SIMILAR PATTERNS OF AMINO ACIDS FOR 3W1W_B_CHDB503_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.
1al8 GLYCOLATE OXIDASE

(Spinacia
oleracea)
PF01070
(FMN_dh)
3 LEU A 174
PRO A 175
LEU A 178
None
0.42A 3w1wB-1al8A:
0.8
3w1wB-1al8A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE


(Serratia
marcescens)
PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C)
3 LEU A 410
PRO A 411
LEU A 112
None
0.48A 3w1wB-1c7tA:
undetectable
3w1wB-1c7tA:
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.
1chm CREATINE
AMIDINOHYDROLASE


(Pseudomonas
putida)
PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
3 LEU A 363
PRO A 364
LEU A 367
None
0.49A 3w1wB-1chmA:
undetectable
3w1wB-1chmA:
21.43
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.
1evj GLUCOSE-FRUCTOSE
OXIDOREDUCTASE


(Zymomonas
mobilis)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
3 LEU A 106
PRO A 107
LEU A 110
NAD  A 500 (-3.9A)
NAD  A 500 (-4.5A)
None
0.35A 3w1wB-1evjA:
0.4
3w1wB-1evjA:
19.06
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.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae)
PF00026
(Asp)
3 LEU A 223
PRO A 224
LEU A 227
None
0.37A 3w1wB-1g0vA:
undetectable
3w1wB-1g0vA:
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.
1gwi CYTOCHROME P450
154C1


(Streptomyces
coelicolor)
PF00067
(p450)
3 LEU A  37
PRO A  38
LEU A  82
None
0.47A 3w1wB-1gwiA:
undetectable
3w1wB-1gwiA:
23.31
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.
1h6d PRECURSOR FORM OF
GLUCOSE-FRUCTOSE
OXIDOREDUCTASE


(Zymomonas
mobilis)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
3 LEU A 158
PRO A 159
LEU A 162
NDP  A 500 (-4.1A)
NDP  A 500 (-4.1A)
None
0.40A 3w1wB-1h6dA:
2.4
3w1wB-1h6dA:
19.43
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.
1kvk MEVALONATE KINASE

(Rattus
norvegicus)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
3 LEU A 137
PRO A 138
LEU A 143
None
0.46A 3w1wB-1kvkA:
undetectable
3w1wB-1kvkA:
23.58
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.
1lln ANTIVIRAL PROTEIN 3

(Phytolacca
americana)
PF00161
(RIP)
3 LEU A 226
PRO A 227
LEU A 230
None
None
MLY  A 231 ( 4.0A)
0.36A 3w1wB-1llnA:
undetectable
3w1wB-1llnA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ni5 PUTATIVE CELL CYCLE
PROTEIN MESJ


(Escherichia
coli)
PF01171
(ATP_bind_3)
PF09179
(TilS)
PF11734
(TilS_C)
3 LEU A 332
PRO A 333
LEU A 336
None
0.45A 3w1wB-1ni5A:
3.5
3w1wB-1ni5A:
21.46
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.
1obg PHOSPHORIBOSYLAMIDOI
MIDAZOLE-
SUCCINOCARBOXAMIDE
SYNTHASE


(Saccharomyces
cerevisiae)
PF01259
(SAICAR_synt)
3 LEU A  89
PRO A  90
LEU A  93
None
0.46A 3w1wB-1obgA:
undetectable
3w1wB-1obgA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1or7 RNA POLYMERASE
SIGMA-E FACTOR


(Escherichia
coli)
PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2)
3 LEU A 138
PRO A 139
LEU A 142
None
0.47A 3w1wB-1or7A:
undetectable
3w1wB-1or7A:
18.92
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.
1pp0 VOLVATOXIN A2

(Volvariella
volvacea)
PF01338
(Bac_thur_toxin)
3 LEU A  13
PRO A  14
LEU A  17
None
0.43A 3w1wB-1pp0A:
undetectable
3w1wB-1pp0A:
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.
1qas PHOSPHOLIPASE C
DELTA-1


