY A 242
LEU A 449
ILE A 393
None
1.38A 3ku1C-2nlxA:
undetectable
3ku1C-2nlxA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE


(Neisseria
meningitidis)
PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C)
5 ARG A 321
ASP A 286
PRO A 283
ALA A 200
GLY A 199
None
0.77A 3ku1C-2olsA:
undetectable
3ku1C-2olsA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE


(Neisseria
meningitidis)
PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C)
5 ARG A 321
VAL A 280
PRO A 283
ALA A 200
GLY A 199
None
0.88A 3ku1C-2olsA:
undetectable
3ku1C-2olsA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p5u UDP-GLUCOSE
4-EPIMERASE


(Thermus
thermophilus)
PF01370
(Epimerase)
5 GLY A 175
GLY A 299
ALA A 188
GLY A 185
ILE A 300
None
0.94A 3ku1C-2p5uA:
5.1
3ku1C-2p5uA:
24.37
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.
2qru UNCHARACTERIZED
PROTEIN


(Enterococcus
faecalis)
PF07859
(Abhydrolase_3)
5 LEU A  48
GLY A 231
GLY A 100
LEU A 109
ILE A 230
None
0.95A 3ku1C-2qruA:
undetectable
3ku1C-2qruA:
22.11
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.
2r8w AGR_C_1641P

(Agrobacterium
fabrum)
PF00701
(DHDPS)
5 GLY A 221
ALA A 204
GLY A 205
LEU A 210
ILE A 220
None
0.85A 3ku1C-2r8wA:
undetectable
3ku1C-2r8wA:
20.24
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.
2raa PYRUVATE SYNTHASE
SUBUNIT PORC


(Thermotoga
maritima)
PF01558
(POR)
5 GLY A  14
ASP A  80
VAL A  77
ALA A  16
GLY A  17
None
None
None
SO4  A 193 ( 4.9A)
SO4  A 193 (-3.2A)
0.87A 3ku1C-2raaA:
undetectable
3ku1C-2raaA:
25.20
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.
2rij PUTATIVE
2,3,4,5-TETRAHYDROPY
RIDINE-2-CARBOXYLATE
N-
SUCCINYLTRANSFERASE


(Campylobacter
jejuni)
PF14602
(Hexapep_2)
PF14789
(THDPS_M)
PF14790
(THDPS_N)
5 GLY A 252
VAL A 266
GLY A 249
ALA A 233
GLY A 234
None
0.91A 3ku1C-2rijA:
undetectable
3ku1C-2rijA:
20.76
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.
2vfw SHORT-CHAIN
Z-ISOPRENYL
DIPHOSPHATE
SYNTHETASE


(Mycobacterium
tuberculosis)
PF01255
(Prenyltransf)
6 LEU A 222
GLY A 124
GLY A 127
ALA A 155
LEU A 137
ILE A 129
None
1.33A 3ku1C-2vfwA:
3.2
3ku1C-2vfwA:
23.02
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.
2w3c GENERAL VESICULAR
TRANSPORT FACTOR
P115


(Homo sapiens)
PF04869
(Uso1_p115_head)
5 LEU A 171
GLY A 142
GLY A  80
LEU A  69
ILE A  79
None
0.90A 3ku1C-2w3cA:
undetectable
3ku1C-2w3cA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum)
PF00759
(Glyco_hydro_9)
5 VAL A 364
GLY A 400
ALA A 430
GLY A 431
LEU A 436
None
0.92A 3ku1C-2xfgA:
undetectable
3ku1C-2xfgA:
19.27
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus)
PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110)
5 GLY A 186
GLY A 644
ALA A 673
GLY A 674
ILE A 655
None
0.94A 3ku1C-2xvgA:
undetectable
3ku1C-2xvgA:
12.46
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN


(Pyrococcus
horikoshii)
PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
5 PRO A 314
GLY A 272
GLY A 308
MET A 307
ILE A 242
None
SFG  A5748 (-3.7A)
None
None
None
0.93A 3ku1C-2yxlA:
10.9
3ku1C-2yxlA:
19.60
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.
2zzg ALANYL-TRNA
SYNTHETASE


