SIMILAR PATTERNS OF AMINO ACIDS FOR 2X45_C_HSMC1161

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.
1gom ENDO-1,4-BETA-XYLANA
SE


(Thermoascus
aurantiacus)
PF00331
(Glyco_hydro_10)
4 VAL A 251
TYR A 248
VAL A 240
ASP A 239
None
1.31A 2x45C-1gomA:
undetectable
2x45C-1gomA:
17.82
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.
1gpl RP2 LIPASE

(Cavia porcellus)
PF00151
(Lipase)
PF01477
(PLAT)
4 VAL A 422
VAL A 392
ASP A 391
SER A 388
None
1.27A 2x45C-1gplA:
0.0
2x45C-1gplA:
15.55
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.
1laj CAPSID PROTEIN

(Tomato aspermy
virus)
PF00760
(Cucumo_coat)
4 VAL A 186
TYR A 187
ASP A 190
SER A 119
None
1.20A 2x45C-1lajA:
0.0
2x45C-1lajA:
18.64
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE


(Methylosinus
trichosporium)
PF02332
(Phenol_Hydrox)
4 TYR D 405
VAL D 415
ASP D 414
SER D 428
None
0.70A 2x45C-1mhzD:
undetectable
2x45C-1mhzD:
13.76
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus)
PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N)
4 VAL A  34
TYR A  23
VAL A 112
ASP A 115
None
1.09A 2x45C-1mjfA:
0.0
2x45C-1mjfA:
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.
1o9g RRNA
METHYLTRANSFERASE


(Streptomyces
viridochromogenes)
PF11599
(AviRa)
4 VAL A 221
VAL A 212
ASP A 214
SER A 236
None
0.95A 2x45C-1o9gA:
0.0
2x45C-1o9gA:
18.40
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.
1q9j POLYKETIDE SYNTHASE
ASSOCIATED PROTEIN 5


(Mycobacterium
tuberculosis)
PF00668
(Condensation)
PF16911
(PapA_C)
4 VAL A 413
TYR A 417
VAL A 301
ASP A 302
None
1.13A 2x45C-1q9jA:
0.0
2x45C-1q9jA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rmg RHAMNOGALACTURONASE
A


(Aspergillus
aculeatus)
PF00295
(Glyco_hydro_28)
4 VAL A 241
TYR A 238
VAL A 200
SER A 219
None
1.28A 2x45C-1rmgA:
0.0
2x45C-1rmgA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tjy SUGAR TRANSPORT
PROTEIN


(Salmonella
enterica)
PF13407
(Peripla_BP_4)
4 VAL A 278
TYR A 126
VAL A 304
ASP A 292
None
1.29A 2x45C-1tjyA:
0.0
2x45C-1tjyA:
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.
1tnr TUMOR NECROSIS
FACTOR BETA


(Homo sapiens)
PF00229
(TNF)
4 VAL A  75
TYR A  73
VAL A  67
ASP A 145
None
1.26A 2x45C-1tnrA:
undetectable
2x45C-1tnrA:
17.53
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.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis)
PF00067
(p450)
4 VAL A  64
TYR A  61
ASP A 346
SER A 290
None
1.34A 2x45C-1uedA:
undetectable
2x45C-1uedA:
15.88
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.
1us2 ENDO-BETA-1,4-XYLANA
SE


(Cellvibrio
japonicus)
PF00331
(Glyco_hydro_10)
PF03426
(CBM_15)
4 VAL A 533
TYR A 530
VAL A 500
ASP A 499
None
1.29A 2x45C-1us2A:
undetectable
2x45C-1us2A:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v2x TRNA (GM18)
METHYLTRANSFERASE


(Thermus
thermophilus)
PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C)
4 VAL A 119
TYR A  97
VAL A 111
ASP A 112
None
1.16A 2x45C-1v2xA:
undetectable
2x45C-1v2xA:
19.10
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.
1w2w 5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE


