SIMILAR PATTERNS OF AMINO ACIDS FOR 4TWD_H_377H401

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.
1a6f RIBONUCLEASE P
PROTEIN

(Bacillus
subtilis) 		PF00825
(Ribonuclease_P) 		4 TYR A  96
GLU A  73
GLU A  74
PHE A 107
 None
 1.41A 4twdG-1a6fA:
undetectable
4twdH-1a6fA:
undetectable		 4twdG-1a6fA:
16.67
4twdH-1a6fA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		4 ASN A 573
GLU A 576
GLU A 550
PHE A 579
 None
 1.47A 4twdG-1fokA:
undetectable
4twdH-1fokA:
undetectable		 4twdG-1fokA:
19.32
4twdH-1fokA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		4 TYR A 220
GLU A 153
TYR A 210
PHE A 139
 None
 1.17A 4twdG-1h4pA:
undetectable
4twdH-1h4pA:
undetectable		 4twdG-1h4pA:
21.14
4twdH-1h4pA:
21.14
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.
1kp2 ARGININOSUCCINATE
SYNTHETASE

(Escherichia
coli) 		PF00764
(Arginosuc_synth) 		4 TYR A 331
ASN A 100
GLU A 279
GLU A 202
 PO4  A 456 (-4.6A)
None
PO4  A 456 (-3.7A)
PO4  A 456 (-3.3A)
 1.37A 4twdG-1kp2A:
0.0
4twdH-1kp2A:
0.0		 4twdG-1kp2A:
20.27
4twdH-1kp2A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 TYR A 235
ASN A 293
GLU A 781
GLU A 785
 None
 1.34A 4twdG-1nl3A:
0.0
4twdH-1nl3A:
1.3		 4twdG-1nl3A:
15.27
4twdH-1nl3A:
15.27
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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 355
GLU A 361
TYR A 415
PHE A 381
 None
 0.71A 4twdG-1nylA:
0.0
4twdH-1nylA:
0.0		 4twdG-1nylA:
19.37
4twdH-1nylA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 ASN A 172
GLU A 230
TYR A  46
PHE A 237
 None
None
GLA  A 400 (-4.5A)
None
 1.06A 4twdG-1pieA:
1.2
4twdH-1pieA:
0.0		 4twdG-1pieA:
23.00
4twdH-1pieA:
23.00
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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ASN A 404
GLU A 346
GLU A 343
TYR A 485
 None
 1.49A 4twdG-1qf7A:
0.0
4twdH-1qf7A:
0.0		 4twdG-1qf7A:
17.54
4twdH-1qf7A:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		4 TYR A  34
GLU A 107
GLU A 147
TYR A  54
 None
 1.46A 4twdG-1r03A:
0.9
4twdH-1r03A:
2.2		 4twdG-1r03A:
20.79
4twdH-1r03A:
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.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		4 TYR A  54
GLU A 147
GLU A 107
TYR A  34
 None
 1.33A 4twdG-1r03A:
0.9
4twdH-1r03A:
2.2		 4twdG-1r03A:
20.79
4twdH-1r03A:
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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		4 TYR A 334
GLU A 258
TYR A 190
PHE A 256
 None
 1.47A 4twdG-1v5cA:
0.0
4twdH-1v5cA:
0.0		 4twdG-1v5cA:
21.92
4twdH-1v5cA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		4 TYR A 375
GLU A 410
TYR A 318
PHE A 413
 None
 1.49A 4twdG-1v5cA:
0.0
4twdH-1v5cA:
0.0		 4twdG-1v5cA:
21.92
4twdH-1v5cA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ye9 CATALASE HPII

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ASN E 404
GLU E 346
GLU E 343
TYR E 485
 None
 1.44A 4twdG-1ye9E:
undetectable
4twdH-1ye9E:
undetectable		 4twdG-1ye9E:
24.38
4twdH-1ye9E:
24.38
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.
1yx1 HYPOTHETICAL PROTEIN
PA2260