(Pyrococcus
horikoshii)
PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD)
5 ARG A 625
GLY A 696
GLY A 621
MET A 620
LEU A 645
None
0.95A 3ku1C-2zzgA:
undetectable
3ku1C-2zzgA:
16.51
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.
3baz HYDROXYPHENYLPYRUVAT
E REDUCTASE


(Plectranthus
scutellarioides)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
5 LEU A 241
VAL A 147
ALA A 253
GLY A 252
LEU A 116
None
0.90A 3ku1C-3bazA:
5.1
3ku1C-3bazA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bdv UNCHARACTERIZED
PROTEIN DUF1234


(Pectobacterium
atrosepticum)
PF06821
(Ser_hydrolase)
5 ARG A   9
GLY A 100
ALA A 180
LEU A  17
ILE A  76
EDO  A 196 (-3.8A)
None
None
None
None
0.95A 3ku1C-3bdvA:
2.2
3ku1C-3bdvA:
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.
3bj1 HEMOGLOBIN ALPHA
HEMOGLOBIN BETA


(Perca
flavescens;
Perca
flavescens)
PF00042
(Globin)
PF00042
(Globin)
5 GLY A  30
VAL A  35
GLY B 124
ALA A  26
GLY A  25
None
0.90A 3ku1C-3bj1A:
undetectable
3ku1C-3bj1A:
22.54
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.
3cj8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE


(Enterococcus
faecalis)
PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2)
5 GLY A 172
VAL A 189
ALA A 147
GLY A 148
LEU A 151
None
None
None
MG  A 301 ( 4.3A)
None
0.90A 3ku1C-3cj8A:
undetectable
3ku1C-3cj8A:
25.19
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.
3d8x THIOREDOXIN
REDUCTASE 1


(Saccharomyces
cerevisiae)
PF07992
(Pyr_redox_2)
5 GLY A 287
ASP A 291
ALA A 301
GLY A 302
ILE A 116
FAD  A1001 (-3.5A)
None
None
None
None
0.95A 3ku1C-3d8xA:
5.2
3ku1C-3d8xA:
21.52
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.
3das PUTATIVE
OXIDOREDUCTASE


(Streptomyces
coelicolor)
PF07995
(GSDH)
5 GLY A 206
PRO A 265
GLY A 156
ALA A 208
ILE A 176
None
0.95A 3ku1C-3dasA:
undetectable
3ku1C-3dasA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dj4 BIFUNCTIONAL PROTEIN
GLMU


(Mycobacterium
tuberculosis)
PF00132
(Hexapep)
PF12804
(NTP_transf_3)
5 LEU A 118
VAL A 224
ALA A 182
GLY A 183
ILE A 153
None
None
None
UD1  A4000 ( 4.5A)
None
0.92A 3ku1C-3dj4A:
2.2
3ku1C-3dj4A:
18.20
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.
3ds8 LIN2722 PROTEIN

(Listeria
innocua)
PF06028
(DUF915)
5 GLY A 105
VAL A 128
GLY A  98
GLY A  11
LEU A  19
None
None
None
SO4  A 256 ( 3.5A)
None
0.80A 3ku1C-3ds8A:
2.5
3ku1C-3ds8A:
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum)
PF07992
(Pyr_redox_2)
5 ARG A 289
GLY A 280
GLY A  14
ALA A 285
ILE A   7
None
0.88A 3ku1C-3fbsA:
2.6
3ku1C-3fbsA:
23.75
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9


(Homo sapiens)
PF00082
(Peptidase_S8)
5 VAL A 284
PRO A 282
ALA A 409
LEU A 415
ILE A 334
None
0.84A 3ku1C-3gcwA:
2.7
3ku1C-3gcwA:
18.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gnl UNCHARACTERIZED
PROTEIN, DUF633,
LMOF2365_1472


(Listeria
monocytogenes)
PF04816
(TrmK)
11 ARG A  15
LEU A  16
GLY A  33
VAL A  57
PRO A  61
GLY A  85
ALA A 101
GLY A 102
MET A 103
LEU A 107
ILE A 111
None
0.29A 3ku1C-3gnlA:
31.7
3ku1C-3gnlA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gnl UNCHARACTERIZED
PROTEIN, DUF633,
LMOF2365_1472


