SIMILAR PATTERNS OF AMINO ACIDS FOR 1TKQ_B_DVAB8

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.
1bd7 CIRCULARLY PERMUTED
BB2-CRYSTALLIN


(Rattus
norvegicus)
PF00030
(Crystall)
4 VAL A  43
GLY A  44
VAL A  56
TRP A  68
None
1.23A 1tkqB-1bd7A:
undetectable
1tkqB-1bd7A:
5.65
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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
4 VAL A 314
GLY A 315
VAL A 452
TRP A 318
None
0.92A 1tkqB-1coyA:
undetectable
1tkqB-1coyA:
3.03
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.
1e7n BETA-CRYSTALLIN B2

(Mus musculus)
PF00030
(Crystall)
4 VAL A  43
GLY A  44
VAL A  56
TRP A  68
None
1.26A 1tkqB-1e7nA:
undetectable
1tkqB-1e7nA:
6.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ej6 LAMBDA1

(Reovirus sp.)
no annotation 4 VAL B 603
GLY B 602
VAL B 604
TRP B 598
None
1.06A 1tkqB-1ej6B:
undetectable
1tkqB-1ej6B:
1.48
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.
1ifp MAJOR COAT PROTEIN
ASSEMBLY


(Pseudomonas
virus Pf3)
PF10389
(CoatB)
4 VAL A  32
GLY A  35
VAL A  33
TRP A  38
None
1.29A 1tkqB-1ifpA:
undetectable
1tkqB-1ifpA:
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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis)
PF00759
(Glyco_hydro_9)
4 VAL A 260
GLY A 259
VAL A 257
TRP A 253
None
1.17A 1tkqB-1ks8A:
undetectable
1tkqB-1ks8A:
5.00
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.
1pku NUCLEOSIDE
DIPHOSPHATE KINASE I


(Oryza sativa)
PF00334
(NDK)
4 VAL A 123
GLY A 126
VAL A  84
TRP A  78
None
1.25A 1tkqB-1pkuA:
undetectable
1tkqB-1pkuA:
7.94
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.
1u71 DIHYDROFOLATE
REDUCTASE


(Homo sapiens)
PF00186
(DHFR_1)
4 VAL A   1
GLY A   2
VAL A 109
TRP A 113
None
1.29A 1tkqB-1u71A:
undetectable
1tkqB-1u71A:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Ruminiclostridium
thermocellum)
PF00759
(Glyco_hydro_9)
PF02927
(CelD_N)
4 VAL A 391
GLY A 394
VAL A 392
TRP A 800
None
1.29A 1tkqB-1ut9A:
undetectable
1tkqB-1ut9A:
3.82
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.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Ruminiclostridium
thermocellum)
PF00759
(Glyco_hydro_9)
PF02927
(CelD_N)
4 VAL A 391
GLY A 395
VAL A 392
TRP A 800
None
1.31A 1tkqB-1ut9A:
undetectable
1tkqB-1ut9A:
3.82
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.
1v6c ALKALINE SERINE
PROTEASE


(Pseudoalteromonas
sp. AS-11)
PF00082
(Peptidase_S8)
PF02225
(PA)
4 VAL A 231
GLY A 230
VAL A 336
TRP A   6
None
1.37A 1tkqB-1v6cA:
undetectable
1tkqB-1v6cA:
3.22
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.
1vcl HEMOLYTIC LECTIN
CEL-III


(Cucumaria
echinata)
PF00652
(Ricin_B_lectin)
4 VAL A 266
GLY A 267
VAL A 257
TRP A 269
MG  A1102 (-4.4A)
None
None
None
1.34A 1tkqB-1vclA:
undetectable
1tkqB-1vclA:
2.93
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.
1vf8 SECRETORY PROTEIN

(Mus musculus)
PF00704
(Glyco_hydro_18)
4 VAL A 241
GLY A 242
VAL A 188
TRP A 339
None
1.23A 1tkqB-1vf8A:
undetectable
1tkqB-1vf8A:
3.94
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.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii)
PF00128
(Alpha-amylase)
4 VAL A 218
GLY A 220
VAL A 125
TRP A  80
None
1.33A 1tkqB-1wzaA:
undetectable
1tkqB-1wzaA:
3.88
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.
1xfc ALANINE RACEMASE