(Pseudomonas
aeruginosa) 		PF01261
(AP_endonuc_2) 		4 ASN A 130
GLU A 228
GLU A  39
TYR A 185
 None
 1.19A 4twdG-1yx1A:
undetectable
4twdH-1yx1A:
undetectable		 4twdG-1yx1A:
21.93
4twdH-1yx1A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		4 TYR A  39
ASN A  38
GLU A 142
GLU A 134
 None
 1.41A 4twdG-1z7mA:
undetectable
4twdH-1z7mA:
undetectable		 4twdG-1z7mA:
21.88
4twdH-1z7mA:
21.88
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.
1zi7 KES1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		4 ASN A 125
GLU A  51
GLU A  55
PHE A  58
 None
 1.44A 4twdG-1zi7A:
undetectable
4twdH-1zi7A:
undetectable		 4twdG-1zi7A:
21.43
4twdH-1zi7A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ayi AMINOPEPTIDASE T

(Thermus
thermophilus) 		PF02073
(Peptidase_M29) 		4 ASN A 245
GLU A 316
TYR A 352
PHE A 252
 None
ZN  A 500 ( 2.7A)
None
ZN  A 501 ( 4.8A)
 1.27A 4twdG-2ayiA:
undetectable
4twdH-2ayiA:
undetectable		 4twdG-2ayiA:
20.36
4twdH-2ayiA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzn GMP REDUCTASE 2

(Homo sapiens) 		PF00478
(IMPDH) 		4 TYR A 134
GLU A 163
GLU A 204
TYR A 196
 None
 1.49A 4twdG-2bznA:
undetectable
4twdH-2bznA:
undetectable		 4twdG-2bznA:
18.84
4twdH-2bznA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzn GMP REDUCTASE 2

(Homo sapiens) 		PF00478
(IMPDH) 		4 TYR A 196
GLU A 204
GLU A 163
TYR A 134
 None
 1.36A 4twdG-2bznA:
undetectable
4twdH-2bznA:
undetectable		 4twdG-2bznA:
18.84
4twdH-2bznA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1l RESTRICTION
ENDONUCLEASE

(Bacillus firmus) 		PF13091
(PLDc_2) 		4 ASN A 347
GLU A 197
TYR A 312
PHE A 237
 None
 1.41A 4twdG-2c1lA:
undetectable
4twdH-2c1lA:
undetectable		 4twdG-2c1lA:
22.22
4twdH-2c1lA:
22.22
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.
2dyl DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 220
GLU A 330
TYR A 299
PHE A 336
 None
 1.32A 4twdG-2dylA:
undetectable
4twdH-2dylA:
undetectable		 4twdG-2dylA:
20.54
4twdH-2dylA:
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.
2f07 YVDT

(Bacillus
subtilis) 		PF00440
(TetR_N) 		4 TYR A 106
GLU A 164
GLU A 160
TYR A 122
 BTB  A 289 (-4.8A)
BTB  A 289 (-4.0A)
BTB  A 289 (-3.3A)
BTB  A 289 (-3.8A)
 1.10A 4twdG-2f07A:
undetectable
4twdH-2f07A:
1.9		 4twdG-2f07A:
19.74
4twdH-2f07A:
19.74
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.
2f07 YVDT

(Bacillus
subtilis) 		PF00440
(TetR_N) 		4 TYR A 122
GLU A 160
GLU A 164
TYR A 106
 BTB  A 289 (-3.8A)
BTB  A 289 (-3.3A)
BTB  A 289 (-4.0A)
BTB  A 289 (-4.8A)
 1.24A 4twdG-2f07A:
undetectable
4twdH-2f07A:
1.9		 4twdG-2f07A:
19.74
4twdH-2f07A:
19.74
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.
2iqx PHOSPHATIDYLETHANOLA
MINE-BINDING PROTEIN
1

(Rattus
norvegicus) 		PF01161
(PBP) 		4 ASN A  91
GLU A 135
TYR A 158
PHE A 154
 None
 1.03A 4twdG-2iqxA:
undetectable
4twdH-2iqxA:
undetectable		 4twdG-2iqxA:
19.74
4twdH-2iqxA:
19.74
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.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		4 TYR A 467
ASN A 420
GLU A 376
TYR A 387
 None
 1.25A 4twdG-2jf4A:
undetectable
4twdH-2jf4A:
undetectable		 4twdG-2jf4A:
20.00
4twdH-2jf4A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzx ALPHA1,3-FUCOSYLTRAN
SFERASE