(Rattus
norvegicus)
PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like)
3 LEU A 425
PRO A 426
LEU A 302
None
0.31A 3w1wB-1qasA:
3.7
3w1wB-1qasA:
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.
1us7 HSP90 CO-CHAPERONE
CDC37


(Homo sapiens)
PF08564
(CDC37_C)
PF08565
(CDC37_M)
3 LEU B 301
PRO B 302
LEU B 305
None
0.42A 3w1wB-1us7B:
undetectable
3w1wB-1us7B:
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.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE


(Thermus
thermophilus)
PF00202
(Aminotran_3)
3 LEU A 100
PRO A 101
LEU A 104
None
0.47A 3w1wB-1vefA:
2.9
3w1wB-1vefA:
22.20
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.
1vqr HYPOTHETICAL PROTEIN
CJ0248


(Campylobacter
jejuni)
PF08668
(HDOD)
3 LEU A  16
PRO A  17
LEU A  51
None
0.47A 3w1wB-1vqrA:
2.3
3w1wB-1vqrA:
23.58
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.
1wju NEDD8 ULTIMATE
BUSTER-1


(Homo sapiens)
no annotation 3 LEU A  22
PRO A  23
LEU A  26
None
0.20A 3w1wB-1wjuA:
undetectable
3w1wB-1wjuA:
13.18
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.
1wm9 GTP CYCLOHYDROLASE I

(Thermus
thermophilus)
PF01227
(GTP_cyclohydroI)
3 LEU A 113
PRO A 114
LEU A 178
None
0.48A 3w1wB-1wm9A:
undetectable
3w1wB-1wm9A:
21.28
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.
1wp9 ATP-DEPENDENT RNA
HELICASE, PUTATIVE


(Pyrococcus
furiosus)
PF00270
(DEAD)
PF00271
(Helicase_C)
3 LEU A  30
PRO A  31
LEU A  34
PO4  A 495 ( 4.7A)
None
None
0.38A 3w1wB-1wp9A:
5.2
3w1wB-1wp9A:
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.
1xdn RNA EDITING LIGASE
MP52


(Trypanosoma
brucei)
PF09414
(RNA_ligase)
3 LEU A 266
PRO A 265
LEU A 269
None
0.46A 3w1wB-1xdnA:
undetectable
3w1wB-1xdnA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yc6 COAT PROTEIN

(Brome mosaic
virus)
no annotation 3 LEU A  73
PRO A  74
LEU A  77
None
0.48A 3w1wB-1yc6A:
undetectable
3w1wB-1yc6A:
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.
1zh8 OXIDOREDUCTASE

(Thermotoga
maritima)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
3 LEU A  78
PRO A  79
LEU A  82
NAP  A 400 (-4.7A)
NAP  A 400 (-4.5A)
NAP  A 400 (-4.7A)
0.44A 3w1wB-1zh8A:
undetectable
3w1wB-1zh8A:
24.82
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.
2a33 HYPOTHETICAL PROTEIN

(Arabidopsis
thaliana)
PF03641
(Lysine_decarbox)
3 LEU A 116
PRO A 117
LEU A  57
None
0.38A 3w1wB-2a33A:
3.0
3w1wB-2a33A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a3k PROTEIN TYROSINE
PHOSPHATASE,
NON-RECEPTOR TYPE 7,
ISOFORM 1


(Homo sapiens)
PF00102
(Y_phosphatase)
3 LEU A 129
PRO A 130
LEU A 114
None
0.47A 3w1wB-2a3kA:
undetectable
3w1wB-2a3kA:
21.15
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.
2b5i CYTOKINE RECEPTOR
COMMON GAMMA CHAIN


(Homo sapiens)
PF00041
(fn3)
PF09240
(IL6Ra-bind)
3 LEU C  35
PRO C  36
LEU C 110
None
0.39A 3w1wB-2b5iC:
undetectable
3w1wB-2b5iC:
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.
2c2y METHYLENETETRAHYDROF
OLATE
DEHYDROGENASE-METHEN
YLTETRAHYDROFOLATE
CYCLOHYDROLASE