(Mycobacterium
tuberculosis)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
4 VAL A 143
GLY A 142
VAL A 134
TRP A  88
None
None
None
PLP  A 390 (-3.5A)
1.00A 1tkqB-1xfcA:
undetectable
1tkqB-1xfcA:
4.12
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.
1y17 ANTICOAGULANT
PROTEIN A


(Deinagkistrodon
acutus)
PF00059
(Lectin_C)
4 VAL A 105
GLY A 104
VAL A  66
TRP A  23
None
1.22A 1tkqB-1y17A:
undetectable
1tkqB-1y17A:
9.65
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.
1ytq BETA CRYSTALLIN B2

(Homo sapiens)
PF00030
(Crystall)
4 VAL A  59
GLY A  60
VAL A  72
TRP A  84
None
1.20A 1tkqB-1ytqA:
undetectable
1tkqB-1ytqA:
8.09
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.
1z01 2-OXO-1,2-DIHYDROQUI
NOLINE
8-MONOOXYGENASE,
OXYGENASE COMPONENT


(Pseudomonas
putida)
PF00355
(Rieske)
PF11723
(Aromatic_hydrox)
4 VAL A 301
GLY A 300
VAL A 297
TRP A 404
None
1.07A 1tkqB-1z01A:
undetectable
1tkqB-1z01A:
4.25
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.
2bb2 BETA B2-CRYSTALLIN

(Bos taurus)
PF00030
(Crystall)
4 VAL A  43
GLY A  44
VAL A  56
TRP A  68
None
1.13A 1tkqB-2bb2A:
undetectable
1tkqB-2bb2A:
8.09
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.
2btv PROTEIN (VP3 CORE
PROTEIN)


(Bluetongue
virus)
PF01700
(Orbi_VP3)
4 VAL A 375
GLY A 374
VAL A 376
TRP A 573
None
1.13A 1tkqB-2btvA:
undetectable
1tkqB-2btvA:
3.02
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.
2cqk C-MPL BINDING
PROTEIN


(Homo sapiens)
PF05383
(La)
4 VAL A 115
GLY A 119
VAL A 122
TRP A  85
None
1.28A 1tkqB-2cqkA:
undetectable
1tkqB-2cqkA:
10.00
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)


(Arabidopsis
thaliana)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc)
4 VAL A 173
GLY A 172
VAL A 174
TRP A 157
None
0.97A 1tkqB-2fgeA:
undetectable
1tkqB-2fgeA:
1.66
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.
2gdu SUCROSE
PHOSPHORYLASE


(Bifidobacterium
adolescentis)
PF00128
(Alpha-amylase)
PF09244
(DUF1964)
4 VAL A 374
GLY A 373
VAL A 283
TRP A 274
None
1.36A 1tkqB-2gduA:
undetectable
1tkqB-2gduA:
11.43
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.
2kl5 UNCHARACTERIZED
PROTEIN YUTD


(Bacillus
subtilis)
PF06265
(DUF1027)
4 VAL A  50
GLY A  51
VAL A  96
TRP A  53
None
1.21A 1tkqB-2kl5A:
undetectable
1tkqB-2kl5A:
8.65
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.
2mhl OUTER MEMBRANE
PROTEIN W


(Escherichia
coli)
PF03922
(OmpW)
4 VAL A 101
GLY A 102
VAL A 139
TRP A 156
None
1.35A 1tkqB-2mhlA:
undetectable
1tkqB-2mhlA:
14.63
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.
2obp PUTATIVE DNA-BINDING
PROTEIN


(Cupriavidus
pinatubonensis)
no annotation 4 VAL A  69
GLY A  75
VAL A  67
TRP A  36
None
NO3  A  96 (-3.6A)
None
None
1.34A 1tkqB-2obpA:
undetectable
1tkqB-2obpA:
12.16
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG


(Mycobacterium
tuberculosis)
PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred)
4 VAL A 620
GLY A 621
VAL A 623
TRP A 596
None
1.14A 1tkqB-2pziA:
undetectable
1tkqB-2pziA:
2.23
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.
2wse LHCA3

(Glycine max)
PF00504
(Chloroa_b-bind)
4 VAL 3 206
GLY 3 205
VAL 3 203
TRP 3  92
None
1.30A 1tkqB-2wse3:
undetectable
1tkqB-2wse3:
6.58
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.
2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E


