SIMILAR PATTERNS OF AMINO ACIDS FOR 2XRL_A_DXTA1211_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a0f GLUTATHIONE
S-TRANSFERASE


(Escherichia
coli)
PF00043
(GST_C)
PF13409
(GST_N_2)
5 PRO A 111
THR A 124
VAL A 125
GLN A 128
LEU A 129
None
0.85A 2xrlA-1a0fA:
undetectable
2xrlA-1a0fA:
25.43
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.
1aug PYROGLUTAMYL
PEPTIDASE-1


(Bacillus
amyloliquefaciens)
PF01470
(Peptidase_C15)
5 ASN A  19
PHE A  10
VAL A  25
LEU A 193
ILE A 169
None
1.50A 2xrlA-1augA:
undetectable
2xrlA-1augA:
23.05
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.
1bhq CD11B

(Homo sapiens)
PF00092
(VWA)
5 ASN 1 310
THR 1 159
VAL 1 160
GLN 1 163
LEU 1 164
None
1.37A 2xrlA-1bhq1:
undetectable
2xrlA-1bhq1:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cq3 VIRAL CHEMOKINE
INHIBITOR


(Cowpox virus)
PF02250
(Orthopox_35kD)
5 SER A 133
ASN A  34
THR A  71
ILE A  37
SER A 139
None
1.33A 2xrlA-1cq3A:
undetectable
2xrlA-1cq3A:
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE


(Homo sapiens)
PF00884
(Sulfatase)
5 SER A 428
ASN A 426
THR A 471
LEU A 440
SER A 423
NAG  A 602 ( 4.7A)
NAG  A 602 (-2.0A)
None
None
None
1.35A 2xrlA-1fsuA:
undetectable
2xrlA-1fsuA:
18.09
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
5 ASN A 393
THR A 207
GLN A 397
LEU A 400
ILE A 387
None
HG  A6005 ( 4.7A)
HG  A6005 (-2.2A)
None
None
1.06A 2xrlA-1g8kA:
0.0
2xrlA-1g8kA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE


(Paenarthrobacter
aurescens)
PF01979
(Amidohydro_1)
5 PHE A 405
PRO A 343
THR A 398
VAL A 419
SER A 412
None
1.37A 2xrlA-1gkrA:
0.0
2xrlA-1gkrA:
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.
1jcu CONSERVED PROTEIN
MTH1692


(Methanothermobacter
thermautotrophicus)
PF01300
(Sua5_yciO_yrdC)
5 SER A  65
THR A  97
VAL A  98
ILE A  74
SER A  78
None
1.32A 2xrlA-1jcuA:
undetectable
2xrlA-1jcuA:
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini)
PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s)
5 ASN A2534
PRO A2739
THR A2750
GLN A2577
LEU A2574
None
1.40A 2xrlA-1js8A:
undetectable
2xrlA-1js8A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pn9 GLUTATHIONE
S-TRANSFERASE 1-6


(Anopheles
gambiae)
PF00043
(GST_C)
PF02798
(GST_N)
5 SER A 158
PRO A  53
VAL A  15
GLN A  69
LEU A  72
None
GTX  A 301 (-4.4A)
None
None
None
1.38A 2xrlA-1pn9A:
0.2
2xrlA-1pn9A:
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.
1pxz MAJOR POLLEN
ALLERGEN JUN A 1


(Juniperus ashei)
PF00544
(Pec_lyase_C)
5 SER A 188
ASN A 190
THR A 186
LEU A 201
ILE A 176
None
1.29A 2xrlA-1pxzA:
undetectable
2xrlA-1pxzA:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)


(Escherichia
coli)
PF00440
(TetR_N)
PF02909
(TetR_C)
7 HIS A  64
ASN A  82
PHE A  86
HIS A 100
THR A 112
GLN A 116
SER A 138
None
None
None
IMD  A   1 (-4.0A)
None
None
None
0.70A 2xrlA-1qpiA:
25.3
2xrlA-1qpiA:
99.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)


(Escherichia
coli)
PF00440
(TetR_N)
PF02909
(TetR_C)
8 HIS A  64
ASN A  82
PHE A  86
THR A 112
VAL A 113
GLN A 116
LEU A 117
ILE A 134
None
0.63A 2xrlA-1qpiA:
25.3
2xrlA-1qpiA:
99.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)


