SIMILAR PATTERNS OF AMINO ACIDS FOR 3TKD_B_CYZB267

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.
1b63 MUTL

(Escherichia
coli) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		4 ILE A  54
PRO A  23
LYS A  52
GLY A  50
 None
 1.05A 3tkdA-1b63A:
undetectable		 3tkdA-1b63A:
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.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		4 ILE A  26
PRO A  27
SER A  55
GLY A  25
 None
 1.04A 3tkdA-1crlA:
undetectable		 3tkdA-1crlA:
19.96
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.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		4 ILE A 402
PRO A 320
SER A 479
GLY A 403
 None
 1.04A 3tkdA-1h79A:
undetectable		 3tkdA-1h79A:
20.44
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.
1l0q SURFACE LAYER
PROTEIN

(Methanosarcina
mazei) 		PF00801
(PKD)
PF10282
(Lactonase) 		4 ILE A 295
PRO A 253
SER A   1
GLY A 296
 None
 0.95A 3tkdA-1l0qA:
undetectable		 3tkdA-1l0qA:
21.16
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.
1mzr 2,5-DIKETO-D-GLUCONA
TE REDUCTASE A

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		4 ILE A 230
SER A 233
LYS A 232
GLY A  22
 None
PO4  A 901 (-2.6A)
None
None
 0.95A 3tkdA-1mzrA:
undetectable		 3tkdA-1mzrA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		4 ILE A 525
SER A 553
LYS A 552
GLY A 526
 None
 0.79A 3tkdA-1pwwA:
undetectable		 3tkdA-1pwwA:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pzt BETA-1,4-GALACTOSYLT
RANSFERASE 1

(Bos taurus) 		PF02709
(Glyco_transf_7C)
PF13733
(Glyco_transf_7N) 		4 ILE A 339
PRO A 335
LYS A 341
GLY A 340
 None
 1.08A 3tkdA-1pztA:
undetectable		 3tkdA-1pztA:
22.96
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.
1qjc PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF01467
(CTP_transf_like) 		4 ILE A  21
PRO A 120
SER A 128
GLY A  17
 None
None
SO4  A1161 (-4.8A)
None
 1.11A 3tkdA-1qjcA:
undetectable		 3tkdA-1qjcA:
20.62
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.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP2)

(Rhinovirus A) 		PF00073
(Rhv) 		4 ILE 2 225
PRO 2 226
SER 2 157
GLY 2  77
 None
 1.16A 3tkdA-1r1a2:
undetectable		 3tkdA-1r1a2:
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.
1u10 PENICILLIN-INSENSITI
VE MUREIN
ENDOPEPTIDASE

(Escherichia
coli) 		PF03411
(Peptidase_M74) 		4 ILE A  37
PRO A 262
SER A  41
GLY A  43
 None
 1.14A 3tkdA-1u10A:
undetectable		 3tkdA-1u10A:
21.09
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.
1vbm TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		4 ILE A 196
PRO A  54
SER A 199
GLY A 197
 None
YSA  A3001 (-4.1A)
None
YSA  A3001 (-3.6A)
 1.04A 3tkdA-1vbmA:
undetectable		 3tkdA-1vbmA:
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.
1zq7 HYPOTHETICAL PROTEIN
MM0484

(Methanosarcina
mazei) 		PF01871
(AMMECR1) 		4 ILE A 125
PRO A 147
LYS A 127
GLY A 126
 None
 0.87A 3tkdA-1zq7A:
undetectable		 3tkdA-1zq7A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aka DYNAMIN-1

(Rattus
norvegicus) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		4 ILE B 152
PRO B 149
SER B 116
GLY B 114
 None
 0.99A 3tkdA-2akaB:
undetectable		 3tkdA-2akaB:
20.56
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.
2c5a GDP-MANNOSE-3',
5'-EPIMERASE

(Arabidopsis
thaliana) 		PF01370
(Epimerase) 		4 ILE A 146
PRO A 170
LYS A 178
GLY A 175
 None
None
NAD  A1378 (-2.8A)
None
 1.05A 3tkdA-2c5aA:
undetectable		 3tkdA-2c5aA:
21.39
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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		4 ILE A 256
PRO A 145
SER A 262
GLY A 257
 None
 1.03A 3tkdA-2cy7A:
undetectable		 3tkdA-2cy7A:
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.
2dmh MYOFERLIN