(Escherichia
coli)
PF01370
(Epimerase)
4 VAL A 214
GLY A 215
VAL A 217
TRP A 223
None
1.27A 1tkqB-2x86A:
undetectable
1tkqB-2x86A:
3.77
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.
2xvx CHELATASE, PUTATIVE

(Desulfovibrio
vulgaris)
PF06180
(CbiK)
4 VAL A 117
GLY A 118
VAL A  84
TRP A 257
SO4  A1272 (-4.4A)
None
None
None
1.12A 1tkqB-2xvxA:
undetectable
1tkqB-2xvxA:
8.50
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.
2yvx MG2+ TRANSPORTER
MGTE


(Thermus
thermophilus)
PF00571
(CBS)
PF01769
(MgtE)
PF03448
(MgtE_N)
4 VAL A 375
GLY A 376
VAL A 378
TRP A 380
None
0.78A 1tkqB-2yvxA:
undetectable
1tkqB-2yvxA:
3.47
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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE


(Thermus
thermophilus)
PF03747
(ADP_ribosyl_GH)
4 VAL A 206
GLY A 208
VAL A 205
TRP A 230
None
1.10A 1tkqB-2yzwA:
undetectable
1tkqB-2yzwA:
4.68
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus)
PF00149
(Metallophos)
PF02872
(5_nucleotid_C)
4 VAL A 235
GLY A 236
VAL A 272
TRP A 275
None
0.67A 1tkqB-2z1aA:
undetectable
1tkqB-2z1aA:
3.76
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.
3bwk CYSTEINE PROTEASE
FALCIPAIN-3


(Plasmodium
falciparum)
PF00112
(Peptidase_C1)
4 VAL A  57
GLY A  58
VAL A  60
TRP A  33
None
1.13A 1tkqB-3bwkA:
undetectable
1tkqB-3bwkA:
5.15
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.
3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE


(Aquifex
aeolicus)
PF02401
(LYTB)
4 VAL A 176
GLY A 177
VAL A 175
TRP A 182
None
0.93A 1tkqB-3dnfA:
undetectable
1tkqB-3dnfA:
8.27
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.
3hym CELL DIVISION CYCLE
PROTEIN 16 HOMOLOG


(Homo sapiens)
PF13424
(TPR_12)
4 VAL B 408
GLY B 409
VAL B 411
TRP B 418
None
0.99A 1tkqB-3hymB:
undetectable
1tkqB-3hymB:
6.43
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.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE


(Escherichia
coli)
PF03710
(GlnE)
PF08335
(GlnD_UR_UTase)
4 VAL A 686
GLY A 687
VAL A 792
TRP A 694
None
1.13A 1tkqB-3k7dA:
undetectable
1tkqB-3k7dA:
3.16
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.
3l7o RIBOSE-5-PHOSPHATE
ISOMERASE A


(Streptococcus
mutans)
PF06026
(Rib_5-P_isom_A)
4 VAL A  22
GLY A  23
VAL A  79
TRP A 116
None
1.25A 1tkqB-3l7oA:
undetectable
1tkqB-3l7oA:
6.47
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.
3lxq UNCHARACTERIZED
PROTEIN VP1736


(Vibrio
parahaemolyticus)
PF00884
(Sulfatase)
4 VAL A 412
GLY A 413
VAL A 417
TRP A 415
None
1.24A 1tkqB-3lxqA:
undetectable
1tkqB-3lxqA:
3.50
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.
3mwt NUCLEOPROTEIN

(Lassa
mammarenavirus)
PF00843
(Arena_nucleocap)
PF17290
(Arena_ncap_C)
4 VAL A 124
GLY A 123
VAL A 161
TRP A 164
None
1.25A 1tkqB-3mwtA:
undetectable
1tkqB-3mwtA:
2.93
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.
3n11 CHITINASE A

(Bacillus cereus)
PF00704
(Glyco_hydro_18)
4 VAL A  37
GLY A  38
VAL A  61
TRP A  40
None
1.30A 1tkqB-3n11A:
undetectable
1tkqB-3n11A:
3.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4o INTERLEUKIN-1
RECEPTOR TYPE 2