(Escherichia
coli)
PF00440
(TetR_N)
PF02909
(TetR_C)
8 HIS A  64
ASN A  82
PHE A  86
THR A 112
VAL A 113
GLN A 116
LEU A 117
SER A 138
None
0.66A 2xrlA-1qpiA:
25.3
2xrlA-1qpiA:
99.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)


(Escherichia
coli)
PF00440
(TetR_N)
PF02909
(TetR_C)
8 HIS A  64
SER A  67
ASN A  82
THR A 112
VAL A 113
GLN A 116
LEU A 117
ILE A 134
None
0.65A 2xrlA-1qpiA:
25.3
2xrlA-1qpiA:
99.51
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.
1s1f PUTATIVE CYTOCHROME
P450


(Streptomyces
coelicolor)
PF00067
(p450)
5 ASN A 248
HIS A 172
PRO A 151
THR A 145
LEU A 366
None
1.49A 2xrlA-1s1fA:
undetectable
2xrlA-1s1fA:
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.
1vdh MUCONOLACTONE
ISOMERASE-LIKE
PROTEIN


(Thermus
thermophilus)
PF06778
(Chlor_dismutase)
5 SER A 110
PRO A 134
VAL A 112
LEU A 114
ILE A 187
None
1.36A 2xrlA-1vdhA:
undetectable
2xrlA-1vdhA:
23.86
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.
1wkr POLYPOROPEPSIN

(Irpex lacteus)
PF00026
(Asp)
5 SER A 154
THR A   8
VAL A  15
GLN A  10
LEU A  30
None
1.45A 2xrlA-1wkrA:
undetectable
2xrlA-1wkrA:
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.
1x7p RRNA
METHYLTRANSFERASE


(Streptomyces
viridochromogenes)
PF00588
(SpoU_methylase)
5 PRO A 134
VAL A 157
LEU A 155
ILE A 144
SER A 169
None
1.15A 2xrlA-1x7pA:
0.4
2xrlA-1x7pA:
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.
2c2g THREONINE SYNTHASE

(Arabidopsis
thaliana)
PF00291
(PALP)
5 HIS A 153
SER A 431
PHE A 134
THR A 405
LEU A 412
None
1.27A 2xrlA-2c2gA:
undetectable
2xrlA-2c2gA:
20.52
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.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum)
PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929)
5 SER A 633
PRO A 629
LEU A 501
ILE A 574
SER A 572
None
1.04A 2xrlA-2eidA:
undetectable
2xrlA-2eidA:
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.
2f2l PEPTIDOGLYCAN
RECOGNITION
PROTEIN-LC ISOFORM
LCX


(Drosophila
melanogaster)
PF01510
(Amidase_2)
5 HIS X 365
SER X 481
PHE X 438
LEU X 470
ILE X 490
MLD  X 201 (-3.9A)
MLD  X 201 (-3.4A)
None
None
None
1.19A 2xrlA-2f2lX:
undetectable
2xrlA-2f2lX:
20.67
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.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE


(Bacillus
subtilis)
PF02390
(Methyltransf_4)
5 PHE A  35
PRO A  24
VAL A 103
LEU A 100
ILE A  43
None
1.29A 2xrlA-2fcaA:
undetectable
2xrlA-2fcaA:
23.05
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.
2fu0 CYCLOPHILIN,
PUTATIVE


(Plasmodium
falciparum)
PF00160
(Pro_isomerase)
5 SER A  20
PHE A 123
THR A 127
VAL A 126
ILE A  10
None
1.46A 2xrlA-2fu0A:
undetectable
2xrlA-2fu0A:
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.
2hsi PUTATIVE PEPTIDASE
M23


(Pseudomonas
aeruginosa)
PF01551
(Peptidase_M23)
5 HIS A 218
SER A 224
VAL A 214
LEU A 229
ILE A 193
None
1.49A 2xrlA-2hsiA:
undetectable
2xrlA-2hsiA:
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.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis)
PF01979
(Amidohydro_1)
5 HIS A 211
THR A 160
VAL A 161
GLN A 125
ILE A 122
ZN  A 401 (-3.4A)
ADE  A1114 ( 4.3A)
None
ADE  A1114 (-3.3A)
None
1.11A 2xrlA-2icsA:
undetectable
2xrlA-2icsA:
20.39
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.
2jgz G2/MITOTIC-SPECIFIC
CYCLIN-B1