(Helicobacter
pylori) 		PF00852
(Glyco_transf_10) 		4 ASN A 314
GLU A 310
TYR A 255
PHE A 278
 None
 1.50A 4twdG-2nzxA:
undetectable
4twdH-2nzxA:
undetectable		 4twdG-2nzxA:
22.48
4twdH-2nzxA:
22.48
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.
2oap TYPE II SECRETION
SYSTEM PROTEIN

(Archaeoglobus
fulgidus) 		PF00437
(T2SSE) 		4 TYR 1 486
ASN 1 278
GLU 1 232
PHE 1 229
 None
 1.06A 4twdG-2oap1:
0.1
4twdH-2oap1:
undetectable		 4twdG-2oap1:
21.62
4twdH-2oap1:
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.
2qnt UNCHARACTERIZED
PROTEIN ATU1872

(Agrobacterium
fabrum) 		PF12681
(Glyoxalase_2) 		4 ASN A  69
GLU A  51
TYR A  65
PHE A   9
 None
 1.47A 4twdG-2qntA:
undetectable
4twdH-2qntA:
undetectable		 4twdG-2qntA:
17.61
4twdH-2qntA:
17.61
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.
2wda PUTATIVE SECRETED
LYASE

(Streptomyces
violaceoruber) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ASN A 139
GLU A 434
GLU A 429
TYR A 253
 GOL  A1773 (-2.8A)
L42  A1784 (-3.5A)
None
L42  A1784 ( 3.4A)
 1.47A 4twdG-2wdaA:
undetectable
4twdH-2wdaA:
undetectable		 4twdG-2wdaA:
16.36
4twdH-2wdaA:
16.36
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.
2wqh CTPR3Y3

(synthetic
construct) 		PF13414
(TPR_11)
PF13432
(TPR_16) 		4 TYR A  20
ASN A  17
GLU A  78
TYR A  47
 None
 1.17A 4twdG-2wqhA:
undetectable
4twdH-2wqhA:
undetectable		 4twdG-2wqhA:
16.49
4twdH-2wqhA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ypd PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		4 ASN A2470
GLU A2243
TYR A2348
PHE A2242
 None
 1.18A 4twdG-2ypdA:
undetectable
4twdH-2ypdA:
undetectable		 4twdG-2ypdA:
21.48
4twdH-2ypdA:
21.48
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 4 TYR A 595
ASN A 364
GLU A 422
TYR A 326
 RAM  A 639 (-4.7A)
None
CA  A 629 (-2.6A)
None
 1.32A 4twdG-2zuxA:
undetectable
4twdH-2zuxA:
undetectable		 4twdG-2zuxA:
18.07
4twdH-2zuxA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 TYR A 841
GLU A 839
GLU A 813
TYR A 802
 None
 1.15A 4twdG-3abzA:
2.3
4twdH-3abzA:
2.5		 4twdG-3abzA:
16.81
4twdH-3abzA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermotoga
maritima) 		PF01425
(Amidase) 		4 ASN A 431
GLU A 264
GLU A 268
TYR A 462
 None
 1.50A 4twdG-3al0A:
undetectable
4twdH-3al0A:
undetectable		 4twdG-3al0A:
20.33
4twdH-3al0A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cc8 PUTATIVE
METHYLTRANSFERASE

(Bacillus cereus) 		PF13489
(Methyltransf_23) 		4 TYR A 185
GLU A 214
TYR A 220
PHE A 164
 None
 1.47A 4twdG-3cc8A:
undetectable
4twdH-3cc8A:
undetectable		 4twdG-3cc8A:
20.95
4twdH-3cc8A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3czp PUTATIVE
POLYPHOSPHATE KINASE
2