(Homo sapiens)
PF00047
(ig)
4 VAL C  65
GLY C  67
TRP C  74
TRP C  81
None
1.31A 1tkqB-3o4oC:
undetectable
1tkqB-3o4oC:
4.56
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
4 VAL A 352
GLY A 351
VAL A 385
TRP A 406
None
1.16A 1tkqB-3ob8A:
undetectable
1tkqB-3ob8A:
1.59
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.
3pg7 NEUROFIBROMIN

(Homo sapiens)
PF13716
(CRAL_TRIO_2)
4 VAL A1736
GLY A1737
VAL A1741
TRP A1809
None
0.74A 1tkqB-3pg7A:
undetectable
1tkqB-3pg7A:
7.50
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.
3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT


(Bacillus cereus)
PF02378
(PTS_EIIC)
4 VAL A 258
GLY A 257
VAL A 255
TRP A 382
None
None
None
CBS  A 500 (-3.3A)
1.37A 1tkqB-3qnqA:
undetectable
1tkqB-3qnqA:
5.28
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.
3qvn MANGANESE-CONTAINING
SUPEROXIDE DISMUTASE


(Candida
albicans)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
4 VAL A  90
GLY A  94
VAL A 194
TRP A 197
None
1.24A 1tkqB-3qvnA:
undetectable
1tkqB-3qvnA:
6.25
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.
3rfr PMOA

(Methylocystis
sp. M)
no annotation 4 VAL J 152
GLY J 153
VAL J 151
TRP J 157
None
1.28A 1tkqB-3rfrJ:
undetectable
1tkqB-3rfrJ:
6.17
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M


(Escherichia
coli)
no annotation 4 VAL M 130
GLY M 129
VAL M 127
TRP M 122
None
1.31A 1tkqB-3rkoM:
undetectable
1tkqB-3rkoM:
2.95
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.
3rx8 CELLULASE

(Alicyclobacillus
acidocaldarius)
PF00759
(Glyco_hydro_9)
PF02927
(CelD_N)
4 VAL A 479
GLY A 480
VAL A 516
TRP A 401
None
None
None
9MR  A 601 (-3.9A)
1.33A 1tkqB-3rx8A:
undetectable
1tkqB-3rx8A:
4.70
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.
3v98 ARACHIDONATE
5-LIPOXYGENASE


(Homo sapiens)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
4 VAL A 581
GLY A 580
VAL A 582
TRP A 347
None
1.30A 1tkqB-3v98A:
undetectable
1tkqB-3v98A:
4.31
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.
3wsy SORTILIN-RELATED
RECEPTOR


(Homo sapiens)
PF15901
(Sortilin_C)
PF15902
(Sortilin-Vps10)
4 VAL A  92
GLY A  94
VAL A 615
TRP A 109
None
1.19A 1tkqB-3wsyA:
undetectable
1tkqB-3wsyA:
2.58
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11)
PF00128
(Alpha-amylase)
PF11941
(DUF3459)
4 VAL A 196
GLY A 198
VAL A  97
TRP A  51
None
1.19A 1tkqB-3wy2A:
undetectable
1tkqB-3wy2A:
4.10
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.
4a6u OMEGA TRANSAMINASE

(Chromobacterium
violaceum)
PF00202
(Aminotran_3)
4 VAL A 202
GLY A 201
VAL A 203
TRP A 188
None
1.10A 1tkqB-4a6uA:
undetectable
1tkqB-4a6uA:
2.78
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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii)
PF00759
(Glyco_hydro_9)
4 VAL A 423
GLY A 424
VAL A 444
TRP A 334
None
None
None
CT3  A 504 (-3.9A)
1.26A 1tkqB-4doeA:
undetectable
1tkqB-4doeA:
3.68
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.
4ftw PHOSPHOLIPASE/CARBOX
YLESTERASE


(Rhodobacter
sphaeroides)
PF02230
(Abhydrolase_2)
4 VAL A 186
GLY A 187
VAL A 162
TRP A 116
None
1.29A 1tkqB-4ftwA:
undetectable
1tkqB-4ftwA:
9.09
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.
4gf4 PORIN B

(Pseudomonas
putida)
PF04966
(OprB)
4 VAL A 192
GLY A 193
VAL A 180
TRP A 120
C8E  A 503 (-4.2A)
C8E  A 503 ( 4.6A)
C8E  A 503 ( 4.9A)
None
1.34A 1tkqB-4gf4A:
undetectable
1tkqB-4gf4A:
2.98
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.
4k2h INTRACELLULAR
PROTEASE/AMIDASE