(Homo sapiens) 		PF00168
(C2) 		4 ILE A  64
PRO A  65
SER A 139
GLY A  63
 None
 0.99A 3tkdA-2dmhA:
undetectable		 3tkdA-2dmhA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e6n STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00567
(TUDOR) 		4 ILE A  41
PRO A  27
SER A  78
GLY A  82
 None
 1.06A 3tkdA-2e6nA:
undetectable		 3tkdA-2e6nA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eoq ZINC FINGER PROTEIN
224

(Homo sapiens) 		no annotation 4 ILE A  17
SER A  21
LYS A  20
GLY A  19
 ZN  A 201 ( 4.2A)
None
None
None
 1.15A 3tkdA-2eoqA:
undetectable		 3tkdA-2eoqA:
12.99
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.
2kxp F-ACTIN-CAPPING
PROTEIN SUBUNIT
ALPHA-1

(Gallus gallus) 		PF01267
(F-actin_cap_A) 		4 ILE A 154
SER A 147
LYS A 146
GLY A 145
 None
 1.17A 3tkdA-2kxpA:
undetectable		 3tkdA-2kxpA:
20.66
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.
2o4x STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00567
(TUDOR) 		4 ILE B 712
PRO B 698
SER B 749
GLY B 753
 None
 1.04A 3tkdA-2o4xB:
undetectable		 3tkdA-2o4xB:
15.75
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.
2q2e TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Methanosarcina
mazei) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		4 ILE B 320
PRO B 319
SER B 341
GLY B 321
 None
 1.12A 3tkdA-2q2eB:
undetectable		 3tkdA-2q2eB:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlp DEOXYCYTIDINE
TRIPHOSPHATE
DEAMINASE

(Mycobacterium
tuberculosis) 		PF00692
(dUTPase) 		4 ILE A 146
SER A 102
LYS A 101
GLY A 147
 None
 1.00A 3tkdA-2qlpA:
undetectable		 3tkdA-2qlpA:
20.38
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.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		4 ILE A 184
PRO A 193
SER A 180
GLY A 183
 FAD  A1535 (-4.2A)
None
FAD  A1535 (-3.2A)
FAD  A1535 (-3.3A)
 1.15A 3tkdA-2qpmA:
undetectable		 3tkdA-2qpmA:
19.38
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.
2rdm RESPONSE REGULATOR
RECEIVER PROTEIN

(Sinorhizobium
medicae) 		PF00072
(Response_reg) 		4 ILE A  40
PRO A  62
SER A  34
GLY A  36
 None
 1.18A 3tkdA-2rdmA:
undetectable		 3tkdA-2rdmA:
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.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		4 ILE A 419
SER A 526
LYS A 527
GLY A 528
 None
 1.16A 3tkdA-2x0sA:
undetectable		 3tkdA-2x0sA:
14.74
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.
2xts SULFITE
DEHYDROGENASE

(Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 ILE A 413
PRO A 393
LYS A 395
GLY A 412
 GOL  A1432 (-4.0A)
None
None
None
 1.17A 3tkdA-2xtsA:
undetectable		 3tkdA-2xtsA:
20.51
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.
2yy7 L-THREONINE
DEHYDROGENASE

(Flavobacterium
frigidimaris) 		PF01370
(Epimerase) 		4 ILE A 145
PRO A 139
SER A  80
GLY A 144
 None
None
GOL  A1001 (-3.6A)
None
 1.13A 3tkdA-2yy7A:
undetectable		 3tkdA-2yy7A:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zns GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 1

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A 504
PRO A 517
LYS A 747
GLY A 748
 None
 0.17A 3tkdA-2znsA:
19.7		 3tkdA-2znsA:
53.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zns GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 1

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 PRO A 517
SER A 746
LYS A 747
GLY A 748
 None
 0.67A 3tkdA-2znsA:
19.7		 3tkdA-2znsA:
53.26
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.
3cvo METHYLTRANSFERASE-LI
KE PROTEIN OF
UNKNOWN FUNCTION