(Pseudomonas
aeruginosa) 		PF03976
(PPK2) 		4 TYR A 109
ASN A  47
GLU A 137
PHE A  91
 None
 1.43A 4twdG-3czpA:
undetectable
4twdH-3czpA:
0.8		 4twdG-3czpA:
18.77
4twdH-3czpA:
18.77
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.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 ASN A 199
GLU A 177
GLU A 132
TYR A  58
 None
ONL  A 800 (-3.4A)
ONL  A 800 (-4.8A)
GOL  A 805 (-4.5A)
 1.23A 4twdG-3dlaA:
undetectable
4twdH-3dlaA:
undetectable		 4twdG-3dlaA:
18.39
4twdH-3dlaA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fxb TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		4 ASN A 184
GLU A   9
GLU A   8
PHE A  66
 4CS  A 401 (-3.0A)
4CS  A 401 (-3.7A)
4CS  A 401 ( 4.6A)
4CS  A 401 (-4.4A)
 1.28A 4twdG-3fxbA:
undetectable
4twdH-3fxbA:
undetectable		 4twdG-3fxbA:
23.12
4twdH-3fxbA:
23.12
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.
3m0e TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00158
(Sigma54_activat) 		4 ASN A 282
GLU A 306
GLU A 304
TYR A 297
 None
 1.26A 4twdG-3m0eA:
undetectable
4twdH-3m0eA:
undetectable		 4twdG-3m0eA:
18.46
4twdH-3m0eA:
18.46
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.
3mn2 PROBABLE ARAC FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodopseudomonas
palustris) 		PF12833
(HTH_18) 		4 GLU A 229
GLU A 225
TYR A 262
PHE A 256
 None
 1.50A 4twdG-3mn2A:
undetectable
4twdH-3mn2A:
undetectable		 4twdG-3mn2A:
15.81
4twdH-3mn2A:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nr5 REPRESSOR OF RNA
POLYMERASE III
TRANSCRIPTION MAF1
HOMOLOG

(Homo sapiens) 		PF09174
(Maf1) 		4 ASN A  54
GLU A  70
TYR A 121
PHE A  71
 None
 1.46A 4twdG-3nr5A:
undetectable
4twdH-3nr5A:
undetectable		 4twdG-3nr5A:
18.21
4twdH-3nr5A:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntt CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
B) 		PF00740
(Parvo_coat) 		4 TYR A 247
ASN A 243
GLU A 389
TYR A 368
 None
NA  A 726 (-4.6A)
None
None
 1.37A 4twdG-3nttA:
undetectable
4twdH-3nttA:
0.9		 4twdG-3nttA:
17.68
4twdH-3nttA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3of7 REGULATOR OF
CHROMOSOME
CONDENSATION

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		4 GLU A 163
GLU A 185
TYR A 187
PHE A 181
 None
 1.48A 4twdG-3of7A:
undetectable
4twdH-3of7A:
undetectable		 4twdG-3of7A:
21.12
4twdH-3of7A:
21.12
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.
3p6b CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF02018
(CBM_4_9) 		4 ASN A  73
GLU A  44
GLU A  39
PHE A  42
 CA  A 205 (-3.2A)
None
None
None
 1.49A 4twdG-3p6bA:
undetectable
4twdH-3p6bA:
undetectable		 4twdG-3p6bA:
19.87
4twdH-3p6bA:
19.87
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.
3q6t 43.2 KDA SALIVARY
PROTEIN

(Lutzomyia
longipalpis) 		PF03022
(MRJP) 		4 TYR A 153
ASN A 177
GLU A 109
TYR A  90
 None
 1.45A 4twdG-3q6tA:
undetectable
4twdH-3q6tA:
undetectable		 4twdG-3q6tA:
23.02
4twdH-3q6tA:
23.02
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.
3qv0 MITOCHONDRIAL ACIDIC
PROTEIN MAM33