(Salmonella
enterica)
PF01965
(DJ-1_PfpI)
4 VAL A 141
GLY A 150
VAL A 142
TRP A 128
None
1.30A 1tkqB-4k2hA:
undetectable
1tkqB-4k2hA:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C)
4 VAL A 313
GLY A 318
VAL A 320
TRP A 152
None
1.17A 1tkqB-4lixA:
undetectable
1tkqB-4lixA:
6.95
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.
4m8k HYPOTHETICAL
PROTEIN, GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN


(Bacteroides
uniformis)
PF16255
(Lipase_GDSL_lke)
4 GLY A 213
VAL A 211
TRP A  67
TRP A  68
None
1.32A 1tkqB-4m8kA:
undetectable
1tkqB-4m8kA:
9.40
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.
4mzq BETA-ALANYL-COA:AMMO
NIA LYASE


(Anaerotignum
propionicum)
no annotation 4 VAL A   6
GLY A  73
VAL A   7
TRP A  33
None
1.16A 1tkqB-4mzqA:
undetectable
1tkqB-4mzqA:
13.70
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.
4n0n REPLICASE
POLYPROTEIN 1AB


(Equine
arteritis virus)
PF01443
(Viral_helicase1)
4 VAL A 141
GLY A 140
VAL A 142
TRP A  20
None
1.36A 1tkqB-4n0nA:
undetectable
1tkqB-4n0nA:
4.27
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL


(Homo sapiens)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc)
4 VAL D 201
GLY D 200
VAL D 202
TRP D 182
None
1.04A 1tkqB-4ngeD:
undetectable
1tkqB-4ngeD:
3.58
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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE


(Streptomyces
platensis)
PF01263
(Aldose_epim)
4 VAL A 119
GLY A  39
VAL A 120
TRP A  22
None
1.16A 1tkqB-4rnlA:
undetectable
1tkqB-4rnlA:
5.52
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA


(Escherichia
coli)
PF03611
(EIIC-GAT)
4 VAL A 369
GLY A 368
VAL A 326
TRP A 328
None
1.22A 1tkqB-4rp8A:
undetectable
1tkqB-4rp8A:
4.38
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.
4uw2 CSM1

(Thermococcus
onnurineus)
PF01966
(HD)
4 VAL A 593
GLY A 594
VAL A 517
TRP A 596
None
0.87A 1tkqB-4uw2A:
undetectable
1tkqB-4uw2A:
2.18
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.
4uy4 SPINDLIN-4

(Homo sapiens)
PF02513
(Spin-Ssty)
4 VAL A  41
GLY A  42
VAL A  63
TRP A 147
None
1.28A 1tkqB-4uy4A:
undetectable
1tkqB-4uy4A:
9.01
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.
4xt1 G-PROTEIN COUPLED
RECEPTOR HOMOLOG
US28


(Cytomegalovirus)
PF00001
(7tm_1)
4 VAL A  42
GLY A  41
VAL A  43
TRP A  89
None
UNL  A 414 ( 4.4A)
None
None
1.17A 1tkqB-4xt1A:
undetectable
1tkqB-4xt1A:
4.71
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.
4yac C
ALPHA-DEHYDROGENASE


(Sphingobium sp.
SYK-6)
PF00106
(adh_short)
4 VAL A 119
GLY A 118
VAL A 116
TRP A 110
None
1.06A 1tkqB-4yacA:
undetectable
1tkqB-4yacA:
11.65
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.
5a1h SPINDLIN-3

(Homo sapiens)
PF02513
(Spin-Ssty)
4 VAL A  50
GLY A  51
VAL A  72
TRP A 161
None
1.17A 1tkqB-5a1hA:
undetectable
1tkqB-5a1hA:
3.24
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.
5ay7 XYLANASE

(Aegilops
speltoides)
PF00331
(Glyco_hydro_10)
4 VAL A 308
GLY A 307
TRP A 305
TRP A 297
None
1.36A 1tkqB-5ay7A:
undetectable
1tkqB-5ay7A:
3.82
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.
5dld UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE


(Burkholderia
vietnamiensis)
PF02350
(Epimerase_2)
4 VAL A 164
GLY A 165
VAL A 167
TRP A 145
None
1.37A 1tkqB-5dldA:
undetectable
1tkqB-5dldA:
2.79
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.
5e3x THERMOSTABLE
CARBOXYPEPTIDASE 1