(Saccharomyces
cerevisiae)
PF01008
(IF-2B)
4 VAL A 140
TYR A 137
VAL A  16
ASP A   9
None
1.17A 2x45C-1w2wA:
undetectable
2x45C-1w2wA:
19.71
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
4 VAL A 286
TYR A 275
VAL A 268
ASP A 253
None
1.30A 2x45C-2bklA:
undetectable
2x45C-2bklA:
12.38
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.
2dmy SPERMATID
PERINUCLEAR
RNA-BINDING PROTEIN


(Homo sapiens)
PF00035
(dsrm)
4 VAL A  73
TYR A  59
VAL A  54
ASP A  53
None
1.09A 2x45C-2dmyA:
undetectable
2x45C-2dmyA:
18.06
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.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT


(Thermus
thermophilus)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
4 VAL A 252
TYR A 243
VAL A 163
ASP A 162
None
1.16A 2x45C-2eq9A:
undetectable
2x45C-2eq9A:
15.90
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.
2etv IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING
PROTEIN, PUTATIVE


(Thermotoga
maritima)
PF01497
(Peripla_BP_2)
4 TYR A 212
VAL A 194
ASP A 250
SER A 207
None
None
None
MLY  A 232 ( 4.6A)
1.26A 2x45C-2etvA:
undetectable
2x45C-2etvA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exu TRANSCRIPTION
INITIATION PROTEIN
SPT4/SPT5


(Saccharomyces
cerevisiae)
PF03439
(Spt5-NGN)
PF06093
(Spt4)
4 VAL A  50
TYR A  74
VAL A  66
SER A  58
None
1.11A 2x45C-2exuA:
undetectable
2x45C-2exuA:
21.51
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.
2fo5 CYSTEINE PROTEINASE
EP-B 2


(Hordeum vulgare)
PF00112
(Peptidase_C1)
4 VAL A 138
TYR A 221
VAL A 121
ASP A 128
None
1.22A 2x45C-2fo5A:
undetectable
2x45C-2fo5A:
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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D


(Homo sapiens)
PF00069
(Pkinase)
4 VAL A 192
TYR A 198
ASP A 203
SER A 206
None
1.33A 2x45C-2jc6A:
undetectable
2x45C-2jc6A:
17.88
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.
2jjd RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE EPSILON


(Homo sapiens)
PF00102
(Y_phosphatase)
4 VAL A 686
TYR A 683
VAL A 658
ASP A 657
None
1.31A 2x45C-2jjdA:
undetectable
2x45C-2jjdA:
14.01
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.
2n7g POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 2


(Homo sapiens)
PF00027
(cNMP_binding)
4 TYR A  70
VAL A  60
ASP A  64
SER A 108
None
1.35A 2x45C-2n7gA:
undetectable
2x45C-2n7gA:
19.32
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens)
PF01979
(Amidohydro_1)
4 TYR A 464
VAL A 453
ASP A 450
SER A 334
None
1.25A 2x45C-2oodA:
undetectable
2x45C-2oodA:
14.16
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.
2ozu HISTONE
ACETYLTRANSFERASE
MYST3


(Homo sapiens)
PF01853
(MOZ_SAS)
4 VAL A 617
TYR A 616
ASP A 582
SER A 586
None
1.21A 2x45C-2ozuA:
undetectable
2x45C-2ozuA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p8t HYPOTHETICAL PROTEIN
PH0730


(Pyrococcus
horikoshii)
PF14544
(DUF4443)
4 VAL A 101
TYR A 158
VAL A 130
ASP A 160
None
1.26A 2x45C-2p8tA:
undetectable
2x45C-2p8tA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgq DOMAIN OF UNKNOWN
FUNCTION WITH A
CYSTATIN-LIKE FOLD


(Nostoc
punctiforme)
PF13577
(SnoaL_4)
4 VAL A  92
VAL A 126
ASP A 127
SER A 129
None
1.27A 2x45C-2rgqA:
undetectable
2x45C-2rgqA:
16.67
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.
2tnf PROTEIN (TUMOR
NECROSIS FACTOR
ALPHA)


(Mus musculus)
PF00229
(TNF)
4 VAL A  58
TYR A  56
VAL A  50
ASP A 130
None
1.30A 2x45C-2tnfA:
undetectable
2x45C-2tnfA:
19.16
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens)
PF01839
(FG-GAP)
PF13517
(VCBS)
4 VAL A 241
TYR A 253
VAL A 182
SER A 172
None
1.25A 2x45C-2vc2A:
undetectable
2x45C-2vc2A:
14.98
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.
2w7w SUPEROXIDE DISMUTASE
[FE]


