SIMILAR PATTERNS OF AMINO ACIDS FOR 2XZ5_C_ACHC1211_0

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.
1cb8 PROTEIN
(CHONDROITINASE AC)

(Pedobacter
heparinus) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 THR A 367
GLN A 430
ASP A 347
SER A 364
 None
 1.23A 2xz5A-1cb8A:
0.0
2xz5C-1cb8A:
0.0		 2xz5A-1cb8A:
16.79
2xz5C-1cb8A:
16.79
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.
1cf0 PROTEIN (PROFILIN)

(Homo sapiens) 		PF00235
(Profilin) 		4 THR A 101
ASP A  86
SER A  84
TYR A 128
 None
 1.12A 2xz5A-1cf0A:
0.0
2xz5C-1cf0A:
0.0		 2xz5A-1cf0A:
20.09
2xz5C-1cf0A:
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.
1ck7 PROTEIN (GELATINASE
A)

(Homo sapiens) 		PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 THR A 339
SER A 344
TYR A 381
TRP A 374
 None
 1.33A 2xz5A-1ck7A:
0.0
2xz5C-1ck7A:
0.0		 2xz5A-1ck7A:
15.12
2xz5C-1ck7A:
15.12
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.
1jne IMAGINAL DISC GROWTH
FACTOR-2

(Drosophila
melanogaster) 		PF00704
(Glyco_hydro_18) 		4 ASP A  58
SER A  10
TYR A   7
TYR A  40
 None
 0.88A 2xz5A-1jneA:
0.0
2xz5C-1jneA:
0.0		 2xz5A-1jneA:
20.00
2xz5C-1jneA:
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.
1k6y INTEGRASE

(Human
immunodeficiency
virus 1) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 THR A 115
GLN A 137
ASP A 116
CYH A  65
 None
 1.30A 2xz5A-1k6yA:
0.0
2xz5C-1k6yA:
0.0		 2xz5A-1k6yA:
19.31
2xz5C-1k6yA:
19.31
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.
1kk0 EIF2GAMMA

(Pyrococcus
abyssi) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		4 THR A  79
SER A  67
TYR A  74
CYH A  63
 None
None
None
ZN  A 411 (-2.2A)
 1.39A 2xz5A-1kk0A:
0.0
2xz5C-1kk0A:
0.0		 2xz5A-1kk0A:
19.75
2xz5C-1kk0A:
19.75
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.
1ldk CULLIN HOMOLOG

(Homo sapiens) 		PF00888
(Cullin) 		4 ASP A 106
TYR A 126
TRP A 167
TYR A  99
 None
 1.28A 2xz5A-1ldkA:
undetectable
2xz5C-1ldkA:
undetectable		 2xz5A-1ldkA:
18.72
2xz5C-1ldkA:
18.72
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.
1m2w MANNITOL
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 THR A  25
GLN A  27
SER A  59
TYR A  81
 None
 1.35A 2xz5A-1m2wA:
0.0
2xz5C-1m2wA:
0.0		 2xz5A-1m2wA:
18.44
2xz5C-1m2wA:
18.44
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.
1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 THR A 667
GLN A 669
ASP A 689
SER A 687
 None
 0.94A 2xz5A-1nugA:
3.4
2xz5C-1nugA:
3.4		 2xz5A-1nugA:
18.10
2xz5C-1nugA:
18.10
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.
1pn3 GLYCOSYLTRANSFERASE
GTFA

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		4 THR A 195
ASP A 192
SER A 131
TYR A 173
 None
 1.42A 2xz5A-1pn3A:
0.0
2xz5C-1pn3A:
0.0		 2xz5A-1pn3A:
21.61
2xz5C-1pn3A:
21.61
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.
1qjm LACTOFERRIN

(Equus caballus) 		PF00405
(Transferrin) 		4 THR A 645
GLN A 415
TYR A 433
TYR A 526
 None
None
None
SM  A 691 (-3.7A)
 1.39A 2xz5A-1qjmA:
undetectable
2xz5C-1qjmA:
undetectable		 2xz5A-1qjmA:
14.51
2xz5C-1qjmA:
14.51
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.
1qyc PHENYLCOUMARAN
BENZYLIC ETHER
REDUCTASE PT1

(Pinus taeda) 		PF05368
(NmrA) 		4 GLN A 166
SER A 163
TYR A 159
CYH A 155
 None
 1.40A 2xz5A-1qycA:
undetectable
2xz5C-1qycA:
undetectable		 2xz5A-1qycA:
19.44
2xz5C-1qycA:
19.44
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.
1r6u TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		4 THR A  92
GLN A 347
ASP A  83
SER A  94
 None
 1.25A 2xz5A-1r6uA:
undetectable
2xz5C-1r6uA:
undetectable		 2xz5A-1r6uA:
18.85
2xz5C-1r6uA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t1u CHOLINE
O-ACETYLTRANSFERASE