(Fervidobacterium
islandicum)
PF02074
(Peptidase_M32)
4 VAL A 293
GLY A 294
VAL A 292
TRP A 323
None
1.33A 1tkqB-5e3xA:
undetectable
1tkqB-5e3xA:
4.75
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.
5fgn LIPOOLIGOSACCHARIDE
PHOSPHOETHANOLAMINE
TRANSFERASE A


(Neisseria
meningitidis)
PF00884
(Sulfatase)
PF08019
(DUF1705)
4 VAL A 132
GLY A 131
VAL A 128
TRP A 126
None
0.86A 1tkqB-5fgnA:
undetectable
1tkqB-5fgnA:
3.11
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.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum)
PF00759
(Glyco_hydro_9)
PF00942
(CBM_3)
4 VAL A 171
GLY A 172
VAL A 170
TRP A 229
None
1.14A 1tkqB-5gy0A:
undetectable
1tkqB-5gy0A:
3.87
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.
5h80 CARBOXYLASE

(Deinococcus
radiodurans)
PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
4 VAL A 372
GLY A 371
VAL A 397
TRP A 301
None
1.20A 1tkqB-5h80A:
undetectable
1tkqB-5h80A:
2.69
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.
5ig2 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR


(Paraburkholderia
phymatum)
PF00106
(adh_short)
4 VAL A 118
GLY A 117
VAL A 115
TRP A 109
None
0.98A 1tkqB-5ig2A:
undetectable
1tkqB-5ig2A:
4.00
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.
5k50 L-THREONINE
3-DEHYDROGENASE


(Trypanosoma
brucei)
no annotation 4 VAL A1146
GLY A1145
VAL A1143
TRP A1280
None
1.30A 1tkqB-5k50A:
undetectable
1tkqB-5k50A:
3.47
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.
5kwn E3 UBIQUITIN-PROTEIN
LIGASE COP1


(Arabidopsis
thaliana)
PF00400
(WD40)
4 VAL A 523
GLY A 524
VAL A 511
TRP A 467
None
0.93A 1tkqB-5kwnA:
undetectable
1tkqB-5kwnA:
5.96
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.
5lug SPINDLIN-LIKE
PROTEIN 2, ISOFORM
CRA_A


(Homo sapiens)
PF02513
(Spin-Ssty)
4 VAL A  50
GLY A  51
VAL A  72
TRP A 161
None
1.18A 1tkqB-5lugA:
undetectable
1tkqB-5lugA:
4.17
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila)
PF00128
(Alpha-amylase)
4 VAL B 207
GLY B 209
VAL B 115
TRP B  70
None
1.25A 1tkqB-5m99B:
undetectable
1tkqB-5m99B:
4.51
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.
5mew LACCASE 2

(Steccherinum
murashkinskyi)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
4 VAL A 229
GLY A 228
VAL A 226
TRP A 108
None
None
None
CU  A 502 (-4.2A)
1.01A 1tkqB-5mewA:
undetectable
1tkqB-5mewA:
5.17
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.
5mjr PROTEIN THF1

(Thermosynechococcus
elongatus)
PF11264
(ThylakoidFormat)
4 VAL A  56
GLY A  55
VAL A  57
TRP A  98
None
1.30A 1tkqB-5mjrA:
undetectable
1tkqB-5mjrA:
5.43
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002


(Bacteroides
thetaiotaomicron)
no annotation 4 VAL A 458
GLY A 459
VAL A 486
TRP A 463
None
1.36A 1tkqB-5mqpA:
undetectable
1tkqB-5mqpA:
2.39
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.
5ng7 EPOXIDE HYDROLASE

(metagenome)
no annotation 4 VAL A  98
GLY A  99
VAL A 122
TRP A 237
None
0.97A 1tkqB-5ng7A:
undetectable
1tkqB-5ng7A:
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.
5nv6 TRANSFORMING GROWTH
FACTOR-BETA-INDUCED
PROTEIN IG-H3


(Homo sapiens)
PF02469
(Fasciclin)
4 VAL A 112
GLY A 111
VAL A 113
TRP A 148
None
1.35A 1tkqB-5nv6A:
undetectable
1tkqB-5nv6A:
2.44
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.
5o0t PUTATIVE FERRIC
REDUCTASE