(Saccharomyces
cerevisiae) 		PF02330
(MAM33) 		4 GLU A 236
GLU A 237
TYR A  84
PHE A  80
 None
 1.35A 4twdG-3qv0A:
undetectable
4twdH-3qv0A:
undetectable		 4twdG-3qv0A:
22.15
4twdH-3qv0A:
22.15
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.
3ra2 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 TYR A 258
ASN A 254
GLU A 399
TYR A 380
 None
 1.43A 4twdG-3ra2A:
undetectable
4twdH-3ra2A:
undetectable		 4twdG-3ra2A:
22.15
4twdH-3ra2A:
22.15
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 TYR A 383
GLU A 540
TYR A 445
PHE A 543
 None
 1.06A 4twdG-3rm5A:
undetectable
4twdH-3rm5A:
undetectable		 4twdG-3rm5A:
16.91
4twdH-3rm5A:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 TYR A 403
ASN A 404
TYR A 104
PHE A 181
 QNB  A1162 (-3.9A)
QNB  A1162 (-2.9A)
QNB  A1162 (-4.0A)
QNB  A1162 (-4.4A)
 1.32A 4twdG-3uonA:
undetectable
4twdH-3uonA:
1.7		 4twdG-3uonA:
19.33
4twdH-3uonA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 TYR A 453
GLU A 656
GLU A 578
TYR A 162
 None
 1.12A 4twdG-3viuA:
undetectable
4twdH-3viuA:
undetectable		 4twdG-3viuA:
17.84
4twdH-3viuA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vw5 CELLOBIOSE
2-EPIMERASE

(Ruminococcus
albus) 		PF07221
(GlcNAc_2-epim) 		4 TYR A 110
ASN A 111
GLU A 187
TYR A 373
 None
 1.24A 4twdG-3vw5A:
0.4
4twdH-3vw5A:
undetectable		 4twdG-3vw5A:
22.06
4twdH-3vw5A:
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.
3wnw FERRITIN HEAVY CHAIN

(Mus musculus) 		PF00210
(Ferritin) 		4 TYR A  34
GLU A 107
GLU A 147
TYR A  54
 None
 1.38A 4twdG-3wnwA:
1.2
4twdH-3wnwA:
undetectable		 4twdG-3wnwA:
19.05
4twdH-3wnwA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wnw FERRITIN HEAVY CHAIN

(Mus musculus) 		PF00210
(Ferritin) 		4 TYR A  54
GLU A 147
GLU A 107
TYR A  34
 None
 1.29A 4twdG-3wnwA:
1.2
4twdH-3wnwA:
undetectable		 4twdG-3wnwA:
19.05
4twdH-3wnwA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zqb PROTEIN PRGI, CELL
INVASION PROTEIN
SIPD

(Salmonella
enterica) 		PF06511
(IpaD)
PF09392
(T3SS_needle_F) 		4 TYR A 149
ASN A  59
GLU A 237
PHE A 215
 None
 1.02A 4twdG-3zqbA:
undetectable
4twdH-3zqbA:
undetectable		 4twdG-3zqbA:
22.41
4twdH-3zqbA:
22.41
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.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 4 TYR A  83
GLU A  43
GLU A  42
PHE A 102
 None
BTB  A1332 ( 3.4A)
BTB  A1330 ( 4.6A)
None
 1.43A 4twdG-4as3A:
undetectable
4twdH-4as3A:
undetectable		 4twdG-4as3A:
21.90
4twdH-4as3A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bug ANCILLARY PROTEIN 1

(Streptococcus
pyogenes) 		PF08341
(TED) 		4 TYR A 298
GLU A 384
TYR A 466
PHE A 566
 None
 1.48A 4twdG-4bugA:
undetectable
4twdH-4bugA:
undetectable		 4twdG-4bugA:
19.91
4twdH-4bugA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A 599
GLU A 591
TYR A 623
PHE A 590
 None
 1.30A 4twdG-4c7vA:
undetectable
4twdH-4c7vA:
undetectable		 4twdG-4c7vA:
17.60
4twdH-4c7vA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7w HEMAGGLUTININ-ESTERA
SE

(Murine
coronavirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 TYR A  95
GLU A 106
TYR A 135
PHE A 104
 None
 1.49A 4twdG-4c7wA:
undetectable
4twdH-4c7wA:
undetectable		 4twdG-4c7wA:
20.26
4twdH-4c7wA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I

(Bacillus
subtilis) 		PF13424
(TPR_12) 		4 GLU A 236
GLU A 343
TYR A 271
PHE A 340
 None
 1.40A 4twdG-4i1aA:
undetectable
4twdH-4i1aA:
undetectable		 4twdG-4i1aA:
21.22
4twdH-4i1aA:
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		4 TYR A  12
ASN A  15
GLU A 288
TYR A 141
 None
 1.20A 4twdG-4ineA:
undetectable
4twdH-4ineA:
undetectable		 4twdG-4ineA:
21.03
4twdH-4ineA:
21.03
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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		4 TYR A 229
ASN A 232
TYR A 201
PHE A 283
 None
None
FMT  A 501 (-3.3A)
FMT  A 501 (-3.1A)
 1.23A 4twdG-4kv7A:
undetectable
4twdH-4kv7A:
undetectable		 4twdG-4kv7A:
21.68
4twdH-4kv7A:
21.68
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.
4m75 U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM5
U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM6

