SIMILAR PATTERNS OF AMINO ACIDS FOR 4FFW_A_715A801_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b6r PROTEIN
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF02222
(ATP-grasp) 		5 ARG A 190
GLY A 187
SER A 288
VAL A 309
VAL A 315
 None
 1.32A 4ffwA-1b6rA:
undetectable		 4ffwA-1b6rA:
16.85
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.
1iq7 OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 ARG A 575
GLY A 573
ARG A 474
VAL A 545
VAL A 578
 None
 1.35A 4ffwA-1iq7A:
undetectable		 4ffwA-1iq7A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kol FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A  54
GLU A 265
GLY A  55
VAL A 282
VAL A 262
 None
None
None
NAD  A1403 (-4.7A)
NAD  A1403 (-3.6A)
 1.43A 4ffwA-1kolA:
undetectable		 4ffwA-1kolA:
20.30
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.
1kol FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 195
SER A 285
VAL A 289
TYR A 190
HIS A 269
 NAD  A1403 (-3.4A)
None
None
None
SO4  A1003 ( 3.9A)
 1.28A 4ffwA-1kolA:
undetectable		 4ffwA-1kolA:
20.30
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		6 GLU A 396
SER A 348
TYR A 380
ASN A 470
VAL A 471
HIS A 498
 None
 0.53A 4ffwA-1lnsA:
8.2		 4ffwA-1lnsA:
21.49
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		6 TYR A 210
SER A 348
TYR A 380
ASN A 470
VAL A 471
HIS A 498
 None
 0.68A 4ffwA-1lnsA:
8.2		 4ffwA-1lnsA:
21.49
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.
1lvw GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Methanothermobacter
thermautotrophicus) 		PF00483
(NTP_transferase) 		5 GLY A 134
VAL A 180
TYR A 176
ASN A 201
VAL A 200
 None
None
None
CL  A4001 (-4.3A)
None
 1.41A 4ffwA-1lvwA:
undetectable		 4ffwA-1lvwA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qvb BETA-GLYCOSIDASE

(Thermosphaera
aggregans) 		PF00232
(Glyco_hydro_1) 		5 GLY A 441
ARG A 455
VAL A 408
TYR A 421
VAL A 384
 None
 1.42A 4ffwA-1qvbA:
undetectable		 4ffwA-1qvbA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qvb BETA-GLYCOSIDASE

(Thermosphaera
aggregans) 		PF00232
(Glyco_hydro_1) 		5 GLY A 441
VAL A 408
TYR A 421
ASN A 387
HIS A 404
 None
 1.45A 4ffwA-1qvbA:
undetectable		 4ffwA-1qvbA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.45A 4ffwA-1t3qB:
undetectable		 4ffwA-1t3qB:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tr1 BETA-GLUCOSIDASE A

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		5 GLY A 415
VAL A 382
TYR A 395
ASN A 353
HIS A 378
 None
 1.45A 4ffwA-1tr1A:
undetectable		 4ffwA-1tr1A:
20.08
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.
1u8x MALTOSE-6'-PHOSPHATE
GLUCOSIDASE

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY X  14
TYR X 120
SER X 124
VAL X 154
VAL X 128
 NAD  X 900 (-3.4A)
None
None
None
None
 1.26A 4ffwA-1u8xX:
undetectable		 4ffwA-1u8xX:
19.84
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.
1uou THYMIDINE
PHOSPHORYLASE

(Homo sapiens) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ARG A  48
GLU A  87
GLY A  47
ARG A  81
VAL A 258
 None
 1.29A 4ffwA-1uouA:
2.3		 4ffwA-1uouA:
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.
1vff BETA-GLUCOSIDASE

(Pyrococcus
horikoshii) 		PF00232
(Glyco_hydro_1) 		5 GLY A 379
VAL A 346
TYR A 359
ASN A 325
HIS A 342
 None
 1.42A 4ffwA-1vffA:
undetectable		 4ffwA-1vffA:
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.
1wxd SHIKIMATE
5-DEHYDROGENASE

(Thermus
thermophilus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 103
SER A  14
VAL A  11
ASN A  58
VAL A   6
 None
 1.47A 4ffwA-1wxdA:
undetectable		 4ffwA-1wxdA:
16.64
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.
1yle ARGININE
N-SUCCINYLTRANSFERAS
E, ALPHA CHAIN