(Ruegeria
pomeroyi) 		no annotation 4 ILE A  88
PRO A  97
LYS A 102
GLY A  89
 None
 1.12A 3tkdA-3cvoA:
undetectable		 3tkdA-3cvoA:
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.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum) 		PF00128
(Alpha-amylase) 		4 ILE A  54
SER A 112
LYS A  70
GLY A  55
 None
 1.17A 3tkdA-3dhuA:
undetectable		 3tkdA-3dhuA:
19.68
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.
3f7o SERINE PROTEASE

(Purpureocillium
lilacinum) 		PF00082
(Peptidase_S8) 		4 ILE A 268
PRO A 269
SER A 194
GLY A 267
 None
 1.12A 3tkdA-3f7oA:
undetectable		 3tkdA-3f7oA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ff4 UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF13380
(CoA_binding_2) 		4 ILE A  46
PRO A  11
LYS A  38
GLY A  39
 None
 1.17A 3tkdA-3ff4A:
2.0		 3tkdA-3ff4A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g8y SUSD/RAGB-ASSOCIATED
ESTERASE-LIKE
PROTEIN

(Bacteroides
vulgatus) 		PF12715
(Abhydrolase_7) 		4 ILE A 143
PRO A 261
SER A 146
GLY A 258
 None
 0.74A 3tkdA-3g8yA:
undetectable		 3tkdA-3g8yA:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 ILE A  92
PRO A 105
SER A 217
LYS A 218
GLY A 219
 None
CYZ  A 265 (-3.9A)
GOL  A 270 ( 3.0A)
None
None
 0.17A 3tkdA-3h6tA:
44.2		 3tkdA-3h6tA:
99.62
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.
3hzh CHEMOTAXIS RESPONSE
REGULATOR (CHEY-3)

(Borreliella
burgdorferi) 		PF00072
(Response_reg) 		4 ILE A  18
PRO A  25
SER A  47
GLY A  17
 None
 1.18A 3tkdA-3hzhA:
undetectable		 3tkdA-3hzhA:
21.59
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.
3k8z NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 ILE A  82
SER A  97
LYS A 115
GLY A 116
 None
 1.04A 3tkdA-3k8zA:
undetectable		 3tkdA-3k8zA:
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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		4 ILE A 198
PRO A 191
LYS A 196
GLY A 197
 None
 1.15A 3tkdA-3ka7A:
undetectable		 3tkdA-3ka7A:
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 ILE A 481
SER A 471
LYS A 469
GLY A 468
 None
KCX  A 490 ( 4.2A)
None
None
 1.17A 3tkdA-3la4A:
undetectable		 3tkdA-3la4A:
17.28
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.
3lft UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF04392
(ABC_sub_bind) 		5 ILE A 282
PRO A 166
SER A 317
LYS A 316
GLY A 315
 None
 1.30A 3tkdA-3lftA:
3.5		 3tkdA-3lftA:
25.24
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.
3m9g PROTEIN KINASE

(Staphylococcus
aureus) 		PF03793
(PASTA) 		4 ILE A 383
SER A 386
LYS A 385
GLY A 384
 None
 1.10A 3tkdA-3m9gA:
undetectable		 3tkdA-3m9gA:
21.54
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.
3nnd POSSIBLE SUBSTRATE
BINDING PROTEIN OF
ABC TRANSPORTER
SYSTEM

(Rhodopseudomonas
palustris) 		no annotation 4 ILE B 147
PRO B 249
LYS B 149
GLY B 148
 None
 0.77A 3tkdA-3nndB:
undetectable		 3tkdA-3nndB:
20.74
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.
3nuz PUTATIVE ACETYL
XYLAN ESTERASE

(Bacteroides
fragilis) 		PF12715
(Abhydrolase_7) 		4 ILE A 143
PRO A 261
SER A 146
GLY A 258
 None
 0.76A 3tkdA-3nuzA:
undetectable		 3tkdA-3nuzA:
22.62
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		4 ILE A 130
PRO A 364
LYS A 125
GLY A 128
 None
 1.07A 3tkdA-3nv9A:
undetectable		 3tkdA-3nv9A:
19.64
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.
3o0k ALDO/KETO REDUCTASE