(Listeria
monocytogenes)
PF04816
(TrmK)
6 GLY A  33
ASP A  35
GLY A  85
MET A 103
LEU A 107
ILE A 111
None
1.14A 3ku1C-3gnlA:
31.7
3ku1C-3gnlA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gnl UNCHARACTERIZED
PROTEIN, DUF633,
LMOF2365_1472


(Listeria
monocytogenes)
PF04816
(TrmK)
7 LEU A  39
GLY A  33
PRO A  61
ALA A 101
MET A 103
LEU A 107
ILE A 111
None
1.43A 3ku1C-3gnlA:
31.7
3ku1C-3gnlA:
42.86
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.
3hjp PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG (BCP-4)


(Sulfolobus
solfataricus)
PF00578
(AhpC-TSA)
5 LEU A 108
PRO A 143
GLY A  68
ALA A  39
ILE A  90
None
None
None
CL  A 700 ( 4.6A)
None
0.95A 3ku1C-3hjpA:
undetectable
3ku1C-3hjpA:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3isl PURINE CATABOLISM
PROTEIN PUCG


(Bacillus
subtilis)
PF00266
(Aminotran_5)
5 GLY A 312
ALA A 383
GLY A 384
LEU A 389
ILE A 396
None
0.90A 3ku1C-3islA:
3.7
3ku1C-3islA:
21.67
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.
3jy6 TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY


(Lactobacillus
brevis)
PF13407
(Peripla_BP_4)
5 VAL A 148
PRO A 161
GLY A 126
ALA A 312
GLY A 313
None
0.92A 3ku1C-3jy6A:
2.4
3ku1C-3jy6A:
23.53
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.
3k9b LIVER
CARBOXYLESTERASE 1


(Homo sapiens)
PF00135
(COesterase)
5 LEU A1472
GLY A1224
VAL A1229
GLY A1141
LEU A1144
None
None
None
WW2  A 193 (-3.8A)
None
0.95A 3ku1C-3k9bA:
2.8
3ku1C-3k9bA:
19.14
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.
3kq4 CUBILIN

(Homo sapiens)
PF00431
(CUB)
6 LEU B1085
ASP B1111
PRO B1118
GLY B1167
LEU B1195
ILE B1257
None
None
None
NAG  B2007 ( 3.9A)
None
None
1.24A 3ku1C-3kq4B:
undetectable
3ku1C-3kq4B:
15.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kr9 SAM-DEPENDENT
METHYLTRANSFERASE


(Streptococcus
pneumoniae)
PF04816
(TrmK)
10 ARG A   5
GLY A  23
VAL A  47
PRO A  51
GLY A  75
ALA A  91
GLY A  92
MET A  93
LEU A  97
ILE A 101
None
0.66A 3ku1C-3kr9A:
34.8
3ku1C-3kr9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kr9 SAM-DEPENDENT
METHYLTRANSFERASE


(Streptococcus
pneumoniae)
PF04816
(TrmK)
8 GLY A  23
ASP A  25
GLY A  75
ALA A  91
GLY A  92
MET A  93
LEU A  97
ILE A 101
None
1.01A 3ku1C-3kr9A:
34.8
3ku1C-3kr9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kr9 SAM-DEPENDENT
METHYLTRANSFERASE


(Streptococcus
pneumoniae)
PF04816
(TrmK)
10 LEU A   6
GLY A  23
VAL A  47
PRO A  51
GLY A  75
ALA A  91
GLY A  92
MET A  93
LEU A  97
ILE A 101
None
0.43A 3ku1C-3kr9A:
34.8
3ku1C-3kr9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kr9 SAM-DEPENDENT
METHYLTRANSFERASE


(Streptococcus
pneumoniae)
PF04816
(TrmK)
6 LEU A  29
PRO A  51
ALA A  91
MET A  93
LEU A  97
ILE A 101
None
1.47A 3ku1C-3kr9A:
34.8
3ku1C-3kr9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lec NADB-ROSSMANN
SUPERFAMILY PROTEIN