(Pseudomonas
aeruginosa) 		PF04958
(AstA) 		5 ARG A 242
GLU A 139
GLY A 339
ARG A 288
VAL A 133
 None
 1.45A 4ffwA-1yleA:
undetectable		 4ffwA-1yleA:
17.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		10 ARG A 123
GLU A 203
GLU A 204
TYR A 541
SER A 624
VAL A 650
TYR A 656
ASN A 704
VAL A 705
HIS A 734
 None
 0.50A 4ffwA-1z68A:
49.1		 4ffwA-1z68A:
54.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 ARG A 125
GLU A 205
GLU A 206
ARG A 358
TYR A 547
SER A 630
VAL A 656
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 ( 4.0A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.56A 4ffwA-2bucA:
52.0		 4ffwA-2bucA:
81.92
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 TYR A 518
SER A 603
VAL A 629
TYR A 635
VAL A 681
HIS A 710
 None
 0.40A 4ffwA-2d5lA:
31.7		 4ffwA-2d5lA:
27.39
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.
2e67 HYPOTHETICAL PROTEIN
TTHB029

(Thermus
thermophilus) 		PF04794
(YdjC) 		5 GLU A 107
GLY A  78
ARG A 100
VAL A  59
VAL A  44
 None
 1.41A 4ffwA-2e67A:
undetectable		 4ffwA-2e67A:
14.69
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		8 GLU A 207
TYR A 524
SER A 610
VAL A 636
TYR A 642
ASN A 687
VAL A 688
HIS A 717
 None
 0.64A 4ffwA-2ecfA:
34.9		 4ffwA-2ecfA:
28.10
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.
2eja UROPORPHYRINOGEN
DECARBOXYLASE

(Aquifex
aeolicus) 		PF01208
(URO-D) 		5 GLY A  84
SER A  74
TYR A 116
ASN A 114
VAL A 117
 None
 1.29A 4ffwA-2ejaA:
undetectable		 4ffwA-2ejaA:
19.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 ARG A 125
GLU A 205
GLU A 206
ARG A 358
TYR A 547
SER A 630
VAL A 656
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 ACF  A 800 (-3.4A)
ACF  A 800 (-3.6A)
ACF  A 800 (-3.2A)
None
ACF  A 800 (-4.5A)
ACF  A 800 (-1.3A)
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
None
None
 0.36A 4ffwA-2g5tA:
53.1		 4ffwA-2g5tA:
84.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00534
(Glycos_transf_1) 		5 GLY A  38
SER A 269
VAL A 273
TYR A 162
VAL A 157
 MES  A1353 ( 3.7A)
None
None
None
None
 1.36A 4ffwA-2iuyA:
3.1		 4ffwA-2iuyA:
18.49
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.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00534
(Glycos_transf_1) 		5 SER A 269
VAL A 273
TYR A 162
ASN A  48
VAL A 157
 None
 1.19A 4ffwA-2iuyA:
3.1		 4ffwA-2iuyA:
18.49
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.
2j3t TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 1

(Mus musculus) 		PF04099
(Sybindin) 		5 GLU C  34
GLY C  28
TYR C  69
VAL C  83
TYR C   7
 None
 1.42A 4ffwA-2j3tC:
undetectable		 4ffwA-2j3tC:
11.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		12 ARG A 123
GLU A 203
GLU A 204
GLY A 207
ARG A 356
TYR A 548
SER A 631
VAL A 657
TYR A 663
ASN A 711
VAL A 712
HIS A 741
 SO4  A 801 ( 3.1A)
AIL  A 901 (-3.8A)
AIL  A 901 (-2.9A)
AIL  A 901 ( 4.1A)
AIL  A 901 ( 4.7A)
SO4  A 801 (-4.3A)
AIL  A 901 ( 2.8A)
None
AIL  A 901 (-4.3A)
AIL  A 901 (-3.1A)
AIL  A 901 (-4.9A)
SO4  A 801 (-4.1A)
 0.44A 4ffwA-2oaeA:
52.2		 4ffwA-2oaeA:
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLU A 213
GLY A 370
TYR A 403
ASN A 154
VAL A 155
 None
 1.43A 4ffwA-2pa6A:
undetectable		 4ffwA-2pa6A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qri H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN K-B ALPHA
CHAIN, BETA-2
MICROGLOBULIN,
OVALBUMIN-DERIVED
PEPTIDE