(Mycobacterium
tuberculosis)
PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C)
3 LEU A 100
PRO A 101
LEU A 104
None
0.40A 3w1wB-2c2yA:
2.8
3w1wB-2c2yA:
21.02
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT


(Klebsiella
oxytoca)
PF08841
(DDR)
3 LEU A 508
PRO A 509
LEU A 512
None
0.48A 3w1wB-2d0oA:
2.6
3w1wB-2d0oA:
20.13
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.
2dkk CYTOCHROME P450

(Streptomyces
coelicolor)
PF00067
(p450)
3 LEU A  47
PRO A  48
LEU A  85
None
0.46A 3w1wB-2dkkA:
undetectable
3w1wB-2dkkA:
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.
2erj CYTOKINE RECEPTOR
COMMON GAMMA CHAIN


(Homo sapiens)
PF00041
(fn3)
PF09240
(IL6Ra-bind)
3 LEU C  35
PRO C  36
LEU C 110
None
0.36A 3w1wB-2erjC:
undetectable
3w1wB-2erjC:
21.66
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.
2g18 PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE


(Anabaena sp.)
PF05996
(Fe_bilin_red)
3 LEU A  39
PRO A  40
LEU A  43
None
0.45A 3w1wB-2g18A:
undetectable
3w1wB-2g18A:
21.10
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.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
3 LEU A1003
PRO A1004
LEU A1007
None
0.49A 3w1wB-2gv9A:
undetectable
3w1wB-2gv9A:
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.
2h31 MULTIFUNCTIONAL
PROTEIN ADE2


(Homo sapiens)
PF00731
(AIRC)
PF01259
(SAICAR_synt)
3 LEU A 368
PRO A 369
LEU A 372
None
0.41A 3w1wB-2h31A:
3.9
3w1wB-2h31A:
20.54
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.
2lwx ZUOTIN

(Saccharomyces
cerevisiae)
PF16717
(RAC_head)
3 LEU A 424
PRO A 425
LEU A 428
None
0.48A 3w1wB-2lwxA:
undetectable
3w1wB-2lwxA:
15.72
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.
2np5 TRANSCRIPTIONAL
REGULATOR


(Rhodococcus
jostii)
PF00440
(TetR_N)
PF13977
(TetR_C_6)
3 LEU A  93
PRO A  94
LEU A 176
None
0.44A 3w1wB-2np5A:
undetectable
3w1wB-2np5A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ps2 PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(Aspergillus
oryzae)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 LEU A 213
PRO A 214
LEU A 217
None
0.45A 3w1wB-2ps2A:
3.7
3w1wB-2ps2A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r3v MEVALONATE KINASE

(Homo sapiens)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
3 LEU A 137
PRO A 138
LEU A 143
None
0.48A 3w1wB-2r3vA:
undetectable
3w1wB-2r3vA:
22.53
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.
2vnu EXOSOME COMPLEX
EXONUCLEASE RRP44


(Saccharomyces
cerevisiae)
PF00773
(RNB)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1)
3 LEU D 604
PRO D 605
LEU D 608
None
0.47A 3w1wB-2vnuD:
undetectable
3w1wB-2vnuD:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE


(Thermobacillus
xylanilyticus)
PF06964
(Alpha-L-AF_C)
3 LEU A 399
PRO A 400
LEU A 421
None
0.27A 3w1wB-2vrkA:
undetectable
3w1wB-2vrkA:
20.28
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.
2vwk DNA POLYMERASE

(Thermococcus
gorgonarius)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
3 LEU A 571
PRO A 572
LEU A 575
None
0.47A 3w1wB-2vwkA:
undetectable
3w1wB-2vwkA:
16.58
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N


(Thermosynechococcus
elongatus)
PF00148
(Oxidored_nitro)
3 LEU A 374
PRO A 375
LEU A   9
None
0.45A 3w1wB-2xdqA:
2.6
3w1wB-2xdqA:
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.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME


(Homo sapiens)
PF01401
(Peptidase_M2)
3 LEU A 375
PRO A 376
LEU A 379
None
0.41A 3w1wB-2xydA:
undetectable
3w1wB-2xydA:
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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]