(Aliivibrio
salmonicida)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 TYR A 175
VAL A 157
ASP A 158
SER A 122
None
None
FE  A1195 (-2.5A)
None
1.24A 2x45C-2w7wA:
undetectable
2x45C-2w7wA:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x46 ALLERGEN ARG R 1

(Argas reflexus)
PF02098
(His_binding)
4 VAL A  53
TYR A  69
VAL A  94
ASP A  97
TRS  A1160 (-4.1A)
None
None
None
0.92A 2x45C-2x46A:
29.4
2x45C-2x46A:
99.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x46 ALLERGEN ARG R 1

(Argas reflexus)
PF02098
(His_binding)
4 VAL A  53
TYR A  69
VAL A  94
SER A  99
TRS  A1160 (-4.1A)
None
None
None
0.71A 2x45C-2x46A:
29.4
2x45C-2x46A:
99.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE


(Bifidobacterium
longum)
PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C)
4 VAL A 576
TYR A 584
ASP A 758
SER A 797
None
1.35A 2x45C-2zxqA:
undetectable
2x45C-2zxqA:
7.71
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.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens)
PF00150
(Cellulase)
4 VAL A  60
TYR A  95
VAL A   5
ASP A  93
None
1.28A 2x45C-3a3hA:
undetectable
2x45C-3a3hA:
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like)
4 VAL A 529
TYR A 467
VAL A 554
SER A 440
None
1.15A 2x45C-3abzA:
undetectable
2x45C-3abzA:
10.43
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404


(Pyrococcus
horikoshii)
PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7)
4 VAL A 390
VAL A 216
ASP A 217
SER A 203
None
1.29A 2x45C-3af5A:
undetectable
2x45C-3af5A:
10.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b0h NITRITE REDUCTASE

(Nicotiana
tabacum)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
4 VAL A 229
TYR A 200
VAL A 195
ASP A 196
None
1.32A 2x45C-3b0hA:
undetectable
2x45C-3b0hA:
13.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bu1 LIPOCALIN

(Argas
monolakensis)
PF02098
(His_binding)
5 VAL A  37
TYR A  53
VAL A  78
ASP A  81
SER A  83
None
None
None
None
HSM  A 301 ( 4.0A)
0.53A 2x45C-3bu1A:
25.9
2x45C-3bu1A:
48.30
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.
3cpq 50S RIBOSOMAL
PROTEIN L30E


(Methanocaldococcus
jannaschii)
PF01248
(Ribosomal_L7Ae)
4 VAL A  42
TYR A  67
VAL A   9
SER A  97
None
1.11A 2x45C-3cpqA:
undetectable
2x45C-3cpqA:
20.95
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.
3ed4 ARYLSULFATASE

(Escherichia
coli)
PF00884
(Sulfatase)
4 TYR A 285
VAL A 241
ASP A  52
SER A 318
None
None
NA  A 519 (-3.0A)
None
1.26A 2x45C-3ed4A:
undetectable
2x45C-3ed4A:
13.11
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.
3ewr NON-STRUCTURAL
PROTEIN 3


(Human
coronavirus
229E)
PF01661
(Macro)
4 VAL A  52
TYR A  53
VAL A  20
ASP A  19
None
None
APR  A 169 (-4.3A)
None
1.33A 2x45C-3ewrA:
undetectable
2x45C-3ewrA:
18.39
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN


(Bacteroides
thetaiotaomicron)
PF10282
(Lactonase)
4 VAL A  40
TYR A  52
VAL A 373
ASP A 374
None
1.20A 2x45C-3fgbA:
undetectable
2x45C-3fgbA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 VAL A 425
VAL A 402
ASP A 401
SER A 395
None
1.30A 2x45C-3g25A:
undetectable
2x45C-3g25A:
15.46
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.
3hid ADENYLOSUCCINATE
SYNTHETASE