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ARG A 155
GLU A 152
GLY A 151
SER A  99
TYR A 116
 None
 1.42A 4ffwA-2qriA:
undetectable		 4ffwA-2qriA:
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.
2yd3 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF07679
(I-set) 		5 GLY A 203
TYR A 217
SER A  51
VAL A  53
VAL A  90
 None
None
None
NA  A1229 (-4.5A)
None
 1.19A 4ffwA-2yd3A:
undetectable		 4ffwA-2yd3A:
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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		5 GLY A 112
TYR A  34
VAL A  67
VAL A 212
HIS A 214
 None
None
None
None
FE  A 302 (-3.4A)
 1.37A 4ffwA-3aalA:
undetectable		 4ffwA-3aalA:
16.73
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.
3aq1 THERMOSOME SUBUNIT

(Methanococcoides
burtonii) 		PF00118
(Cpn60_TCP1) 		5 GLU B 341
GLY B 347
VAL B 279
TYR B 300
VAL B 339
 None
 1.23A 4ffwA-3aq1B:
2.3		 4ffwA-3aq1B:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bo6 HYDROPHILIC PROTEIN,
VIRA PROTEIN

(Chromobacterium
violaceum) 		PF03536
(VRP3) 		5 ARG A 217
GLU A 233
TYR A 168
TYR A 212
ASN A 214
 None
 1.45A 4ffwA-3bo6A:
undetectable		 4ffwA-3bo6A:
13.97
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.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		5 GLY A 251
ARG A 282
VAL A 324
TYR A 298
HIS A 292
 None
None
None
None
FE2  A 500 (-3.5A)
 1.30A 4ffwA-3bu7A:
undetectable		 4ffwA-3bu7A:
19.95
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		6 ARG A 252
TYR A 473
SER A 554
VAL A 580
VAL A 644
HIS A 680
 None
ACT  A 801 (-4.5A)
ACT  A 801 ( 2.6A)
None
None
ACT  A 801 (-3.8A)
 1.00A 4ffwA-3dduA:
14.5		 4ffwA-3dduA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 ARG A 151
SER A  94
VAL A 121
VAL A 225
HIS A 251
 None
EEE  A 300 (-1.4A)
None
None
EEE  A 300 (-4.3A)
 1.29A 4ffwA-3heaA:
15.9		 4ffwA-3heaA:
16.51
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 ARG A1036
GLU A1026
GLY A1031
VAL A1021
ASN A1594
 None
 1.33A 4ffwA-3hmjA:
3.7		 4ffwA-3hmjA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00498
(FHA) 		5 GLU A 219
VAL A 246
TYR A 220
ASN A 290
VAL A 300
 None
 1.17A 4ffwA-3i6uA:
3.4		 4ffwA-3i6uA:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus) 		PF00329
(Complex1_30kDa) 		5 GLU 5 115
GLY 5 128
VAL 5  90
TYR 5  72
VAL 5  92
 None
 1.26A 4ffwA-3i9v5:
undetectable		 4ffwA-3i9v5:
14.99
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.
3iee PUTATIVE EXPORTED
PROTEIN

(Bacteroides
fragilis) 		no annotation 5 ARG A 264
SER A 153
VAL A  57
ASN A  63
VAL A  62
 None
EDO  A 302 (-2.8A)
None
EDO  A 302 (-3.5A)
EDO  A 302 (-4.3A)
 1.37A 4ffwA-3ieeA:
undetectable		 4ffwA-3ieeA:
18.22
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.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		5 ARG A 425
ARG A 505
SER A 439
VAL A 431
HIS A 428
 None
 1.16A 4ffwA-3ihgA:
2.1		 4ffwA-3ihgA:
22.74
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.
3imf SHORT CHAIN
DEHYDROGENASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 TYR A 142
SER A 153
VAL A 111
VAL A 107
HIS A 152
 None
 1.37A 4ffwA-3imfA:
4.5		 4ffwA-3imfA:
16.39
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.
3ioq CMS1MS2