(Thermus
thermophilus)
PF00117
(GATase)
PF00958
(GMP_synt_C)
3 LEU A 342
PRO A 343
LEU A 346
None
0.47A 3w1wB-2ywbA:
2.6
3w1wB-2ywbA:
22.24
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.
2yxy HYPOTHETICAL
CONSERVED PROTEIN,
GK0453


(Geobacillus
kaustophilus)
PF08838
(DUF1811)
3 LEU A 100
PRO A 101
LEU A 104
None
0.48A 3w1wB-2yxyA:
undetectable
3w1wB-2yxyA:
14.48
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.
2yys PROLINE
IMINOPEPTIDASE-RELAT
ED PROTEIN


(Thermus
thermophilus)
PF12697
(Abhydrolase_6)
3 LEU A  69
PRO A  70
LEU A  75
None
0.43A 3w1wB-2yysA:
3.2
3w1wB-2yysA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zzg ALANYL-TRNA
SYNTHETASE


(Pyrococcus
horikoshii)
PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD)
3 LEU A 722
PRO A 723
LEU A 727
None
0.37A 3w1wB-2zzgA:
undetectable
3w1wB-2zzgA:
17.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens)
PF00762
(Ferrochelatase)
3 LEU A 101
PRO A 102
LEU A 107
CHD  A   3 ( 4.9A)
CHD  A   3 ( 4.7A)
CHD  A   3 ( 4.6A)
0.38A 3w1wB-3aqiA:
60.3
3w1wB-3aqiA:
99.72
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.
3bb7 INTERPAIN A

(Prevotella
intermedia)
PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69)
3 LEU A 142
PRO A 143
LEU A 150
None
0.41A 3w1wB-3bb7A:
undetectable
3w1wB-3bb7A:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bba INTERPAIN A

(Prevotella
intermedia)
PF01640
(Peptidase_C10)
3 LEU A 142
PRO A 143
LEU A 150
None
0.38A 3w1wB-3bbaA:
undetectable
3w1wB-3bbaA:
18.18
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.
3bxj RAS
GTPASE-ACTIVATING
PROTEIN SYNGAP


(Rattus
norvegicus)
PF00168
(C2)
PF00616
(RasGAP)
3 LEU A 397
PRO A 398
LEU A 401
None
0.49A 3w1wB-3bxjA:
undetectable
3w1wB-3bxjA:
22.73
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE


(Mycobacterium
tuberculosis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
3 LEU A 449
PRO A 450
LEU A 453
None
0.47A 3w1wB-3ce6A:
4.5
3w1wB-3ce6A:
20.12
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.
3ctd PUTATIVE ATPASE, AAA
FAMILY


(Prochlorococcus
marinus)
PF12002
(MgsA_C)
PF16193
(AAA_assoc_2)
3 LEU A 398
PRO A 399
LEU A 402
None
0.40A 3w1wB-3ctdA:
undetectable
3w1wB-3ctdA:
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.
3dan CYTOCHROME P450 74A2

(Parthenium
argentatum)
PF00067
(p450)
3 LEU A 214
PRO A 215
LEU A 218
None
0.47A 3w1wB-3danA:
undetectable
3w1wB-3danA:
22.27
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.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21


(Actinoplanes
teichomyceticus)
PF02585
(PIG-L)
3 LEU A 197
PRO A 198
LEU A 201
None
0.38A 3w1wB-3dfiA:
1.4
3w1wB-3dfiA:
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.
3g1u ADENOSYLHOMOCYSTEINA
SE


(Leishmania
major)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
3 LEU A 391
PRO A 392
LEU A 395
None
0.46A 3w1wB-3g1uA:
4.4
3w1wB-3g1uA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM


(Serratia
plymuthica)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
3 LEU A 533
PRO A 534
LEU A 537
None
0.35A 3w1wB-3gbdA:
undetectable
3w1wB-3gbdA:
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.
3kio RIBONUCLEASE H2
SUBUNIT B