(Saccharomyces
cerevisiae) 		PF01423
(LSM) 		4 TYR D  80
ASN D  25
GLU E  50
GLU D  57
 None
 1.37A 4twdG-4m75D:
undetectable
4twdH-4m75D:
undetectable		 4twdG-4m75D:
12.70
4twdH-4m75D:
12.70
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.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		4 TYR A  52
GLU A 233
TYR A 299
PHE A 239
 None
 1.42A 4twdG-4madA:
undetectable
4twdH-4madA:
undetectable		 4twdG-4madA:
19.22
4twdH-4madA:
19.22
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.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		4 TYR A 498
GLU A 219
GLU A 218
TYR A  70
 None
 0.79A 4twdG-4n4kA:
undetectable
4twdH-4n4kA:
undetectable		 4twdG-4n4kA:
21.08
4twdH-4n4kA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 368
GLU A 374
TYR A 428
PHE A 394
 None
 0.68A 4twdG-4p2bA:
undetectable
4twdH-4p2bA:
undetectable		 4twdG-4p2bA:
17.79
4twdH-4p2bA:
17.79
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.
4qc8 VP2

(Ungulate
bocaparvovirus
1) 		PF00740
(Parvo_coat) 		4 TYR A  76
ASN A  72
GLU A 226
TYR A 194
 None
 1.14A 4twdG-4qc8A:
undetectable
4twdH-4qc8A:
undetectable		 4twdG-4qc8A:
20.00
4twdH-4qc8A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qc8 VP2

(Ungulate
bocaparvovirus
1) 		PF00740
(Parvo_coat) 		4 TYR A  76
ASN A  72
GLU A 226
TYR A 196
 None
 1.44A 4twdG-4qc8A:
undetectable
4twdH-4qc8A:
undetectable		 4twdG-4qc8A:
20.00
4twdH-4qc8A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl9 CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN

(Acinetobacter
baumannii) 		no annotation 4 ASN A  74
GLU A  24
GLU A 169
TYR A 151
 None
 1.46A 4twdG-4rl9A:
undetectable
4twdH-4rl9A:
undetectable		 4twdG-4rl9A:
22.05
4twdH-4rl9A:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		4 GLU A  77
GLU A 131
TYR A 175
PHE A 188
 BR7  A 401 ( 4.9A)
BR7  A 401 (-4.1A)
BR7  A 401 (-3.9A)
BR7  A 401 (-3.9A)
 0.39A 4twdG-4twfA:
34.0
4twdH-4twfA:
34.3		 4twdG-4twfA:
100.00
4twdH-4twfA:
100.00
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.
4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE

(Klebsiella
pneumoniae) 		PF10706
(Aminoglyc_resit) 		4 ASN A  20
GLU A  56
GLU A  52
TYR A  97
 None
 1.20A 4twdG-4wqlA:
undetectable
4twdH-4wqlA:
undetectable		 4twdG-4wqlA:
20.93
4twdH-4wqlA:
20.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		4 GLU A  77
GLU A 131
TYR A 175
PHE A 188
 None
 0.59A 4twdG-4yeuA:
29.6
4twdH-4yeuA:
29.5		 4twdG-4yeuA:
71.25
4twdH-4yeuA:
71.25
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.
4zpx ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF13654
(AAA_32) 		4 TYR A 399
GLU A  31
GLU A  32
PHE A  27
 None
 0.86A 4twdG-4zpxA:
undetectable
4twdH-4zpxA:
undetectable		 4twdG-4zpxA:
21.12
4twdH-4zpxA:
21.12
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.
5a08 PROBABLE
MANNOSYLTRANSFERASE
KTR4