(Cylindrospermum
stagnale)
PF01794
(Ferric_reduct)
4 VAL A 302
GLY A 303
VAL A 305
TRP A 352
None
HEM  A 504 (-3.6A)
LFA  A 507 ( 4.5A)
None
1.30A 1tkqB-5o0tA:
undetectable
1tkqB-5o0tA:
14.61
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.
5tr1 CHLORIDE CHANNEL
PROTEIN


(Bos taurus)
PF00654
(Voltage_CLC)
4 VAL A  71
GLY A  72
VAL A  74
TRP A  80
None
1.34A 1tkqB-5tr1A:
undetectable
1tkqB-5tr1A:
3.88
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.
5u3p DH511.4 FAB HEAVY
CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 VAL H  23
GLY H  24
VAL H   5
TRP H 103
None
1.31A 1tkqB-5u3pH:
undetectable
1tkqB-5u3pH:
5.06
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.
5v2i GLYCOSYLASPARAGINASE

(Elizabethkingia
meningoseptica)
PF01112
(Asparaginase_2)
4 VAL A  39
GLY A  38
VAL A  35
TRP A  22
None
1.15A 1tkqB-5v2iA:
undetectable
1tkqB-5v2iA:
4.08
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.
5v3e TRANSCRIPTIONAL
REGULATOR


(Porphyromonas
gingivalis)
no annotation 4 VAL A  82
GLY A  83
VAL A  58
TRP A  11
None
1.00A 1tkqB-5v3eA:
undetectable
1tkqB-5v3eA:
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.
5wb1 ENVELOPE PROTEIN
US28, NANOBODY 7
FUSION PROTEIN


(Lama glama;
Human
betaherpesvirus
5)
no annotation 4 VAL A  42
GLY A  41
VAL A  43
TRP A  89
None
1.10A 1tkqB-5wb1A:
undetectable
1tkqB-5wb1A:
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.
5wna MAB 3D3 FAB HEAVY
CHAIN


(Homo sapiens)
no annotation 4 VAL H  23
GLY H  24
VAL H   5
TRP H 114
None
1.28A 1tkqB-5wnaH:
undetectable
1tkqB-5wnaH:
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.
5x41 COBALT TRANSPORT
PROTEIN CBIM


(Rhodobacter
capsulatus)
no annotation 4 VAL M  90
GLY M  89
VAL M  87
TRP M 121
None
1.35A 1tkqB-5x41M:
undetectable
1tkqB-5x41M:
10.71
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C


(Mycobacterium
tuberculosis)
PF01596
(Methyltransf_3)
4 VAL A 209
GLY A 208
VAL A 203
TRP A  14
None
1.01A 1tkqB-5x7fA:
undetectable
1tkqB-5x7fA:
26.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y31 DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 22


(Homo sapiens)
no annotation 4 VAL A 693
GLY A 692
VAL A 701
TRP A 706
None
1.07A 1tkqB-5y31A:
undetectable
1tkqB-5y31A:
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.
5y5w SPINDLIN-1

(Homo sapiens)
no annotation 4 VAL A  54
GLY A  55
VAL A  76
TRP A 165
None
1.24A 1tkqB-5y5wA:
undetectable
1tkqB-5y5wA:
8.93
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.
6ca6 PCT64_35S HEAVY
CHAIN


(Homo sapiens)
no annotation 4 VAL H  23
GLY H  24
VAL H   5
TRP H 103
None
1.26A 1tkqB-6ca6H:
undetectable
1tkqB-6ca6H:
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.
6dey -

(-)
no annotation 4 VAL A  39
GLY A  38
VAL A  35
TRP A  22
None
1.16A 1tkqB-6deyA:
undetectable
1tkqB-6deyA:
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.
6f0k ACTF

(Rhodothermus
marinus)
no annotation 4 VAL F  45
GLY F  44
VAL F 388
TRP F 382
None
1.03A 1tkqB-6f0kF:
undetectable
1tkqB-6f0kF:
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.
6f0k ACTF

(Rhodothermus
marinus)
no annotation 4 VAL F 390
GLY F 391
VAL F 389
TRP F 107
None
0.94A 1tkqB-6f0kF:
undetectable
1tkqB-6f0kF:
undetectable