(Homo sapiens)
PF00134
(Cyclin_N)
PF02984
(Cyclin_C)
5 SER B 413
VAL B 387
GLN B 417
LEU B 422
ILE B 355
None
1.24A 2xrlA-2jgzB:
1.6
2xrlA-2jgzB:
22.81
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.
2l01 UNCHARACTERIZED
PROTEIN


(Bacteroides
vulgatus)
PF10771
(DUF2582)
5 PHE A  43
THR A  57
VAL A  66
LEU A  19
ILE A  15
None
1.23A 2xrlA-2l01A:
undetectable
2xrlA-2l01A:
14.76
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.
2l26 UNCHARACTERIZED
PROTEIN
RV0899/MT0922


(Mycobacterium
tuberculosis)
PF00691
(OmpA)
PF04972
(BON)
5 SER A  87
THR A  90
VAL A  91
LEU A  93
ILE A  84
None
1.45A 2xrlA-2l26A:
undetectable
2xrlA-2l26A:
21.13
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.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE


(Sulfolobus
acidocaldarius)
PF00701
(DHDPS)
5 PRO A  10
THR A  24
LEU A  61
ILE A  37
SER A   5
None
1.34A 2xrlA-2nuxA:
undetectable
2xrlA-2nuxA:
22.90
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum)
PF01979
(Amidohydro_1)
5 PHE A 132
PRO A 329
THR A 102
VAL A  74
LEU A 304
None
1.02A 2xrlA-2ogjA:
undetectable
2xrlA-2ogjA:
20.79
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.
2ohf GTP-BINDING PROTEIN
9


(Homo sapiens)
PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C)
5 SER A  62
PHE A  87
THR A  43
LEU A 292
ILE A 296
None
1.25A 2xrlA-2ohfA:
undetectable
2xrlA-2ohfA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2okj GLUTAMATE
DECARBOXYLASE 1


(Homo sapiens)
PF00282
(Pyridoxal_deC)
5 ASN A 256
PRO A 403
LEU A 417
ILE A 416
SER A 249
LLP  A 405 ( 4.6A)
None
None
None
None
1.31A 2xrlA-2okjA:
undetectable
2xrlA-2okjA:
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.
2ov9 HYPOTHETICAL PROTEIN

(Rhodococcus
jostii)
PF03061
(4HBT)
5 PRO A 100
THR A 117
VAL A 116
LEU A 174
ILE A 192
None
1.46A 2xrlA-2ov9A:
undetectable
2xrlA-2ov9A:
21.94
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.
2oz4 INTERCELLULAR
ADHESION MOLECULE 1


(Homo sapiens)
no annotation 5 PRO A 197
THR A 277
VAL A 278
LEU A 227
ILE A 280
None
1.34A 2xrlA-2oz4A:
undetectable
2xrlA-2oz4A:
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.
2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE


(Aneurinibacillus
thermoaerophilus)
PF16363
(GDP_Man_Dehyd)
5 ASN A 169
PHE A 168
THR A 242
VAL A 208
SER A 115
GDD  A 410 (-3.1A)
None
None
None
GDD  A 410 (-2.4A)
1.48A 2xrlA-2pk3A:
undetectable
2xrlA-2pk3A:
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris)
PF00544
(Pec_lyase_C)
5 SER A 190
ASN A 192
THR A 188
LEU A 141
ILE A 139
None
0.84A 2xrlA-2qy1A:
undetectable
2xrlA-2qy1A:
19.82
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.
2r6f EXCINUCLEASE ABC
SUBUNIT A


(Geobacillus
stearothermophilus)
PF00005
(ABC_tran)
5 PHE A 632
HIS A 872
THR A 916
LEU A 932
ILE A 891
None
1.41A 2xrlA-2r6fA:
undetectable
2xrlA-2r6fA:
13.45
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.
2yyb HYPOTHETICAL PROTEIN
TTHA1606


(Thermus
thermophilus)
PF01784
(NIF3)
5 HIS A 210
HIS A  64
THR A 187
VAL A 169
LEU A 176
None
1.49A 2xrlA-2yybA:
undetectable
2xrlA-2yybA:
21.22
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.
2zie PUTATIVE
MODIFICATION
METHYLASE