(Mus musculus)
PF09468
(RNase_H2-Ydr279)
3 LEU B  19
PRO B  20
LEU B  23
None
0.45A 3w1wB-3kioB:
undetectable
3w1wB-3kioB:
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.
3l7n PUTATIVE
UNCHARACTERIZED
PROTEIN


(Streptococcus
mutans)
PF00117
(GATase)
3 LEU A  39
PRO A  40
LEU A  76
None
0.38A 3w1wB-3l7nA:
undetectable
3w1wB-3l7nA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mmp RNA-DIRECTED RNA
POLYMERASE BETA
CHAIN


(Escherichia
virus Qbeta)
no annotation 3 LEU G 454
PRO G 455
LEU G 458
None
0.46A 3w1wB-3mmpG:
undetectable
3w1wB-3mmpG:
20.71
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.
3nyf D-ARGININE
DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF01266
(DAO)
3 LEU A1354
PRO A1355
LEU A1358
None
0.48A 3w1wB-3nyfA:
undetectable
3w1wB-3nyfA:
19.61
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC


(Escherichia
coli)
PF01266
(DAO)
PF05430
(Methyltransf_30)
3 LEU A 574
PRO A 575
LEU A 649
None
0.48A 3w1wB-3ps9A:
undetectable
3w1wB-3ps9A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pty ARABINOSYLTRANSFERAS
E C


(Mycobacterium
tuberculosis)
PF14896
(Arabino_trans_C)
3 LEU A 839
PRO A 840
LEU A 843
None
0.40A 3w1wB-3ptyA:
undetectable
3w1wB-3ptyA:
21.23
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.
3qr1 PHOSPHOLIPASE C-BETA
(PLC-BETA)


(Doryteuthis
pealeii)
PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like)
3 LEU A 456
PRO A 457
LEU A 329
None
0.48A 3w1wB-3qr1A:
2.7
3w1wB-3qr1A:
18.91
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.
3rc2 SUGAR
3-KETOREDUCTASE


(Actinomadura
kijaniata)
PF01408
(GFO_IDH_MocA)
3 LEU A  79
PRO A  80
LEU A  83
NAP  A 336 (-4.3A)
NAP  A 336 (-4.3A)
None
0.43A 3w1wB-3rc2A:
3.9
3w1wB-3rc2A:
24.88
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.
3rx8 CELLULASE

(Alicyclobacillus
acidocaldarius)
PF00759
(Glyco_hydro_9)
PF02927
(CelD_N)
3 LEU A 187
PRO A 188
LEU A 191
None
0.46A 3w1wB-3rx8A:
undetectable
3w1wB-3rx8A:
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.
3siu U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP31


(Homo sapiens)
PF01798
(Nop)
3 LEU B 283
PRO B 284
LEU B 287
None
0.29A 3w1wB-3siuB:
undetectable
3w1wB-3siuB:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
3 LEU A2087
PRO A2088
LEU A2091
None
0.45A 3w1wB-3vkgA:
undetectable
3w1wB-3vkgA:
7.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wa1 BINB PROTEIN

(Lysinibacillus
sphaericus)
PF05431
(Toxin_10)
3 LEU A 204
PRO A 205
LEU A  30
None
0.35A 3w1wB-3wa1A:
undetectable
3w1wB-3wa1A:
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.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560)
PF00144
(Beta-lactamase)
3 LEU A 118
PRO A 119
LEU A 154
None
0.38A 3w1wB-3wrtA:
undetectable
3w1wB-3wrtA:
20.78
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.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B)
PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C)
3 LEU A 443
PRO A 444
LEU A 447
None
0.47A 3w1wB-3zifA:
undetectable
3w1wB-3zifA:
18.42
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.
4a26 PUTATIVE
C-1-TETRAHYDROFOLATE
SYNTHASE,
CYTOPLASMIC


(Leishmania
major)
PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C)
3 LEU A 103
PRO A 104
LEU A 107
None
0.48A 3w1wB-4a26A:
3.5
3w1wB-4a26A:
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.
4a5o BIFUNCTIONAL PROTEIN
FOLD