(Yersinia pestis)
PF00709
(Adenylsucc_synt)
4 VAL A 403
VAL A 316
ASP A 312
SER A 271
None
1.07A 2x45C-3hidA:
undetectable
2x45C-3hidA:
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.
3iuu PUTATIVE
METALLOPEPTIDASE


(Chelativorans
sp. BNC1)
PF07171
(MlrC_C)
PF07364
(DUF1485)
4 VAL A 232
VAL A 238
ASP A 237
SER A  17
None
1.33A 2x45C-3iuuA:
undetectable
2x45C-3iuuA:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jxa CONTACTIN 4

(Mus musculus)
PF07679
(I-set)
PF13927
(Ig_3)
4 VAL A  79
TYR A  77
VAL A  69
ASP A  70
None
1.28A 2x45C-3jxaA:
undetectable
2x45C-3jxaA:
17.68
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.
3l5h INTERLEUKIN-6
RECEPTOR SUBUNIT
BETA


(Homo sapiens)
PF00041
(fn3)
PF06328
(Lep_receptor_Ig)
PF09240
(IL6Ra-bind)
4 TYR A 555
VAL A 548
ASP A 549
SER A 551
None
1.15A 2x45C-3l5hA:
undetectable
2x45C-3l5hA:
12.59
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.
3ljf IRON SUPEROXIDE
DISMUTASE


(Pseudoalteromonas
haloplanktis)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 TYR A 174
VAL A 156
ASP A 157
SER A 121
None
None
FE  A5000 (-2.6A)
None
1.27A 2x45C-3ljfA:
undetectable
2x45C-3ljfA:
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.
3m9q PROTEIN
MALE-SPECIFIC
LETHAL-3


(Drosophila
melanogaster)
no annotation 4 VAL A  67
TYR A  52
VAL A  35
SER A  33
None
1.27A 2x45C-3m9qA:
undetectable
2x45C-3m9qA:
16.43
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.
3mfn UNCHARACTERIZED
PROTEIN


(Dyadobacter
fermentans)
no annotation 4 VAL A  44
TYR A  38
VAL A 113
ASP A 109
None
1.05A 2x45C-3mfnA:
undetectable
2x45C-3mfnA:
19.75
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.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I


(Burkholderia
lata)
PF00117
(GATase)
PF00425
(Chorismate_bind)
4 VAL A 488
TYR A 485
VAL A 480
ASP A 481
None
0.90A 2x45C-3r75A:
undetectable
2x45C-3r75A:
11.42
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]


(Saccharomyces
cerevisiae)
PF05222
(AlaDh_PNT_N)
4 VAL A 305
VAL A 275
ASP A 277
SER A 317
None
1.31A 2x45C-3ugkA:
undetectable
2x45C-3ugkA:
16.30
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.
3v4p INTEGRIN ALPHA-4

(Homo sapiens)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
4 VAL A 353
TYR A 370
VAL A 306
SER A 276
None
1.21A 2x45C-3v4pA:
undetectable
2x45C-3v4pA:
13.73
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.
3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE


(Sulfolobus
solfataricus)
PF00128
(Alpha-amylase)
PF09071
(Alpha-amyl_C)
4 VAL A 361
VAL A 307
ASP A 309
SER A 338
None
1.29A 2x45C-3vgfA:
undetectable
2x45C-3vgfA:
12.69
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.
3vly NITRITE REDUCTASE

(Nicotiana
tabacum)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
4 VAL A 229
TYR A 200
VAL A 195
ASP A 196
None
1.31A 2x45C-3vlyA:
undetectable
2x45C-3vlyA:
13.87
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.
3wxm PROTEIN PELOTA
HOMOLOG


(Aeropyrum
pernix)
PF03463
(eRF1_1)
PF03465
(eRF1_3)
4 VAL B 175
TYR B 174
VAL B 134
ASP B 135
None
1.22A 2x45C-3wxmB:
undetectable
2x45C-3wxmB:
14.95
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.
4a8j ELONGATOR COMPLEX
PROTEIN 5


(Saccharomyces
cerevisiae)
PF10483
(Elong_Iki1)
4 VAL B 184
VAL B 173
ASP B 172
SER B  30
None
0.96A 2x45C-4a8jB:
undetectable
2x45C-4a8jB:
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.
4aio LIMIT DEXTRINASE