(Thermus
thermophilus)
PF01555
(N6_N4_Mtase)
5 PHE A 220
PRO A 242
VAL A  44
LEU A  93
ILE A  95
None
1.42A 2xrlA-2zieA:
undetectable
2xrlA-2zieA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3beo UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE


(Bacillus
anthracis)
PF02350
(Epimerase_2)
5 ASN A 213
THR A 284
VAL A 302
LEU A 320
SER A 132
None
1.45A 2xrlA-3beoA:
undetectable
2xrlA-3beoA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bit FACT COMPLEX SUBUNIT
SPT16


(Saccharomyces
cerevisiae)
PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob)
5 PHE A 267
THR A 302
LEU A 198
ILE A 261
SER A 263
None
1.38A 2xrlA-3bitA:
undetectable
2xrlA-3bitA:
18.85
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.
3d8m BASEPLATE PROTEIN,
RECEPTOR BINDING
PROTEIN


(Lactococcus
phage TP901-1;
Lactococcus
virus P2)
PF08931
(Caudo_bapla_RBP)
5 ASN A 159
PHE A  91
THR A  80
VAL A  87
LEU A  86
None
1.49A 2xrlA-3d8mA:
undetectable
2xrlA-3d8mA:
19.82
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.
3edn PHENAZINE
BIOSYNTHESIS
PROTEIN, PHZF FAMILY


(Bacillus
anthracis)
PF02567
(PhzC-PhzF)
5 PHE A 185
PRO A 199
VAL A 167
LEU A 149
SER A 141
None
1.50A 2xrlA-3ednA:
undetectable
2xrlA-3ednA:
21.38
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.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE


(Mycobacterium
tuberculosis)
PF00268
(Ribonuc_red_sm)
5 SER A 278
ASN A 279
HIS A 164
VAL A 217
ILE A 288
None
1.44A 2xrlA-3ee4A:
undetectable
2xrlA-3ee4A:
23.81
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.
3f6t ASPARTATE
AMINOTRANSFERASE


(Lactobacillus
acidophilus)
PF00155
(Aminotran_1_2)
5 SER A 309
PHE A 314
LEU A 166
ILE A 146
SER A 394
LLP  A 312 ( 2.5A)
None
None
None
None
1.32A 2xrlA-3f6tA:
2.0
2xrlA-3f6tA:
19.07
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.
3fkd L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE


(Porphyromonas
gingivalis)
PF00155
(Aminotran_1_2)
5 ASN A 140
PHE A  99
PRO A 202
THR A  22
VAL A  24
None
1.41A 2xrlA-3fkdA:
undetectable
2xrlA-3fkdA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7j GLUTATHIONE
TRANSFERASE GST1-4


(Anopheles dirus)
PF02798
(GST_N)
PF13410
(GST_C_2)
5 SER A 167
PRO A  53
VAL A  15
GLN A  70
LEU A  73
None
GTX  A 220 (-4.3A)
None
None
None
1.39A 2xrlA-3g7jA:
undetectable
2xrlA-3g7jA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE


(Escherichia
coli)
PF00464
(SHMT)
5 HIS A 129
ASN A 102
PRO A 216
VAL A 223
LEU A 240
None
1.44A 2xrlA-3g8mA:
undetectable
2xrlA-3g8mA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i7a PUTATIVE
METAL-DEPENDENT
PHOSPHOHYDROLASE


(Shewanella
amazonensis)
PF08668
(HDOD)
5 SER A 198
PHE A 201
PRO A  26
LEU A 161
ILE A 158
None
1.35A 2xrlA-3i7aA:
1.5
2xrlA-3i7aA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipw HYDROLASE TATD
FAMILY PROTEIN


(Entamoeba
histolytica)
PF01026
(TatD_DNase)
5 SER A  50
THR A  76
VAL A 108
LEU A 146
ILE A 111
None
1.39A 2xrlA-3ipwA:
undetectable
2xrlA-3ipwA:
19.48
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.
3k8v FLAGELLIN HOMOLOG

(Sphingomonas
sp. A1)
PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF07196
(Flagellin_IN)
5 SER A 237
ASN A 226
THR A 286
VAL A 287
LEU A 112
None
1.35A 2xrlA-3k8vA:
undetectable
2xrlA-3k8vA:
24.09
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.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2