(Pseudomonas
aeruginosa)
PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C)
3 LEU A 101
PRO A 102
LEU A 105
None
0.49A 3w1wB-4a5oA:
3.7
3w1wB-4a5oA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4akr F-ACTIN-CAPPING
PROTEIN SUBUNIT
ALPHA


(Dictyostelium
discoideum)
PF01267
(F-actin_cap_A)
3 LEU A  34
PRO A  35
LEU A  39
None
0.46A 3w1wB-4akrA:
undetectable
3w1wB-4akrA:
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1


(Mus musculus)
PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest)
3 LEU A 477
PRO A 478
LEU A 481
None
0.46A 3w1wB-4b56A:
undetectable
3w1wB-4b56A:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cyj PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3-LIKE PROTEIN


(Chaetomium
thermophilum)
no annotation 3 LEU A 244
PRO A 245
LEU A 253
None
0.36A 3w1wB-4cyjA:
undetectable
3w1wB-4cyjA:
22.63
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.
4fhr FLAGELLAR MOTOR
SWITCH PROTEIN FLIG


(Thermotoga
maritima)
PF01706
(FliG_C)
PF14841
(FliG_M)
3 LEU B 150
PRO B 151
LEU B 154
None
0.40A 3w1wB-4fhrB:
undetectable
3w1wB-4fhrB:
22.46
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
3 LEU A 571
PRO A 572
LEU A 575
LEU  A 571 ( 0.5A)
PRO  A 572 ( 1.1A)
LEU  A 575 ( 0.6A)
0.46A 3w1wB-4flxA:
undetectable
3w1wB-4flxA:
19.44
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.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB


(Acinetobacter
baumannii)
PF01636
(APH)
3 LEU A  81
PRO A  82
LEU A  72
None
0J9  A 302 (-4.5A)
None
0.39A 3w1wB-4gkhA:
undetectable
3w1wB-4gkhA:
21.98
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.
4h6b ALLENE OXIDE CYCLASE

(Physcomitrella
patens)
PF06351
(Allene_ox_cyc)
3 LEU A 154
PRO A 155
LEU A 158
None
0.48A 3w1wB-4h6bA:
undetectable
3w1wB-4h6bA:
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.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
3 LEU A 560
PRO A 561
LEU A 564
None
0.40A 3w1wB-4hozA:
2.9
3w1wB-4hozA:
20.63
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.
4i6m ACTIN-RELATED
PROTEIN 7


(Saccharomyces
cerevisiae)
PF00022
(Actin)
3 LEU A 446
PRO A 447
LEU A 451
None
0.47A 3w1wB-4i6mA:
2.8
3w1wB-4i6mA:
22.56
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus)
PF00972
(Flavi_NS5)
PF01728
(FtsJ)
3 LEU A 209
PRO A 210
LEU A 211
None
0.48A 3w1wB-4k6mA:
undetectable
3w1wB-4k6mA:
15.92
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.
4m00 SERINE-RICH ADHESIN
FOR PLATELETS


(Staphylococcus
aureus)
PF05345
(He_PIG)
3 LEU A 614
PRO A 615
LEU A 618
None
0.48A 3w1wB-4m00A:
undetectable
3w1wB-4m00A:
18.61
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.
4m03 SERINE-RICH ADHESIN
FOR PLATELETS


(Staphylococcus
aureus)
PF05345
(He_PIG)
3 LEU A 156
PRO A 157
LEU A 160
None
0.44A 3w1wB-4m03A:
undetectable
3w1wB-4m03A:
20.98
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.
4m03 SERINE-RICH ADHESIN
FOR PLATELETS


(Staphylococcus
aureus)
PF05345
(He_PIG)
3 LEU A 245
PRO A 246
LEU A 249
None
0.48A 3w1wB-4m03A:
undetectable
3w1wB-4m03A:
20.98
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.
4nt1 ACCELERATED-CELL-DEA
TH 11