(Streptococcus
agalactiae)
PF04816
(TrmK)
10 ARG A   8
LEU A   9
GLY A  26
VAL A  50
PRO A  54
GLY A  78
GLY A  95
MET A  96
LEU A 100
ILE A 104
None
None
None
None
None
None
None
None
SO4  A 229 ( 4.7A)
None
0.51A 3ku1C-3lecA:
32.8
3ku1C-3lecA:
61.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lec NADB-ROSSMANN
SUPERFAMILY PROTEIN


(Streptococcus
agalactiae)
PF04816
(TrmK)
6 GLY A  26
ASP A  28
GLY A  78
MET A  96
LEU A 100
ILE A 104
None
None
None
None
SO4  A 229 ( 4.7A)
None
1.23A 3ku1C-3lecA:
32.8
3ku1C-3lecA:
61.67
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.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY


(Clostridium
acetobutylicum)
PF13419
(HAD_2)
5 GLY A 164
ASP A   8
VAL A 170
GLY A 186
ILE A 201
None
NA  A 301 (-3.1A)
None
None
None
0.94A 3ku1C-3mc1A:
undetectable
3ku1C-3mc1A:
24.90
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.
3q7h ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT


(Coxiella
burnetii)
PF00574
(CLP_protease)
5 LEU A 155
GLY A 101
ALA A 106
GLY A 107
LEU A  63
None
0.94A 3ku1C-3q7hA:
undetectable
3ku1C-3q7hA:
25.40
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT K
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N


(Escherichia
coli;
Escherichia
coli;
Escherichia
coli)
no annotation
no annotation
no annotation
5 LEU N 176
PRO K   3
GLY J   9
ALA K  12
ILE J  13
None
0.90A 3ku1C-3rkoN:
undetectable
3ku1C-3rkoN:
19.67
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.
3svt SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE


(Mycobacterium
ulcerans)
PF13561
(adh_short_C2)
5 VAL A  12
ALA A  45
GLY A  46
LEU A  51
ILE A  61
None
0.91A 3ku1C-3svtA:
6.9
3ku1C-3svtA:
23.49
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.
3ts7 GERANYLTRANSTRANSFER
ASE


(Methylococcus
capsulatus)
PF00348
(polyprenyl_synt)
5 ARG A 100
GLY A 220
MET A  51
LEU A  55
ILE A 190
PO4  A 324 (-3.8A)
None
PO4  A 323 (-3.8A)
None
None
0.88A 3ku1C-3ts7A:
undetectable
3ku1C-3ts7A:
22.29
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.
3vgl GLUCOKINASE

(Streptomyces
griseus)
PF00480
(ROK)
5 LEU A  88
GLY A  10
GLY A 131
ALA A  64
GLY A  63
None
ANP  A 325 (-3.4A)
ANP  A 325 (-3.0A)
None
None
0.89A 3ku1C-3vglA:
undetectable
3ku1C-3vglA:
22.87
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC


(Dictyostelium
discoideum)
PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9)
5 GLY A2072
ALA A2021
GLY A2020
LEU A2067
ILE A2046
None
0.94A 3ku1C-3vkgA:
undetectable
3ku1C-3vkgA:
5.84
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B


(Escherichia
coli)
PF00873
(ACR_tran)
5 ARG A 815
LEU A 721
VAL A 612
ALA A 618
GLY A 619
None
0.93A 3ku1C-3w9hA:
undetectable
3ku1C-3w9hA:
12.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wsu BETA-MANNANASE

(Streptomyces
thermolilacinus)
PF00150
(Cellulase)
5 LEU A 129
ASP A  90
GLY A 328
ALA A  96
GLY A  95
None
0.92A 3ku1C-3wsuA:
undetectable
3ku1C-3wsuA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4at0 3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E


(Rhodococcus
jostii)
PF00890
(FAD_binding_2)
6 LEU A  96
GLY A 469
VAL A 167
GLY A  64
ALA A 467
GLY A 148
None
FAD  A1493 ( 3.1A)
None
ACT  A1491 ( 3.2A)
None
None
1.19A 3ku1C-4at0A:
undetectable
3ku1C-4at0A:
19.02
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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii)
PF00759
(Glyco_hydro_9)
5 VAL A 384
GLY A 420
ALA A 450
GLY A 451
LEU A 456
None
0.86A 3ku1C-4doeA:
undetectable
3ku1C-4doeA:
19.37
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.
4fk9 CELLULOSE-BINDING
FAMILY II