(Brucella
abortus) 		PF00248
(Aldo_ket_red) 		4 ILE A 247
SER A 250
LYS A 249
GLY A  39
 None
 1.14A 3tkdA-3o0kA:
undetectable		 3tkdA-3o0kA:
23.10
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.
3pdx TYROSINE
AMINOTRANSFERASE

(Mus musculus) 		PF00155
(Aminotran_1_2) 		4 ILE A 113
PRO A 111
SER A 117
GLY A 114
 None
 1.01A 3tkdA-3pdxA:
undetectable		 3tkdA-3pdxA:
19.24
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.
3py9 PROTEIN KINASE

(Staphylococcus
aureus) 		PF03793
(PASTA) 		4 ILE A  13
SER A  16
LYS A  15
GLY A  14
 None
 1.02A 3tkdA-3py9A:
undetectable		 3tkdA-3py9A:
25.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A 488
PRO A 501
LYS A 731
GLY A 732
 None
 0.28A 3tkdA-3qxmA:
37.4		 3tkdA-3qxmA:
52.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u92 GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A  91
PRO A 104
LYS A 213
GLY A 214
 None
 0.30A 3tkdA-3u92A:
37.7		 3tkdA-3u92A:
52.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u92 GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 PRO A 104
SER A 212
LYS A 213
GLY A 214
 None
 0.67A 3tkdA-3u92A:
37.7		 3tkdA-3u92A:
52.09
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.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		4 ILE A 221
PRO A 213
SER A  48
GLY A 220
 None
 1.12A 3tkdA-3ukfA:
undetectable		 3tkdA-3ukfA:
19.00
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.
3vsm OCCLUSION-DERIVED
VIRUS ENVELOPE
PROTEIN E66

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF04850
(Baculo_E66) 		4 ILE A 473
SER A 370
LYS A 371
GLY A 386
 None
 0.80A 3tkdA-3vsmA:
undetectable		 3tkdA-3vsmA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 4 ILE A 303
PRO A 380
SER A 487
GLY A 492
 None
 1.06A 3tkdA-3w36A:
undetectable		 3tkdA-3w36A:
16.04
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.
3wbx PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		4 ILE A 205
PRO A 216
LYS A 207
GLY A 206
 None
 1.17A 3tkdA-3wbxA:
undetectable		 3tkdA-3wbxA:
19.93
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.
3wbx PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		4 ILE A 232
SER A 235
LYS A 234
GLY A  28
 None
None
SO4  A 301 (-4.2A)
None
 1.08A 3tkdA-3wbxA:
undetectable		 3tkdA-3wbxA:
19.93
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.
3wmx NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Cupriavidus
necator) 		PF01370
(Epimerase) 		4 ILE A 146
PRO A 140
SER A  81
GLY A 145
 None
None
THR  A 402 (-2.8A)
None
 1.07A 3tkdA-3wmxA:
undetectable		 3tkdA-3wmxA:
22.06
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.
4c1s GLYCOSIDE HYDROLASE
FAMILY 76
MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		4 ILE A 414
PRO A 391
SER A 385
GLY A 389
 None
 1.14A 3tkdA-4c1sA:
undetectable		 3tkdA-4c1sA:
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.
4d3d IMINE REDUCTASE

(Bacillus cereus) 		PF03446
(NAD_binding_2) 		4 ILE A 145
SER A 148
LYS A 147
GLY A 146
 None
 1.16A 3tkdA-4d3dA:
undetectable		 3tkdA-4d3dA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 ILE A 214
PRO A 207
SER A  46
GLY A 211
 None
None
FDA  A 502 (-3.1A)
None
 1.09A 3tkdA-4dshA:
undetectable		 3tkdA-4dshA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ej0 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E