(Arabidopsis
thaliana)
PF08718
(GLTP)
3 LEU A 158
PRO A 159
LEU A 127
None
0.30A 3w1wB-4nt1A:
undetectable
3w1wB-4nt1A:
20.11
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.
4ozt ECDYSONE RECEPTOR

(Pediculus
humanus)
PF00104
(Hormone_recep)
3 LEU E 508
PRO E 509
LEU E 512
None
0.49A 3w1wB-4oztE:
undetectable
3w1wB-4oztE:
22.13
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.
4pmw DIS3-LIKE
EXONUCLEASE 2


(Mus musculus)
PF00773
(RNB)
PF17216
(Rrp44_CSD1)
3 LEU A 442
PRO A 443
LEU A 446
None
0.44A 3w1wB-4pmwA:
undetectable
3w1wB-4pmwA:
19.20
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.
4q2u ANTITOXIN DINJ

(Escherichia
coli)
PF04221
(RelB)
3 LEU A  47
PRO A  48
LEU A  51
None
0.48A 3w1wB-4q2uA:
undetectable
3w1wB-4q2uA:
14.24
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.
4u4h TEGUMENT PROTEIN
UL21


(Human
alphaherpesvirus
1)
PF03252
(Herpes_UL21)
3 LEU A 180
PRO A 181
LEU A 184
None
0.43A 3w1wB-4u4hA:
undetectable
3w1wB-4u4hA:
19.58
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.
4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)


([Eubacterium]
rectale)
PF13416
(SBP_bac_8)
3 LEU A 286
PRO A 287
LEU A 298
None
0.32A 3w1wB-4uacA:
undetectable
3w1wB-4uacA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzv HEMOGLOBIN

(Thermobifida
fusca)
PF01152
(Bac_globin)
3 LEU A 132
PRO A 133
LEU A 136
None
0.47A 3w1wB-4uzvA:
undetectable
3w1wB-4uzvA:
17.07
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.
4wpz CYTOCHROME P450

(Streptomyces
avermitilis)
PF00067
(p450)
3 LEU A  22
PRO A  23
LEU A  26
None
0.47A 3w1wB-4wpzA:
undetectable
3w1wB-4wpzA:
22.17
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1


(Homo sapiens)
PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD)
3 LEU A1439
PRO A1440
LEU A1495
None
0.42A 3w1wB-4wxxA:
undetectable
3w1wB-4wxxA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8d SULFOXIDE SYNTHASE
EGTB


(Mycolicibacterium
thermoresistibile)
PF03781
(FGE-sulfatase)
PF12867
(DinB_2)
3 LEU A  93
PRO A  94
LEU A  79
None
0.45A 3w1wB-4x8dA:
undetectable
3w1wB-4x8dA:
20.35
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.
4ynv ACL4

(Chaetomium
thermophilum)
PF13432
(TPR_16)
3 LEU A 103
PRO A 104
LEU A 107
None
0.45A 3w1wB-4ynvA:
undetectable
3w1wB-4ynvA:
21.05
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.
4zas CALS13

(Micromonospora
echinospora)
PF01041
(DegT_DnrJ_EryC1)
3 LEU A 214
PRO A 215
LEU A 219
None
0.45A 3w1wB-4zasA:
2.3
3w1wB-4zasA:
22.91
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2


(Homo sapiens)
PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest)
3 LEU A 429
PRO A 430
LEU A 433
None
0.42A 3w1wB-4zg7A:
undetectable
3w1wB-4zg7A:
18.31
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.
4zwv PUTATIVE
AMINOTRANSFERASE


(Actinomadura
melliaura)
PF01041
(DegT_DnrJ_EryC1)
3 LEU A 199
PRO A 200
LEU A 204
None
0.49A 3w1wB-4zwvA:
2.4
3w1wB-4zwvA:
19.12
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.
5bw0 TYPE II SECRETION
SYSTEM PROTEIN J


(Pseudomonas
aeruginosa)
PF11612
(T2SSJ)
3 LEU A 177
PRO A 178
LEU A 199
None
0.33A 3w1wB-5bw0A:
undetectable
3w1wB-5bw0A:
21.01