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		4 GLU A 311
GLU A 312
TYR A 370
PHE A 309
 None
 1.43A 4twdG-5a08A:
undetectable
4twdH-5a08A:
undetectable		 4twdG-5a08A:
20.37
4twdH-5a08A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a6s ENDOLYSIN

(Clostridium
phage phiCTP1) 		PF01183
(Glyco_hydro_25) 		4 TYR A 145
ASN A 144
GLU A  94
TYR A 121
 None
None
SO4  A1274 (-3.0A)
SO4  A1274 (-4.4A)
 1.39A 4twdG-5a6sA:
undetectable
4twdH-5a6sA:
undetectable		 4twdG-5a6sA:
20.62
4twdH-5a6sA:
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.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 357
GLU A 364
TYR A 417
PHE A 383
 None
 0.73A 4twdG-5bnzA:
undetectable
4twdH-5bnzA:
undetectable		 4twdG-5bnzA:
21.68
4twdH-5bnzA:
21.68
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.
5bop NANOBODY
OCTARELLIN V.1

(Lama glama;
synthetic
construct) 		PF07686
(V-set)
no annotation 		4 TYR A 106
ASN B 149
GLU B 155
TYR A  32
 None
 1.39A 4twdG-5bopA:
undetectable
4twdH-5bopA:
undetectable		 4twdG-5bopA:
17.69
4twdH-5bopA:
17.69
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.
5cj5 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycolicibacterium
thermoresistibile) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		4 ASN A 578
GLU A 571
GLU A 533
TYR A 230
 None
 1.03A 4twdG-5cj5A:
0.9
4twdH-5cj5A:
undetectable		 4twdG-5cj5A:
17.08
4twdH-5cj5A:
17.08
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.
5coz UNCHARACTERIZED
PROTEIN

([Eubacterium]
rectale) 		no annotation 4 GLU A 323
GLU A 211
TYR A 213
PHE A 238
 None
 1.44A 4twdG-5cozA:
undetectable
4twdH-5cozA:
undetectable		 4twdG-5cozA:
20.05
4twdH-5cozA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fzo PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		4 ASN A2470
GLU A2243
TYR A2348
PHE A2242
 None
 1.17A 4twdG-5fzoA:
undetectable
4twdH-5fzoA:
undetectable		 4twdG-5fzoA:
22.22
4twdH-5fzoA:
22.22
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.
5gv1 ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		4 ASN A 186
GLU A 142
GLU A 244
TYR A 119
 None
 1.27A 4twdG-5gv1A:
undetectable
4twdH-5gv1A:
undetectable		 4twdG-5gv1A:
24.16
4twdH-5gv1A:
24.16
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.
5id6 CPF1

(Lachnospiraceae
bacterium
ND2006) 		no annotation 4 TYR A 995
ASN A 928
GLU A 947
PHE A 980
 None
 1.38A 4twdG-5id6A:
undetectable
4twdH-5id6A:
undetectable		 4twdG-5id6A:
13.41
4twdH-5id6A:
13.41
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.
5jk7 PROTEIN VPRBP
URACIL-DNA
GLYCOSYLASE

(Homo sapiens) 		PF03167
(UDG)
no annotation 		4 TYR C1131
ASN C1132
GLU C1127
TYR D 116
 None
 1.45A 4twdG-5jk7C:
undetectable
4twdH-5jk7C:
undetectable		 4twdG-5jk7C:
21.33
4twdH-5jk7C:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		4 TYR A 256
ASN A 253
GLU A 260
PHE A  26
 None
 1.08A 4twdG-5l94A:
undetectable
4twdH-5l94A:
undetectable		 4twdG-5l94A:
22.20
4twdH-5l94A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6u BETA-MANNOSIDASE

(Dictyoglomus
thermophilum) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		4 ASN A 806
GLU A 720
TYR A 778
PHE A 703
 None
 1.36A 4twdG-5n6uA:
undetectable
4twdH-5n6uA:
undetectable		 4twdG-5n6uA:
17.21
4twdH-5n6uA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 TYR A1076
ASN A1009
GLU A1028
PHE A1061
 None
 1.24A 4twdG-5ng6A:
undetectable
4twdH-5ng6A:
undetectable		 4twdG-5ng6A:
12.66
4twdH-5ng6A:
12.66
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.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 4 TYR A 295
ASN A 330
GLU A 335
TYR A 252
 None
 1.36A 4twdG-5nxnA:
undetectable
4twdH-5nxnA:
undetectable		 4twdG-5nxnA:
13.31
4twdH-5nxnA:
13.31
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.
5ofu FBP PROTEIN