(Burkholderia
thailandensis) 		PF01370
(Epimerase) 		4 ILE A 119
PRO A 135
LYS A 143
GLY A 140
 None
None
NAP  A 401 (-3.0A)
None
 1.14A 3tkdA-4ej0A:
undetectable		 3tkdA-4ej0A:
23.69
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.
4fzi PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
cruzi) 		PF00248
(Aldo_ket_red) 		4 ILE A 232
SER A 235
LYS A 234
GLY A  22
 None
 0.86A 3tkdA-4fziA:
undetectable		 3tkdA-4fziA:
22.93
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 ILE A1255
PRO A1253
SER A1345
GLY A1254
 None
 1.16A 3tkdA-4iglA:
undetectable		 3tkdA-4iglA:
11.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kcd GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 3A

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A 126
PRO A 139
SER A 123
GLY A 253
 None
 1.12A 3tkdA-4kcdA:
29.6		 3tkdA-4kcdA:
30.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kcd GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 3A

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A 126
PRO A 139
SER A 144
GLY A 251
 None
 1.06A 3tkdA-4kcdA:
29.6		 3tkdA-4kcdA:
30.19
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.
4lmh EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT OMCA

(Shewanella
oneidensis) 		no annotation 4 ILE A 299
PRO A 129
LYS A 304
GLY A 303
 None
None
HEC  A 802 ( 4.4A)
None
 1.09A 3tkdA-4lmhA:
undetectable		 3tkdA-4lmhA:
15.71
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.
4ng4 PHOSPHOGLYCERATE
KINASE

(Coxiella
burnetii) 		PF00162
(PGK) 		4 ILE A 318
PRO A 317
SER A 327
GLY A 319
 None
ADP  A 402 (-4.4A)
None
MG  A 401 (-3.2A)
 1.19A 3tkdA-4ng4A:
undetectable		 3tkdA-4ng4A:
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.
4oal CYTOKININ
DEHYDROGENASE 4

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		4 ILE A 185
PRO A 194
SER A 181
GLY A 184
 FAD  A 601 (-4.3A)
None
FAD  A 601 (-3.1A)
FAD  A 601 (-3.3A)
 1.15A 3tkdA-4oalA:
undetectable		 3tkdA-4oalA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pkv LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		4 ILE A 525
SER A 553
LYS A 552
GLY A 526
 None
 0.89A 3tkdA-4pkvA:
undetectable		 3tkdA-4pkvA:
18.98
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		4 ILE A 689
PRO A 536
SER A 723
GLY A 721
 None
 0.98A 3tkdA-4u1rA:
undetectable		 3tkdA-4u1rA:
16.88
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.
4wl2 PUTATIVE EXPORTED
CHOLOYLGLYCINE
HYDROLASE

(Pectobacterium
atrosepticum) 		PF02275
(CBAH) 		4 ILE A 134
PRO A  98
SER A 106
GLY A 104
 None
 0.87A 3tkdA-4wl2A:
undetectable		 3tkdA-4wl2A:
21.71
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 PRO A 354
SER A  31
LYS A  30
GLY A  29
 None
 1.14A 3tkdA-4xoxA:
undetectable		 3tkdA-4xoxA:
20.72
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		4 ILE A  16
PRO A  80
SER A  26
GLY A  78
 None
 1.09A 3tkdA-4yjiA:
2.6		 3tkdA-4yjiA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		4 ILE A 209
PRO A 293
SER A 224
GLY A 222
 None
 1.02A 3tkdA-4zfmA:
undetectable		 3tkdA-4zfmA:
21.63
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.
4zrm UDP-GLUCOSE
4-EPIMERASE

(Thermotoga
maritima) 		PF01370
(Epimerase) 		4 ILE A 121
PRO A 139
LYS A 147
GLY A 144
 None
None
NAD  A 401 (-2.8A)
None
 0.94A 3tkdA-4zrmA:
undetectable		 3tkdA-4zrmA:
24.39
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN B

(Bacillus
subtilis) 		PF02386
(TrkH) 		4 ILE I 418
PRO I 420
SER I 312
GLY I 416
 None
 1.15A 3tkdA-5butI:
undetectable		 3tkdA-5butI:
18.43
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.
5cfk PROLIFERATING CELL
NUCLEAR
ANTIGEN,PROLIFERATIN
G CELL NUCLEAR
ANTIGEN

(Leishmania
donovani) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 ILE A 128
PRO A 129
SER A 125
GLY A 127
 None
 1.09A 3tkdA-5cfkA:
undetectable		 3tkdA-5cfkA:
23.26
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.
5ch6 FRIGIDA