(Homo sapiens)
PF01401
(Peptidase_M2)
5 ASN A  33
THR A  92
VAL A  93
GLN A  96
LEU A  97
None
0.94A 2xrlA-3kbhA:
undetectable
2xrlA-3kbhA:
15.82
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.
3ocq PUTATIVE
CYTOSINE/ADENOSINE
DEAMINASE


(Salmonella
enterica)
PF14437
(MafB19-deam)
5 HIS A 133
PRO A  97
VAL A 113
LEU A  91
ILE A 110
None
1.47A 2xrlA-3ocqA:
undetectable
2xrlA-3ocqA:
23.61
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1


(Bos taurus)
PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase)
5 PRO A 312
VAL A  62
LEU A  65
ILE A 307
SER A 261
None
1.46A 2xrlA-3tlmA:
undetectable
2xrlA-3tlmA:
12.23
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.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT


(Geobacillus sp.
Y412MC52)
PF00005
(ABC_tran)
5 PHE A 632
HIS A 872
THR A 916
LEU A 932
ILE A 891
None
1.38A 2xrlA-3ux8A:
undetectable
2xrlA-3ux8A:
16.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0


(Escherichia
coli)
PF00440
(TetR_N)
PF02909
(TetR_C)
8 HIS A  64
ASN A  82
PHE A  86
HIS A 100
PRO A 105
THR A 112
GLN A 116
LEU A 117
MIY  A1204 (-3.8A)
MIY  A1204 (-3.0A)
MIY  A1204 (-3.5A)
MG  A1205 ( 3.2A)
MIY  A1204 (-4.4A)
MIY  A1204 ( 4.7A)
MIY  A1204 (-2.8A)
None
0.54A 2xrlA-4ac0A:
25.8
2xrlA-4ac0A:
64.85
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.
4b3g DNA-BINDING PROTEIN
SMUBP-2


(Homo sapiens)
PF13086
(AAA_11)
PF13087
(AAA_12)
5 SER A 582
ASN A 511
THR A 616
VAL A 617
LEU A 591
None
1.45A 2xrlA-4b3gA:
2.6
2xrlA-4b3gA:
17.34
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.
4b5x 4-HYDROXY-2-OXO-HEPT
ANE-1,7-DIOATE
ALDOLASE


(Escherichia
coli)
PF03328
(HpcH_HpaI)
5 SER A  23
THR A  52
VAL A  53
GLN A  56
LEU A  57
PO4  A1253 (-4.3A)
None
None
None
None
0.48A 2xrlA-4b5xA:
undetectable
2xrlA-4b5xA:
22.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR


(Proteus
mirabilis)
PF00440
(TetR_N)
PF02909
(TetR_C)
7 HIS A  64
ASN A  82
PHE A  86
HIS A 100
PRO A 105
GLN A 116
LEU A 117
None
0.78A 2xrlA-4d5cA:
25.8
2xrlA-4d5cA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR


(Proteus
mirabilis)
PF00440
(TetR_N)
PF02909
(TetR_C)
7 HIS A  64
ASN A  82
PHE A  86
PRO A 105
THR A 112
GLN A 116
LEU A 117
None
0.73A 2xrlA-4d5cA:
25.8
2xrlA-4d5cA:
59.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4da1 PROTEIN PHOSPHATASE
1K, MITOCHONDRIAL


(Homo sapiens)
PF00481
(PP2C)
5 SER A 209
ASN A 301
THR A 191
LEU A 222
ILE A 212
None
1.28A 2xrlA-4da1A:
undetectable
2xrlA-4da1A:
20.42
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.
4exl PHOSPHATE-BINDING
PROTEIN PSTS 1


(Streptococcus
pneumoniae)
PF12849
(PBP_like_2)
5 THR A 259
VAL A 254
GLN A 260
LEU A 255
ILE A 272
None
1.50A 2xrlA-4exlA:
undetectable
2xrlA-4exlA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fkz UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE


(Bacillus
subtilis)
PF02350
(Epimerase_2)
5 ASN A 211
THR A 282
VAL A 300
LEU A 318
SER A 130
None
1.46A 2xrlA-4fkzA:
undetectable
2xrlA-4fkzA:
22.16
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.
4fmz INTERNALIN