(Vasconcellea
cundinamarcensis) 		PF00112
(Peptidase_C1) 		5 ARG A 188
GLY A 146
ARG A 145
VAL A  13
VAL A 164
 None
None
EDO  A 502 ( 4.4A)
None
None
 1.39A 4ffwA-3ioqA:
undetectable		 4ffwA-3ioqA:
14.09
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.
3ju5 ARGININE KINASE

(Apostichopus
japonicus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ARG A 245
GLU A 241
SER A 229
VAL A 121
VAL A 239
 None
 1.44A 4ffwA-3ju5A:
undetectable		 4ffwA-3ju5A:
20.09
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 ARG A1381
GLU A1378
GLY A1380
VAL A1350
TYR A1326
 None
 1.32A 4ffwA-3mmpA:
4.1		 4ffwA-3mmpA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 TYR A 458
SER A 538
VAL A 564
VAL A 625
HIS A 657
 ZPR  A 701 (-4.4A)
ZPR  A 701 (-1.2A)
None
ZPR  A 701 (-4.9A)
ZPR  A 702 (-4.0A)
 0.44A 4ffwA-3muoA:
25.6		 4ffwA-3muoA:
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.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 GLY A 317
VAL A 295
TYR A 275
ASN A 251
VAL A 298
 None
None
LWY  A 427 ( 4.7A)
None
None
 1.20A 4ffwA-3n2cA:
undetectable		 4ffwA-3n2cA:
21.67
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.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		5 ARG A 131
GLU A 134
ARG A  32
VAL A 187
VAL A 160
 None
 1.47A 4ffwA-3p8tA:
undetectable		 4ffwA-3p8tA:
18.88
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.
3pxh RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE F

(Mus musculus) 		PF07679
(I-set) 		5 GLY A 203
TYR A 217
SER A  51
VAL A  53
VAL A  90
 None
 1.26A 4ffwA-3pxhA:
undetectable		 4ffwA-3pxhA:
13.97
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.
3w53 BETA-GLUCOSIDASE

(Micrococcus
antarcticus) 		PF00232
(Glyco_hydro_1) 		5 GLY A 441
VAL A 408
TYR A 421
ASN A 378
HIS A 404
 None
 1.45A 4ffwA-3w53A:
undetectable		 4ffwA-3w53A:
20.19
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.
3w9u PUTATIVE LIPASE

(Proteus
mirabilis) 		PF00561
(Abhydrolase_1) 		5 GLY A 137
SER A  79
VAL A 105
VAL A 235
HIS A 254
 None
 0.99A 4ffwA-3w9uA:
6.2		 4ffwA-3w9uA:
17.27
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 ARG A 354
GLY A 339
SER A 311
VAL A 207
TYR A  45
 None
 1.21A 4ffwA-3wy7A:
undetectable		 4ffwA-3wy7A:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 GLU A 171
GLU A 170
GLY A 173
ARG A 101
VAL A 348
 None
 1.35A 4ffwA-4dwqA:
undetectable		 4ffwA-4dwqA:
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.
4ho4 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Aneurinibacillus
thermoaerophilus) 		PF00483
(NTP_transferase) 		5 GLY A 134
VAL A 180
TYR A 176
ASN A 201
VAL A 200
 None
 1.45A 4ffwA-4ho4A:
undetectable		 4ffwA-4ho4A:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iil MEMBRANE LIPOPROTEIN
TPN38(B)

(Treponema
pallidum) 		PF02608
(Bmp) 		5 GLY A 220
ARG A 200
SER A 132
VAL A 135
VAL A 248
 None
 1.44A 4ffwA-4iilA:
2.5		 4ffwA-4iilA:
17.33
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.
4iv6 ACYL-COA
DEHYDROGENASE FADE3

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLU A 362
ARG A 242
SER A 207
VAL A 205
TYR A 202
 FDA  A 401 ( 4.8A)
None
FDA  A 401 ( 3.7A)
None
None
 1.46A 4ffwA-4iv6A:
undetectable		 4ffwA-4iv6A:
19.62
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.
4j73 COATOMER SUBUNIT
BETA'