(Vitis vinifera) 		PF07899
(Frigida) 		4 ILE A 246
PRO A 247
SER A 243
GLY A 245
 None
 1.15A 3tkdA-5ch6A:
undetectable		 3tkdA-5ch6A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		4 ILE A 238
PRO A 667
SER A 662
GLY A 664
 None
 0.96A 3tkdA-5d9aA:
undetectable		 3tkdA-5d9aA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT

(Homo sapiens) 		PF12851
(Tet_JBP) 		4 ILE A1859
SER A1189
LYS A1188
GLY A1187
 None
 1.06A 3tkdA-5deuA:
undetectable		 3tkdA-5deuA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e05 NUCLEOCAPSID PROTEIN

(Sin Nombre
orthohantavirus) 		PF00846
(Hanta_nucleocap) 		4 ILE A 280
PRO A 316
SER A 121
LYS A 120
 None
 0.73A 3tkdA-5e05A:
undetectable		 3tkdA-5e05A:
21.77
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.
5fby SEPARASE

(Chaetomium
thermophilum) 		PF03568
(Peptidase_C50) 		4 ILE A2077
PRO A2076
SER A2054
GLY A2024
 None
 0.95A 3tkdA-5fbyA:
undetectable		 3tkdA-5fbyA:
18.02
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.
5h29 THIOREDOXIN
REDUCTASE/GLUTATHION
E-RELATED PROTEIN

(Enterococcus
faecalis) 		no annotation 4 ILE A 446
PRO A 447
SER A 428
GLY A 445
 None
 1.12A 3tkdA-5h29A:
undetectable		 3tkdA-5h29A:
17.73
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.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		4 ILE A  13
PRO A  76
SER A  23
GLY A  74
 None
 1.15A 3tkdA-5h6sA:
undetectable		 3tkdA-5h6sA:
20.46
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 ILE A1928
PRO A1929
SER A1862
GLY A1927
 None
 1.09A 3tkdA-5i6gA:
undetectable		 3tkdA-5i6gA:
13.08
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 ILE A1928
PRO A1929
SER A1862
GLY A1927
 None
 1.11A 3tkdA-5i6hA:
undetectable		 3tkdA-5i6hA:
10.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ict GLUTAMATE RECEPTOR 1

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A  98
PRO A 111
LYS A 223
GLY A 224
 None
 0.20A 3tkdA-5ictA:
39.2		 3tkdA-5ictA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikb GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4,GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A  91
PRO A 104
LYS A 214
GLY A 215
 None
 0.37A 3tkdA-5ikbA:
36.6		 3tkdA-5ikbA:
55.73
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.
5im4 PHOSPHOTRANSFERASE
SYSTEM,
MANNOSE/FRUCTOSE-SPE
CIFIC COMPONENT IIA

(Caldanaerobacter
subterraneus) 		PF03610
(EIIA-man) 		4 ILE F 121
PRO F  97
LYS F 123
GLY F 122
 None
 1.17A 3tkdA-5im4F:
2.6		 3tkdA-5im4F:
21.34
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.
5jz7 MEDI578 SCFV, HEAVY
CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 ILE C  52
PRO C  52
SER C  96
GLY C  33
 None
 1.17A 3tkdA-5jz7C:
undetectable		 3tkdA-5jz7C:
19.39
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.
5kju SHIKIMATE
O-HYDROXYCINNAMOYLTR
ANSFERASE

(Arabidopsis
thaliana) 		PF02458
(Transferase) 		4 ILE A 394
PRO A 395
SER A  38
GLY A 393
 None
None
6TO  A 800 ( 4.3A)
None
 0.90A 3tkdA-5kjuA:
undetectable		 3tkdA-5kjuA:
18.68
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.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 ILE A 488
PRO A 501
LYS A 731
GLY A 732
 None
 0.70A 3tkdA-5kufA:
34.9		 3tkdA-5kufA:
19.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 ILE A 481
PRO A 494
LYS A 730
GLY A 731
 None
 0.53A 3tkdA-5l1bA:
22.3		 3tkdA-5l1bA:
34.77
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.
5low RABPHILIN-3A