(Listeria
monocytogenes)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8)
5 SER A 216
PHE A 237
THR A 196
LEU A 181
ILE A 206
EDO  A 401 (-4.5A)
None
None
None
None
1.27A 2xrlA-4fmzA:
undetectable
2xrlA-4fmzA:
21.90
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.
4ipe TNF
RECEPTOR-ASSOCIATED
PROTEIN 1


(Danio rerio)
PF00183
(HSP90)
PF13589
(HATPase_c_3)
5 PHE A 636
THR A 610
VAL A 609
LEU A 657
ILE A 625
None
1.12A 2xrlA-4ipeA:
undetectable
2xrlA-4ipeA:
15.28
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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE


(Streptomyces
platensis)
PF01263
(Aldose_epim)
5 HIS A 110
ASN A  84
THR A 177
GLN A 307
LEU A 276
GOL  A 401 (-4.2A)
GOL  A 401 (-3.7A)
None
None
None
1.48A 2xrlA-4rnlA:
undetectable
2xrlA-4rnlA:
22.25
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.
4ubs PENTALENIC ACID
SYNTHASE


(Streptomyces
avermitilis)
PF00067
(p450)
5 SER A  38
THR A  52
VAL A  51
LEU A  60
ILE A 306
None
1.44A 2xrlA-4ubsA:
undetectable
2xrlA-4ubsA:
21.94
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.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron)
no annotation 5 HIS A 243
PRO A 235
THR A 251
VAL A 252
LEU A 256
None
1.28A 2xrlA-4xkmA:
1.2
2xrlA-4xkmA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ytw MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
35
PROTEIN UPS1,
MITOCHONDRIAL


(Saccharomyces
cerevisiae)
PF04707
(PRELI)
PF05254
(UPF0203)
5 SER B  41
ASN B  43
PRO A  74
THR B  53
VAL B  81
None
1.23A 2xrlA-4ytwB:
undetectable
2xrlA-4ytwB:
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.
4zg5 5'-NUCLEOTIDASE SURE

(Brucella
abortus)
no annotation 5 SER D 124
ASN D 166
THR D 106
VAL D 107
LEU D 162
None
1.21A 2xrlA-4zg5D:
undetectable
2xrlA-4zg5D:
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.
5fgw EXTRACELLULAR
STREPTODORNASE D


(Streptococcus
pyogenes)
PF01223
(Endonuclease_NS)
5 SER A  92
PHE A  68
THR A 113
LEU A 194
ILE A 190
None
1.45A 2xrlA-5fgwA:
undetectable
2xrlA-5fgwA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fwj HISTONE DEMETHYLASE
JARID1C


(Homo sapiens)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
5 SER A 472
HIS A 527
PRO A  55
LEU A 462
SER A 451
None
1.48A 2xrlA-5fwjA:
undetectable
2xrlA-5fwjA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g4i PHOSPHOLYASE

(Paenarthrobacter
aurescens)
PF00202
(Aminotran_3)
5 SER A 222
HIS A 148
LEU A 229
ILE A 176
SER A 143
None
1.31A 2xrlA-5g4iA:
undetectable
2xrlA-5g4iA:
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.
5k79 CYANOVIRIN-N DOMAIN
PROTEIN


(Cyanothece sp.
PCC 7424)
PF08881
(CVNH)
5 SER A  34
PHE A  21
THR A  17
LEU A  64
ILE A  11
None
1.30A 2xrlA-5k79A:
undetectable
2xrlA-5k79A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5loi RAD26

(Thermothelomyces
thermophila)
PF12331
(DUF3636)
5 PRO A 597
THR A 619
VAL A 616
ILE A 593
SER A 587
None
1.46A 2xrlA-5loiA:
undetectable
2xrlA-5loiA:
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.
5mm2 CAPSID PROTEIN VP4A

(Nora virus)
no annotation 5 HIS C  51
THR C 109
GLN C 112
LEU C 116
ILE C  81
None
1.44A 2xrlA-5mm2C:
undetectable
2xrlA-5mm2C:
17.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A


(Pseudomonas sp.)
no annotation 5 HIS A  64
SER A  67
ASN A  82
HIS A 100
ILE A 137
TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
MG  A 302 ( 3.2A)
TDC  A 301 ( 4.5A)
1.31A 2xrlA-5mruA:
23.2
2xrlA-5mruA:
43.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A