(Hordeum vulgare)
PF02922
(CBM_48)
PF11852
(DUF3372)
4 VAL A 467
VAL A 400
ASP A 399
SER A 309
None
1.12A 2x45C-4aioA:
undetectable
2x45C-4aioA:
9.98
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.
4ang COAT PROTEIN

(Pseudomonas
phage PRR1)
PF01819
(Levi_coat)
4 VAL A 106
VAL A  89
ASP A  90
SER A  59
None
1.33A 2x45C-4angA:
undetectable
2x45C-4angA:
22.30
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.
4cu8 GLYCOSIDE HYDROLASE
2


(Streptococcus
pneumoniae)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
4 VAL A 365
TYR A 351
VAL A 333
ASP A 381
None
None
EDO  A2001 (-4.8A)
EDO  A2001 (-4.1A)
1.13A 2x45C-4cu8A:
undetectable
2x45C-4cu8A:
10.12
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.
4d9r COMPLEMENT FACTOR D

(Homo sapiens)
PF00089
(Trypsin)
4 VAL A  45
TYR A  29
VAL A 200
ASP A 137
None
1.10A 2x45C-4d9rA:
undetectable
2x45C-4d9rA:
19.56
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.
4f6a BH1408 PROTEIN

(Bacillus
halodurans)
PF00583
(Acetyltransf_1)
4 VAL A  89
TYR A  90
ASP A  93
SER A  70
None
1.16A 2x45C-4f6aA:
undetectable
2x45C-4f6aA:
19.08
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.
4fl0 AMINOTRANSFERASE
ALD1


(Arabidopsis
thaliana)
PF00155
(Aminotran_1_2)
4 VAL A 192
TYR A 189
VAL A 174
ASP A 171
None
1.07A 2x45C-4fl0A:
undetectable
2x45C-4fl0A:
16.98
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.
4gwr PROTEIN
DISULFIDE-ISOMERASE
A6


(Homo sapiens)
PF00085
(Thioredoxin)
4 VAL A 183
VAL A 174
ASP A 171
SER A 169
None
1.14A 2x45C-4gwrA:
undetectable
2x45C-4gwrA:
21.47
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.
4idj FAB HEAVY CHAIN

(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 VAL H 121
VAL H 150
ASP H 199
SER H 153
None
1.07A 2x45C-4idjH:
undetectable
2x45C-4idjH:
22.75
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.
4ig7 UBIQUITIN C-TERMINAL
HYDROLASE 37


(Trichinella
spiralis)
PF01088
(Peptidase_C12)
4 VAL A 166
TYR A 173
VAL A  74
ASP A  73
None
1.23A 2x45C-4ig7A:
undetectable
2x45C-4ig7A:
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.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10


(Mycobacterium
tuberculosis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 VAL A 291
TYR A 293
VAL A 303
ASP A 302
None
1.23A 2x45C-4isbA:
undetectable
2x45C-4isbA:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ozu CORONIN

(Toxoplasma
gondii)
PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4)
4 VAL A 390
TYR A 362
VAL A 323
ASP A 324
None
1.02A 2x45C-4ozuA:
undetectable
2x45C-4ozuA:
17.59
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.
4pvg TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11


(Homo sapiens)
PF00102
(Y_phosphatase)
4 VAL A 518
TYR A 515
VAL A 490
ASP A 489
None
1.25A 2x45C-4pvgA:
undetectable
2x45C-4pvgA:
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV


(Bacteroides
ovatus)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
4 VAL A 228
TYR A 230
VAL A 682
ASP A 678
None
1.31A 2x45C-4q1vA:
undetectable
2x45C-4q1vA:
11.88
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.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2


(Erythrobacter
litoralis)
PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2)
4 VAL A 232
VAL A 270
ASP A 228
SER A 268
None
1.08A 2x45C-4r3aA:
undetectable
2x45C-4r3aA:
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.
4xax CARD