(Rattus
norvegicus) 		PF00168
(C2) 		4 ILE A 634
SER A 637
LYS A 636
GLY A 635
 None
None
CA  A 703 ( 3.8A)
None
 1.02A 3tkdA-5lowA:
undetectable		 3tkdA-5lowA:
20.61
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.
5na7 PUTATIVE
DIPEPTIDYL-PEPTIDASE
III

(Bacteroides
thetaiotaomicron) 		no annotation 4 ILE A  36
PRO A 378
LYS A 628
GLY A 629
 None
 1.07A 3tkdA-5na7A:
undetectable		 3tkdA-5na7A:
18.34
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.
5tos SERINE/THREONINE-PRO
TEIN KINASE BIK1

(Arabidopsis
thaliana) 		no annotation 4 ILE A 137
SER A  54
LYS A  52
GLY A 138
 None
 1.17A 3tkdA-5tosA:
undetectable		 3tkdA-5tosA:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		5 ILE A 481
PRO A 494
SER A 729
LYS A 730
GLY A 731
 None
 0.81A 3tkdA-5welA:
32.6		 3tkdA-5welA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ILE A 481
PRO A 494
SER A 729
LYS A 730
GLY A 731
 None
CYZ  A1302 (-4.5A)
None
GLU  A1301 ( 3.7A)
None
 0.59A 3tkdA-5weoA:
25.4		 3tkdA-5weoA:
33.90
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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 4 ILE C 229
SER C 232
LYS C 231
GLY C 470
 None
 1.06A 3tkdA-5x6xC:
undetectable		 3tkdA-5x6xC:
15.20
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.
5xtg 2,3-DIHYDROXY-2,3-DI
HYDROPHENYLPROPIONAT
E DEHYDROGENASE

(Pseudomonas sp.
MC1) 		PF13561
(adh_short_C2) 		4 ILE B  16
PRO B 224
SER B 188
GLY B  15
 NAD  B 301 (-3.7A)
None
BPY  B 303 ( 4.9A)
NAD  B 301 (-3.2A)
 1.11A 3tkdA-5xtgB:
undetectable		 3tkdA-5xtgB:
25.58
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT E
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G

(Pyrococcus
furiosus) 		no annotation 4 PRO C  67
SER A  27
LYS A  22
GLY A  23
 None
 1.14A 3tkdA-6cfwC:
undetectable		 3tkdA-6cfwC:
15.85
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.
1vlc 3-ISOPROPYLMALATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00180
(Iso_dh) 		5 PRO A 106
SER A 261
LEU A 130
SER A 249
ASP A 247
 None
 1.48A 3tkdB-1vlcA:
undetectable		 3tkdB-1vlcA:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zns GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 1

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		6 LYS A 516
PRO A 517
MET A 519
LEU A 768
LEU A 776
LYS A 780
 None
 0.81A 3tkdB-2znsA:
37.7		 3tkdB-2znsA:
53.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		8 LYS A 104
PRO A 105
MET A 107
SER A 108
LEU A 239
SER A 242
LEU A 247
LYS A 251
 None
CYZ  A 265 (-3.9A)
None
CYZ  A 265 (-2.8A)
CYZ  A 265 (-4.7A)
CYZ  A 265 (-2.9A)
CYZ  A 265 (-4.3A)
CYZ  A 265 ( 4.4A)
 0.36A 3tkdB-3h6tA:
42.7		 3tkdB-3h6tA:
99.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		6 LYS A 500
PRO A 501
MET A 503
LEU A 752
LEU A 760
LYS A 764
 None
 0.78A 3tkdB-3qxmA:
37.7		 3tkdB-3qxmA:
52.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u92 GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		6 LYS A 103
PRO A 104
MET A 106
LEU A 234
LEU A 242
LYS A 246
 None
None
None
None
None
ZN  A 259 (-3.5A)
 0.84A 3tkdB-3u92A:
37.7		 3tkdB-3u92A:
52.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wxj GLUTAMATE RECEPTOR
IIB,GLUTAMATE
RECEPTOR IIB