(Pseudomonas sp.)
no annotation 9 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
PRO A 105
THR A 112
GLN A 116
SER A 138
TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.5A)
None
TDC  A 301 (-2.8A)
TDC  A 301 ( 3.7A)
0.81A 2xrlA-5mruA:
23.2
2xrlA-5mruA:
43.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A


(Pseudomonas sp.)
no annotation 6 HIS A  64
SER A  67
ASN A  82
THR A 112
GLN A 116
LEU A 117
TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
None
TDC  A 301 (-2.8A)
None
0.61A 2xrlA-5mruA:
23.2
2xrlA-5mruA:
43.75
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.
5n29 CTP SYNTHASE

(Trypanosoma
brucei)
PF00117
(GATase)
5 PHE A 566
PRO A 390
VAL A 344
LEU A 345
ILE A 361
None
1.31A 2xrlA-5n29A:
undetectable
2xrlA-5n29A:
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1


(Homo sapiens)
PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9)
5 SER A1625
ASN A1699
LEU A1619
ILE A1641
SER A1554
None
1.41A 2xrlA-5nugA:
undetectable
2xrlA-5nugA:
3.91
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.
5tth C-TERMINAL
SPYCATCHER FUSION OF
WILDTYPE ZEBRAFISH
TNF
RECEPTOR-ASSOCIATED
PROTEIN 1


(Danio rerio;
Streptococcus
pyogenes)
PF00183
(HSP90)
PF13589
(HATPase_c_3)
5 PHE A 636
THR A 610
VAL A 609
LEU A 657
ILE A 625
None
1.12A 2xrlA-5tthA:
undetectable
2xrlA-5tthA:
13.93
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.
5u1d ANTIGEN PEPTIDE
TRANSPORTER 1
ANTIGEN PEPTIDE
TRANSPORTER 2


(Homo sapiens)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
5 SER B 254
THR B 258
LEU B 223
ILE A 397
SER A 359
None
1.50A 2xrlA-5u1dB:
3.0
2xrlA-5u1dB:
17.42
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT


(Komagataella
phaffii)
PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
5 HIS A 588
ASN A 968
PRO A 584
THR A 633
VAL A 634
None
1.26A 2xrlA-5xogA:
3.5
2xrlA-5xogA:
9.36
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT


(Komagataella
phaffii)
PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
5 THR A1330
VAL A1120
LEU A1122
ILE A1136
SER A1139
None
1.18A 2xrlA-5xogA:
3.5
2xrlA-5xogA:
9.36
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.
5yim SDEA

(Legionella
pneumophila)
no annotation 5 SER A 428
VAL A 401
GLN A 405
LEU A 402
ILE A 292
None
1.31A 2xrlA-5yimA:
3.8
2xrlA-5yimA:
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.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1


(Mus musculus)
no annotation 5 SER A1223
THR A1219
VAL A1218
LEU A1017
ILE A1002
None
1.31A 2xrlA-6b3rA:
1.8
2xrlA-6b3rA:
21.74
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.
6c0b TOXIN B

(Clostridioides
difficile)
no annotation 5 SER A1403
THR A1405
VAL A1348
LEU A1327
ILE A1389
None
1.49A 2xrlA-6c0bA:
undetectable
2xrlA-6c0bA:
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.
6d14 TNF
RECEPTOR-ASSOCIATED
PROTEIN 1


(Danio rerio)
no annotation 5 PHE A 636
THR A 610
VAL A 609
LEU A 657
ILE A 625
None
1.21A 2xrlA-6d14A:
undetectable
2xrlA-6d14A:
19.66
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5


(Mus musculus)
no annotation 5 SER L 249
PRO L 240
VAL L 243
LEU L 121
ILE L 100
None
1.07A 2xrlA-6g2jL:
undetectable
2xrlA-6g2jL:
14.80
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.
7mdh PROTEIN (MALATE
DEHYDROGENASE)


(Sorghum bicolor)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 ASN A 176
PHE A 324
PRO A 235
LEU A 385
SER A 355
None
None
None
ZN  A 503 (-4.0A)
None
0.84A 2xrlA-7mdhA:
undetectable
2xrlA-7mdhA:
20.00