(Leishmania
major) 		PF00316
(FBPase) 		4 TYR A 244
GLU A 327
TYR A 235
PHE A 334
 None
 1.46A 4twdG-5ofuA:
undetectable
4twdH-5ofuA:
undetectable		 4twdG-5ofuA:
23.28
4twdH-5ofuA:
23.28
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.
5u9o PLASTID DIVISION
PROTEIN CDP1,
CHLOROPLASTIC,PLASTI
D DIVISION PROTEIN
PDV1

(Arabidopsis
thaliana) 		no annotation 4 TYR A 794
GLU A 775
GLU A 701
TYR A 798
 None
 1.20A 4twdG-5u9oA:
undetectable
4twdH-5u9oA:
undetectable		 4twdG-5u9oA:
13.36
4twdH-5u9oA:
13.36
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.
5us8 ARGININOSUCCINATE
SYNTHASE

(Bordetella
pertussis) 		PF00764
(Arginosuc_synth) 		4 TYR A 332
ASN A 101
GLU A 280
GLU A 203
 None
 1.45A 4twdG-5us8A:
undetectable
4twdH-5us8A:
undetectable		 4twdG-5us8A:
22.32
4twdH-5us8A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vbc PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ATXR5

(Ricinus
communis) 		PF00856
(SET) 		4 TYR A 361
ASN A 319
GLU A 250
TYR A 358
 SAH  A 401 (-4.9A)
None
SAH  A 401 (-4.2A)
None
 1.18A 4twdG-5vbcA:
undetectable
4twdH-5vbcA:
undetectable		 4twdG-5vbcA:
19.43
4twdH-5vbcA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6o DEATH
DOMAIN-ASSOCIATED
PROTEIN
6,TRANSCRIPTIONAL
REGULATOR ATRX

(Homo sapiens) 		no annotation 4 GLU A  72
GLU A  68
TYR A  89
PHE A  67
 None
 1.23A 4twdG-5y6oA:
undetectable
4twdH-5y6oA:
undetectable		 4twdG-5y6oA:
17.14
4twdH-5y6oA:
17.14
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.
5yhb POLYHEDRIN

(Cypovirus 1) 		no annotation 4 TYR A 165
ASN A 237
GLU A 217
TYR A 232
 None
 1.44A 4twdG-5yhbA:
undetectable
4twdH-5yhbA:
undetectable		 4twdG-5yhbA:
21.71
4twdH-5yhbA:
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.
5zib -

(-) 		no annotation 4 TYR A 602
GLU A 606
TYR A 566
PHE A 607
 None
 1.38A 4twdG-5zibA:
undetectable
4twdH-5zibA:
undetectable		 4twdG-5zibA:
undetectable
4twdH-5zibA:
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.
6f6e RIBONUCLEOTIDE
REDUCTASE SMALL
SUBUNIT

(Geobacillus
kaustophilus) 		no annotation 4 TYR A 162
ASN A 163
GLU A 102
PHE A  94
 PLM  A 404 (-4.3A)
None
FE2  A 401 (-2.5A)
None
 1.47A 4twdG-6f6eA:
0.6
4twdH-6f6eA:
1.3		 4twdG-6f6eA:
11.37
4twdH-6f6eA:
11.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4

(Streptoalloteichus
tenebrarius) 		no annotation 4 TYR B 227
ASN B 201
GLU B 174
PHE B 168
 None
 1.49A 4twdG-6fd2B:
undetectable
4twdH-6fd2B:
undetectable		 4twdG-6fd2B:
15.02
4twdH-6fd2B:
15.02
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.
6gui -

(-) 		no annotation 4 ASN A 124
GLU A 142
TYR A  50
PHE A 165
 None
 1.47A 4twdG-6guiA:
undetectable
4twdH-6guiA:
undetectable		 4twdG-6guiA:
undetectable
4twdH-6guiA:
undetectable