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 PRO A 112
MET A 114
LEU A 245
SER A 248
LEU A 253
 None
 0.58A 3tkdB-4wxjA:
36.7		 3tkdB-4wxjA:
40.36
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.
4zws RECOMBINATION
PROTEIN UVSY

(Escherichia
virus T4) 		PF11056
(UvsY) 		5 LEU A 107
SER A 111
LEU A 114
ASP A 115
LYS A 118
 None
 0.98A 3tkdB-4zwsA:
undetectable		 3tkdB-4zwsA:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtb CG3822

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 PRO A 109
MET A 111
LEU A 242
LEU A 250
LYS A 254
 None
 0.44A 3tkdB-5dtbA:
38.8		 3tkdB-5dtbA:
54.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ict GLUTAMATE RECEPTOR 1

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 LYS A 110
PRO A 111
MET A 113
LEU A 244
LEU A 252
 None
 0.99A 3tkdB-5ictA:
38.6		 3tkdB-5ictA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikb GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4,GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 LYS A 103
PRO A 104
MET A 106
LEU A 243
LYS A 247
 None
 0.88A 3tkdB-5ikbA:
36.7		 3tkdB-5ikbA:
55.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikb GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4,GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 PRO A 104
MET A 106
LEU A 235
LEU A 243
LYS A 247
 None
 0.51A 3tkdB-5ikbA:
36.7		 3tkdB-5ikbA:
55.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		8 LYS A 493
PRO A 494
MET A 496
LEU A 751
SER A 754
LEU A 759
ASP A 760
LYS A 763
 None
 0.48A 3tkdB-5l1bA:
21.7		 3tkdB-5l1bA:
34.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		8 PRO A 494
MET A 496
SER A 497
LEU A 751
SER A 754
LEU A 759
ASP A 760
LYS A 763
 None
 0.62A 3tkdB-5l1bA:
21.7		 3tkdB-5l1bA:
34.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		8 LYS A 493
PRO A 494
MET A 496
SER A 497
LEU A 751
SER A 754
LEU A 759
ASP A 760
 None
 0.86A 3tkdB-5welA:
31.6		 3tkdB-5welA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		8 LYS A 493
PRO A 494
MET A 496
SER A 497
LEU A 751
SER A 754
LEU A 759
LYS A 763
 None
 0.96A 3tkdB-5welA:
31.6		 3tkdB-5welA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		6 LYS A 493
MET A 496
LEU A 751
SER A 754
LEU A 759
LYS A 763
 None
CYZ  A1302 (-4.3A)
None
CYZ  A1302 ( 4.1A)
None
CYZ  A1302 (-2.9A)
 0.91A 3tkdB-5weoA:
24.5		 3tkdB-5weoA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		6 LYS A 493
MET A 496
SER A 497
LEU A 751
LEU A 759
ASP A 760
 None
CYZ  A1302 (-4.3A)
CYZ  A1302 (-3.2A)
None
None
CYZ  A1302 (-3.8A)
 0.73A 3tkdB-5weoA:
24.5		 3tkdB-5weoA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		6 LYS A 493
MET A 496
SER A 497
LEU A 751
LEU A 759
LYS A 763
 None
CYZ  A1302 (-4.3A)
CYZ  A1302 (-3.2A)
None
None
CYZ  A1302 (-2.9A)
 0.90A 3tkdB-5weoA:
24.5		 3tkdB-5weoA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LYS A 493
PRO A 494
MET A 496
LEU A 751
SER A 754
 None
CYZ  A1302 (-4.5A)
CYZ  A1302 (-4.3A)
None
CYZ  A1302 ( 4.1A)
 0.90A 3tkdB-5weoA:
24.5		 3tkdB-5weoA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LYS A 493
PRO A 494
MET A 496
SER A 497
LEU A 751
 None
CYZ  A1302 (-4.5A)
CYZ  A1302 (-4.3A)
CYZ  A1302 (-3.2A)
None
 0.66A 3tkdB-5weoA:
24.5		 3tkdB-5weoA:
33.90
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 5 PRO A 125
SER A 129
LEU A  70
SER A  66
LEU A  63
 None
 1.48A 3tkdB-6em0A:
undetectable		 3tkdB-6em0A:
16.35