(Thermus
thermophilus)
PF02559
(CarD_CdnL_TRCF)
4 VAL B  49
TYR B  36
VAL B  20
ASP B   8
None
1.29A 2x45C-4xaxB:
undetectable
2x45C-4xaxB:
17.54
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.
4xcm CELL WALL-BINDING
ENDOPEPTIDASE-RELATE
D PROTEIN


(Thermus
thermophilus)
PF00877
(NLPC_P60)
PF01476
(LysM)
4 VAL A 159
TYR A 163
VAL A 244
ASP A 191
None
1.29A 2x45C-4xcmA:
undetectable
2x45C-4xcmA:
17.06
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.
4xr7 PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3


(Saccharomyces
cerevisiae)
no annotation 4 VAL L 313
TYR L 322
VAL L 374
ASP L 359
None
1.30A 2x45C-4xr7L:
undetectable
2x45C-4xr7L:
16.01
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.
5a6s ENDOLYSIN

(Clostridium
phage phiCTP1)
PF01183
(Glyco_hydro_25)
4 VAL A  90
TYR A  59
ASP A 177
SER A 179
None
SO4  A1274 (-4.5A)
SO4  A1274 (-3.4A)
None
0.62A 2x45C-5a6sA:
undetectable
2x45C-5a6sA:
20.27
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.
5axh DEXTRANASE

(Thermoanaerobacter
pseudethanolicus)
PF13199
(Glyco_hydro_66)
4 VAL A 404
TYR A 152
VAL A 350
ASP A 369
None
1.24A 2x45C-5axhA:
undetectable
2x45C-5axhA:
13.71
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.
5c4q BROMODOMAIN

(Leishmania
donovani)
PF00439
(Bromodomain)
4 VAL A  48
TYR A  45
VAL A  36
ASP A  53
None
UNX  A 203 ( 4.4A)
BMF  A 201 (-4.6A)
None
1.31A 2x45C-5c4qA:
undetectable
2x45C-5c4qA:
18.59
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.
5ei0 SERPIN A12

(Homo sapiens)
PF00079
(Serpin)
4 VAL A 249
TYR A 247
VAL A 306
ASP A 305
None
1.09A 2x45C-5ei0A:
undetectable
2x45C-5ei0A:
15.57
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.
5ful PROTEIN ARGININE
N-METHYLTRANSFERASE
2


(Mus musculus)
PF05175
(MTS)
4 VAL A 140
TYR A 137
VAL A 221
ASP A 155
None
None
None
SAH  A1446 ( 4.5A)
1.32A 2x45C-5fulA:
undetectable
2x45C-5fulA:
13.68
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.
5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1


(Homo sapiens)
PF03071
(GNT-I)
PF15711
(ILEI)
4 VAL A 278
TYR A 275
VAL A 347
ASP A 346
None
1.03A 2x45C-5gggA:
undetectable
2x45C-5gggA:
15.37
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.
5gin C/D BOX METHYLATION
GUIDE
RIBONUCLEOPROTEIN
COMPLEX ANOP56
SUBUNIT


(Sulfolobus
solfataricus)
PF01798
(Nop)
4 VAL A  14
TYR A  25
ASP A 103
SER A  96
None
1.28A 2x45C-5ginA:
undetectable
2x45C-5ginA:
15.68
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.
5gjn LYSINE/ORNITHINE
DECARBOXYLASE


(Selenomonas
ruminantium)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
4 VAL A 110
TYR A  92
VAL A  71
ASP A  70
None
1.32A 2x45C-5gjnA:
undetectable
2x45C-5gjnA:
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.
5gtk BETAINE-ALDEHYDE
DEHYDROGENASE


(Bacillus cereus)
PF00171
(Aldedh)
4 VAL A 308
TYR A 313
VAL A 317
ASP A 318
None
1.26A 2x45C-5gtkA:
undetectable
2x45C-5gtkA:
12.75
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.
5i6v TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11


(Homo sapiens)
PF00017
(SH2)
PF00102
(Y_phosphatase)
4 VAL A 518
TYR A 515
VAL A 490
ASP A 489
None
1.22A 2x45C-5i6vA:
undetectable
2x45C-5i6vA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jc8 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE


(Paraburkholderia
xenovorans)
PF13561
(adh_short_C2)
4 VAL A  44
VAL A  72
ASP A  71
SER A  77
None
1.27A 2x45C-5jc8A:
undetectable
2x45C-5jc8A:
16.42
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.
5lb3 ATP-DEPENDENT DNA
HELICASE Q5


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind)
4 VAL B 162
TYR B 173
VAL B 156
ASP B 157
None
None
None
MG  B 503 ( 4.0A)
1.10A 2x45C-5lb3B:
undetectable
2x45C-5lb3B:
15.06
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.
5lb8 ATP-DEPENDENT DNA
HELICASE Q5


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind)
4 VAL A 162
TYR A 173
VAL A 156
ASP A 157
None
1.33A 2x45C-5lb8A:
undetectable
2x45C-5lb8A:
15.76
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.
5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN


(Escherichia
coli)
PF00258
(Flavodoxin_1)
PF00301
(Rubredoxin)
PF00753
(Lactamase_B)
4 VAL A  76
TYR A 101
VAL A 124
ASP A 128
None
1.33A 2x45C-5lmcA:
undetectable
2x45C-5lmcA:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN


(Segniliparus
rugosus)
PF00501
(AMP-binding)
PF00550
(PP-binding)
4 VAL A 458
TYR A 463
VAL A 508
ASP A 521
None
1.29A 2x45C-5mswA:
undetectable
2x45C-5mswA:
7.49
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.
5txk UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE
35,UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 35


(Homo sapiens)
no annotation 4 VAL A 850
TYR A 866
VAL A 909
ASP A 916
None
0.87A 2x45C-5txkA:
undetectable
2x45C-5txkA:
17.99
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.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'


(Mycobacterium
tuberculosis)
PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
4 VAL D 965
TYR D 979
VAL D 995
SER D 881
None
1.27A 2x45C-5uheD:
undetectable
2x45C-5uheD:
6.97
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.
5up2 N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR2A


(Xenopus laevis)
PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd)
4 VAL B 701
VAL B 722
ASP B 719
SER B 499
None
1.29A 2x45C-5up2B:
undetectable
2x45C-5up2B:
10.77
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.
5xon TRANSCRIPTION
ELONGATION FACTOR
SPT4


(Komagataella
phaffii)
PF06093
(Spt4)
4 VAL V  58
TYR V  82
VAL V  74
SER V  66
None
1.12A 2x45C-5xonV:
undetectable
2x45C-5xonV:
20.26
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.
5xya -

(-)
no annotation 4 VAL A1527
TYR A1526
VAL A1002
ASP A 587
None
1.28A 2x45C-5xyaA:
undetectable
2x45C-5xyaA:
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.
5zl9 CHITINASE AB

(Serratia
marcescens)
no annotation 4 VAL A 530
TYR A 529
VAL A 426
SER A 391
None
1.21A 2x45C-5zl9A:
undetectable
2x45C-5zl9A:
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.
6acd -

(-)
no annotation 4 VAL A 496
TYR A 494
VAL A 394
ASP A 392
None
1.18A 2x45C-6acdA:
undetectable
2x45C-6acdA:
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.
6c4n PSEUDOPALINE
DEHYDROGENASE


(Pseudomonas
aeruginosa)
no annotation 4 VAL A 122
TYR A 150
VAL A  23
ASP A  26
None
NAP  A 501 (-4.7A)
None
None
1.20A 2x45C-6c4nA:
undetectable
2x45C-6c4nA:
15.86
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.
6d4j PROTEIN PATCHED
HOMOLOG 1


(Homo sapiens)
no annotation 4 VAL A 477
VAL A 510
ASP A 513
SER A1132
None
1.26A 2x45C-6d4jA:
undetectable
2x45C-6d4jA:
17.01
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3


(Homo sapiens)
no annotation 4 VAL A 959
TYR A 970
VAL A 925
SER A 890
None
0.84A 2x45C-6en4A:
undetectable
2x45C-6en4A:
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.
6epd PROTEASOME SUBUNIT
BETA TYPE-4


(Rattus
norvegicus)
no annotation 4 VAL 7 219
TYR 7 222
VAL 7  55
ASP 7 100
None
1.15A 2x45C-6epd7:
undetectable
2x45C-6epd7:
19.15