(Streptomyces
sp. SirexAA-E)
PF00150
(Cellulase)
5 LEU A 129
ASP A  90
GLY A 328
ALA A  96
GLY A  95
None
0.95A 3ku1C-4fk9A:
undetectable
3ku1C-4fk9A:
22.00
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.
4jnq THIOREDOXIN
REDUCTASE


(Brucella
melitensis)
PF07992
(Pyr_redox_2)
5 GLY A 285
ASP A 289
ALA A 299
GLY A 300
ILE A 110
FDA  A 401 (-3.4A)
None
None
None
None
0.90A 3ku1C-4jnqA:
4.6
3ku1C-4jnqA:
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE


(Agrobacterium
vitis)
PF05544
(Pro_racemase)
5 GLY B 171
ASP B 172
PRO B  87
ALA B 262
GLY B 259
None
ACT  B 902 (-3.5A)
None
None
None
0.91A 3ku1C-4k7gB:
undetectable
3ku1C-4k7gB:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]


(Synechocystis
sp. PCC 6803)
PF02347
(GDC-P)
6 LEU A 234
GLY A 317
ALA A 173
GLY A 170
LEU A 167
ILE A 352
None
1.32A 3ku1C-4lglA:
undetectable
3ku1C-4lglA:
14.49
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.
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9


(Homo sapiens)
PF00082
(Peptidase_S8)
5 VAL B 284
PRO B 282
ALA B 409
LEU B 415
ILE B 334
None
0.85A 3ku1C-4ov6B:
undetectable
3ku1C-4ov6B:
24.43
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.
4q3n MGS-M5

(unidentified)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 ASP A  35
VAL A   8
GLY A  43
LEU A  48
ILE A  61
None
0.86A 3ku1C-4q3nA:
5.7
3ku1C-4q3nA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE


(Bacillus
anthracis)
no annotation 5 ASP B 122
PRO B 189
ALA B 129
LEU B 227
ILE B 223
None
0.93A 3ku1C-4qezB:
undetectable
3ku1C-4qezB:
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.
4qyr AT-LESS POLYKETIDE
SYNTHASE


(Streptomyces
platensis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
5 LEU A2905
VAL A2657
ALA A2552
GLY A2551
LEU A2641
None
0.80A 3ku1C-4qyrA:
undetectable
3ku1C-4qyrA:
17.87
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.
4uar PROTEIN CBBY

(Rhodobacter
sphaeroides)
PF13419
(HAD_2)
5 GLY A 219
ALA A 215
GLY A  96
LEU A 174
ILE A 192
None
0.91A 3ku1C-4uarA:
undetectable
3ku1C-4uarA:
24.52
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.
4uz1 NOTUM

(Homo sapiens)
PF03283
(PAE)
6 GLY A 266
ASP A 264
VAL A 334
GLY A 321
ALA A 233
GLY A 234
None
1.31A 3ku1C-4uz1A:
undetectable
3ku1C-4uz1A:
21.19
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.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN


(Staphylococcus
aureus)
PF00496
(SBP_bac_5)
5 LEU A  52
VAL A  29
GLY A 154
LEU A 169
ILE A 158
None
0.87A 3ku1C-4xkqA:
undetectable
3ku1C-4xkqA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zg8 ENDOGLUCANASE

(Perinereis
brevicirris)
PF00759
(Glyco_hydro_9)
5 VAL A 349
GLY A 391
ALA A 421
GLY A 422
LEU A 427
None
0.87A 3ku1C-4zg8A:
undetectable
3ku1C-4zg8A:
18.24
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT


(Sulfurisphaera
tokodaii)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
5 ARG A 336
GLY A 216
GLY A 253
ALA A 334
GLY A 333
None
MO  A 802 ( 3.9A)
None
None
None
0.89A 3ku1C-4zohA:
undetectable
3ku1C-4zohA:
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.
5c5g SPHERULIN-4

(Aspergillus
clavatus)
PF12138
(Spherulin4)
5 GLY A 162
ASP A 196
VAL A 199
GLY A 192
ILE A 143
None
0.86A 3ku1C-5c5gA:
undetectable
3ku1C-5c5gA:
22.43