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 GLY A 269
ARG A  12
SER A 245
VAL A 231
HIS A 227
 None
 1.44A 4ffwA-4j73A:
5.0		 4ffwA-4j73A:
16.99
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.
4jxr ACETYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF13420
(Acetyltransf_4) 		5 ARG A 110
GLU A 106
GLY A 109
ARG A 163
VAL A  57
 None
 1.39A 4ffwA-4jxrA:
undetectable		 4ffwA-4jxrA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ldc DOUBLE C2-LIKE
DOMAIN-CONTAINING
PROTEIN BETA

(Rattus
norvegicus) 		PF00168
(C2) 		5 GLU A 352
GLY A 369
ARG A 380
TYR A 339
SER A 318
 None
 1.14A 4ffwA-4ldcA:
undetectable		 4ffwA-4ldcA:
11.29
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.
4mks ENOLASE 2

(Lactobacillus
gasseri) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLU A 205
GLY A 370
TYR A 403
ASN A 148
VAL A 149
 None
None
None
CL  A 501 ( 4.5A)
None
 1.44A 4ffwA-4mksA:
undetectable		 4ffwA-4mksA:
19.73
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.
4pbv PROTEIN-TYROSINE
PHOSPHATASE
CRYPALPHA1 ISOFORM

(Gallus gallus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 GLY C 202
TYR C 216
SER C  50
VAL C  52
VAL C  89
 None
 1.34A 4ffwA-4pbvC:
undetectable		 4ffwA-4pbvC:
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.
4pbx RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF00041
(fn3)
PF07679
(I-set) 		5 GLY A 203
TYR A 217
SER A  51
VAL A  53
VAL A  90
 None
 1.17A 4ffwA-4pbxA:
undetectable		 4ffwA-4pbxA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pxn UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00171
(Aldedh) 		5 GLU A 477
GLY A 467
VAL A 159
TYR A 486
ASN A 175
 NAD  A 601 ( 4.8A)
None
None
None
None
 1.11A 4ffwA-4pxnA:
undetectable		 4ffwA-4pxnA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TYR A 518
SER A 603
VAL A 629
TYR A 635
HIS A 710
 PEG  A 801 ( 4.0A)
None
None
None
None
 0.35A 4ffwA-4q1vA:
35.5		 4ffwA-4q1vA:
27.31
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.
4tvv TYROSINE PHOSPHATASE
II SUPERFAMILY
PROTEIN

(Legionella
pneumophila) 		PF14566
(PTPlike_phytase) 		5 ARG A 237
GLY A 236
VAL A  39
ASN A 128
VAL A 124
 PO4  A 402 (-3.8A)
PO4  A 401 ( 3.4A)
None
None
None
 1.20A 4ffwA-4tvvA:
undetectable		 4ffwA-4tvvA:
18.45
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.
4tvv TYROSINE PHOSPHATASE
II SUPERFAMILY
PROTEIN

(Legionella
pneumophila) 		PF14566
(PTPlike_phytase) 		5 TYR A 115
VAL A 188
TYR A 195
VAL A 105
HIS A 230
 None
 1.36A 4ffwA-4tvvA:
undetectable		 4ffwA-4tvvA:
18.45
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.
4w82 FATTY ACID SYNTHASE

(Homo sapiens) 		PF00107
(ADH_zinc_N) 		5 GLU A1768
SER A1756
ASN A1746
VAL A1744
HIS A1674
 None
 1.43A 4ffwA-4w82A:
undetectable		 4ffwA-4w82A:
18.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 233
GLU A 234
TYR A 683
VAL A 730
HIS A 759
 None
 0.72A 4ffwA-4wjlA:
40.5		 4ffwA-4wjlA:
38.34
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.
4x00 PUTATIVE HYDROLASE

(Burkholderia
cenocepacia) 		PF12697
(Abhydrolase_6) 		5 GLY A 168
SER A 112
VAL A 139
VAL A 233
HIS A 259
 None
GOL  A 308 (-3.5A)
None
None
GOL  A 308 ( 4.5A)
 0.87A 4ffwA-4x00A:
15.4		 4ffwA-4x00A:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		5 SER A 104
VAL A 130
TYR A 134
VAL A 250
HIS A 275
 None
 0.77A 4ffwA-4y7dA:
5.4		 4ffwA-4y7dA:
17.49
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.
4ycz FUSION PROTEIN OF
SEC13 AND NUP145C

(Thermothelomyces
thermophila) 		PF00400
(WD40)
PF12110
(Nup96) 		5 GLU A 294
GLY A 298
SER A 226
VAL A 229
ASN A 278
 None
 1.46A 4ffwA-4yczA:
6.9		 4ffwA-4yczA:
22.52
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 GLU A 779
GLY A 827
ARG A 854
VAL A1028
VAL A 774
 None
None
ADP  A1103 (-3.0A)
None
None
 1.44A 4ffwA-5b7iA:
undetectable		 4ffwA-5b7iA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dt5 BETA-GLUCOSIDASE

(Exiguobacterium
antarcticum) 		PF00232
(Glyco_hydro_1) 		5 GLY A 413
VAL A 380
TYR A 393
ASN A 351
HIS A 376
 None
 1.37A 4ffwA-5dt5A:
undetectable		 4ffwA-5dt5A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fsy MACRODOMAIN

(Trypanosoma
brucei) 		PF01661
(Macro) 		5 ARG A 124
GLY A 152
ARG A 159
VAL A 213
TYR A 214
 None
None
None
AR6  A1262 (-3.7A)
AR6  A1262 (-3.5A)
 1.44A 4ffwA-5fsyA:
undetectable		 4ffwA-5fsyA:
17.24
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.
5gha SULFUR CARRIER TTUB
SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3)
no annotation 		5 GLU E  33
GLY A 246
TYR A  26
SER A 208
VAL E  36
 None
None
None
None
EDO  E 101 (-4.1A)
 1.37A 4ffwA-5ghaE:
undetectable		 4ffwA-5ghaE:
8.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gvv GLYCOSYL TRANSFERASE
FAMILY 8

(Streptococcus
pneumoniae) 		PF01501
(Glyco_transf_8) 		5 ARG A 353
VAL A 340
TYR A 346
ASN A 282
VAL A 281
 None
 0.98A 4ffwA-5gvvA:
2.4		 4ffwA-5gvvA:
19.30
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.
5gvv GLYCOSYL TRANSFERASE
FAMILY 8

(Streptococcus
pneumoniae) 		PF01501
(Glyco_transf_8) 		5 TYR A 309
VAL A 340
TYR A 346
ASN A 282
VAL A 281
 None
 1.06A 4ffwA-5gvvA:
2.4		 4ffwA-5gvvA:
19.30
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.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 ARG A 164
GLY A 160
SER A 311
VAL A 264
VAL A 189
 None
 1.34A 4ffwA-5h3aA:
undetectable		 4ffwA-5h3aA:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 ARG A 916
GLU A 917
GLY A 915
TYR A 969
SER A1005
 G1P  A1201 ( 4.0A)
G1P  A1201 (-3.6A)
None
None
G1P  A1201 (-2.5A)
 1.23A 4ffwA-5h42A:
undetectable		 4ffwA-5h42A:
22.12
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.
5hha PVDO

(Pseudomonas
aeruginosa) 		PF03781
(FGE-sulfatase) 		5 ARG A 264
GLU A 152
GLY A 262
ARG A 160
HIS A 224
 None
 1.00A 4ffwA-5hhaA:
undetectable		 4ffwA-5hhaA:
17.91
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.
5j72 PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE
AMIDASE,AUTOLYSIN
CWP6

(Clostridioides
difficile) 		PF01520
(Amidase_3)
PF04122
(CW_binding_2) 		5 ARG A 584
GLU A 551
GLY A 585
SER A 543
ASN A 541
 None
 1.45A 4ffwA-5j72A:
3.0		 4ffwA-5j72A:
22.28
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 GLU A1077
GLY A1076
SER A1245
VAL A1271
ASN A1188
 None
 1.24A 4ffwA-5jbeA:
undetectable		 4ffwA-5jbeA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jow NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43A

(Bacteroides
ovatus) 		PF04616
(Glyco_hydro_43) 		5 GLY A 304
VAL A  66
TYR A  23
ASN A  25
VAL A  27
 None
 1.34A 4ffwA-5jowA:
2.1		 4ffwA-5jowA:
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 586
SER A 646
VAL A 648
TYR A 657
ASN A 636
 None
 1.42A 4ffwA-5k6oA:
undetectable		 4ffwA-5k6oA:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 ARG A 115
GLU A 195
GLU A 196
GLY A 198
TYR A 511
SER A 593
VAL A 619
TYR A 625
ASN A 670
VAL A 671
HIS A 700
 GOL  A 801 ( 4.4A)
GOL  A 801 ( 4.6A)
None
None
GOL  A 801 (-4.4A)
GOL  A 801 (-2.5A)
None
GOL  A 801 (-4.5A)
GOL  A 801 ( 3.6A)
None
None
 0.57A 4ffwA-5oljA:
39.2		 4ffwA-5oljA:
32.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 GLU A 196
GLY A 198
TYR A 511
SER A 593
VAL A 619
VAL A 671
 None
None
GOL  A 801 (-4.4A)
GOL  A 801 (-2.5A)
None
None
 1.29A 4ffwA-5oljA:
39.2		 4ffwA-5oljA:
32.00
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.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		no annotation 5 GLY A 629
VAL A 277
TYR A 307
VAL A 309
HIS A 334
 None
 1.20A 4ffwA-5xb7A:
3.1		 4ffwA-5xb7A:
21.91
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.
5xmd EPOXIDE HYDROLASE A

(Vigna radiata) 		no annotation 5 ARG A  53
GLU A  20
GLU A   5
GLY A  22
VAL A   9
 None
 0.97A 4ffwA-5xmdA:
5.3		 4ffwA-5xmdA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 9 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
ASN A 691
VAL A 692
 ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
 0.86A 4ffwA-5yp3A:
35.5		 4ffwA-5yp3A:
7.88
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 9 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
ASN A 691
VAL A 692
HIS A 721
 ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
 0.47A 4ffwA-5yp3A:
35.5		 4ffwA-5yp3A:
7.88
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 5 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
 ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
 1.13A 4ffwA-5yp3A:
35.5		 4ffwA-5yp3A:
7.88
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.
6c4n PSEUDOPALINE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A  17
SER A 196
VAL A 198
TYR A 151
VAL A 170
 NAP  A 501 (-3.3A)
None
None
None
None
 1.37A 4ffwA-6c4nA:
undetectable		 4ffwA-6c4nA:
8.90
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 5 ARG A 679
GLU A 597
ARG A 556
VAL A 712
TYR A 707
 None
 1.46A 4ffwA-6cg0A:
undetectable		 4ffwA-6cg0A:
8.79
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.
6dux 6-PHOSPHO-ALPHA-GLUC
OSIDASE

(Klebsiella
pneumoniae) 		no annotation 5 GLY A  12
TYR A 118
SER A 122
VAL A 152
VAL A 126
 NAD  A 501 (-3.2A)
NAD  A 501 (-4.6A)
None
None
None
 1.25A 4ffwA-6duxA:
undetectable		 4ffwA-6duxA:
8.04
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.
6dzs HOMOSERINE
DEHYDROGENASE

(Mycolicibacterium
hassiacum) 		no annotation 5 GLU A 436
GLY A 437
ARG A 300
SER A 267
VAL A 225
 None
 1.41A 4ffwA-6dzsA:
4.3		 4ffwA-6dzsA:
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 5 GLU A 249
TYR A 644
SER A 730
TYR A 762
VAL A 811
 None
 1.11A 4ffwA-6eoqA:
24.6		 4ffwA-6eoqA:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 8 GLU A 249
TYR A 644
SER A 730
VAL A 756
TYR A 762
ASN A 810
VAL A 811
HIS A 840
 None
 0.60A 4ffwA-6eoqA:
24.6		 4ffwA-6eoqA:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 10 ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
VAL A 781
TYR A 787
ASN A 835
VAL A 836
HIS A 865
 None
 0.71A 4ffwA-6eotA:
30.9		 4ffwA-6eotA:
8.72
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 GLU A 275
TYR A 669
SER A 755
VAL A 781
TYR A 787
 None
 1.16A 4ffwA-6eotA:
30.9		 4ffwA-6eotA:
8.72
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.
6f0k ACTD
FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 GLU B 874
GLY D 107
VAL B 911
ASN B 890
HIS B 867
 None
None
None
SF4  B1102 (-3.7A)
None
 1.45A 4ffwA-6f0kB:
undetectable		 4ffwA-6f0kB:
7.74