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		4 ASP A 402
SER A 596
TYR A 435
CYH A 591
 None
 1.40A 2xz5A-1t1uA:
undetectable
2xz5C-1t1uA:
undetectable		 2xz5A-1t1uA:
16.51
2xz5C-1t1uA:
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.
1u0j DNA REPLICATION
PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF01057
(Parvo_NS1) 		4 GLN A 438
ASP A 443
TRP A 331
TYR A 485
 None
 1.12A 2xz5A-1u0jA:
undetectable
2xz5C-1u0jA:
undetectable		 2xz5A-1u0jA:
22.22
2xz5C-1u0jA:
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		4 THR A 295
GLN A 317
ASP A 260
SER A 316
 None
 1.40A 2xz5A-1xrsA:
undetectable
2xz5C-1xrsA:
undetectable		 2xz5A-1xrsA:
17.69
2xz5C-1xrsA:
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.
1zlp PETAL DEATH PROTEIN

(Dianthus
caryophyllus) 		PF13714
(PEP_mutase) 		4 ASP A 107
TYR A 262
TYR A  68
CYH A 144
 MG  A 401 (-2.7A)
None
GAQ  A 402 ( 4.4A)
GAQ  A 402 (-1.6A)
 1.24A 2xz5A-1zlpA:
undetectable
2xz5C-1zlpA:
undetectable		 2xz5A-1zlpA:
18.65
2xz5C-1zlpA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a7n L(+)-MANDELATE
DEHYDROGENASE

(Pseudomonas
putida;
Spinacia
oleracea) 		PF01070
(FMN_dh) 		4 THR A 277
GLN A 272
SER A 273
CYH A 242
 None
 1.34A 2xz5A-2a7nA:
undetectable
2xz5C-2a7nA:
undetectable		 2xz5A-2a7nA:
19.74
2xz5C-2a7nA:
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.
2cjl SECRETED CHITINASE

(Streptomyces
coelicolor) 		PF00182
(Glyco_hydro_19) 		4 THR A 159
GLN A 152
ASP A 162
TYR A  42
 None
 1.41A 2xz5A-2cjlA:
undetectable
2xz5C-2cjlA:
undetectable		 2xz5A-2cjlA:
21.78
2xz5C-2cjlA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dh3 4F2 CELL-SURFACE
ANTIGEN HEAVY CHAIN

(Homo sapiens) 		PF00128
(Alpha-amylase) 		4 THR A 314
TYR A 321
TRP A 332
TYR A 303
 None
 1.38A 2xz5A-2dh3A:
undetectable
2xz5C-2dh3A:
undetectable		 2xz5A-2dh3A:
19.46
2xz5C-2dh3A:
19.46
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		4 THR A 240
GLN A 242
SER A 243
TRP A 327
 None
 1.15A 2xz5A-2e0pA:
undetectable
2xz5C-2e0pA:
undetectable		 2xz5A-2e0pA:
18.51
2xz5C-2e0pA:
18.51
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		4 THR A 651
GLN A 648
TYR A 688
CYH A 655
 None
 1.25A 2xz5A-2g28A:
undetectable
2xz5C-2g28A:
undetectable		 2xz5A-2g28A:
15.48
2xz5C-2g28A:
15.48
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.
2g8g CAPSID

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 GLN A 706
ASP A 714
SER A 708
TYR A 703
 None
 1.41A 2xz5A-2g8gA:
undetectable
2xz5C-2g8gA:
undetectable		 2xz5A-2g8gA:
17.37
2xz5C-2g8gA:
17.37
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.
2gdq YITF

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLN A 264
ASP A 261
TYR A 228
CYH A 259
 None
 1.30A 2xz5A-2gdqA:
undetectable
2xz5C-2gdqA:
undetectable		 2xz5A-2gdqA:
20.42
2xz5C-2gdqA:
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.
2ill TITIN

(Homo sapiens) 		PF07679
(I-set) 		4 THR A  68
GLN A  17
ASP A  71
SER A  66
 None
 0.80A 2xz5A-2illA:
undetectable
2xz5C-2illA:
undetectable		 2xz5A-2illA:
19.82
2xz5C-2illA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 THR A 244
ASP A 254
SER A 187
TYR A 192
 PLP  A1494 ( 4.5A)
None
None
None
 1.36A 2xz5A-2jisA:
undetectable
2xz5C-2jisA:
undetectable		 2xz5A-2jisA:
17.67
2xz5C-2jisA:
17.67
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.
2jls SERINE PROTEASE
SUBUNIT NS3

(Dengue virus) 		PF07652
(Flavi_DEAD) 		4 THR A 407
SER A 411
TRP A 402
TYR A 394
 None
 0.99A 2xz5A-2jlsA:
undetectable
2xz5C-2jlsA:
undetectable		 2xz5A-2jlsA:
19.69
2xz5C-2jlsA:
19.69
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.
2pfv EXOCYST COMPLEX
COMPONENT EXO70

(Saccharomyces
cerevisiae) 		PF03081
(Exo70) 		4 THR A 341
SER A 305
TYR A 385
CYH A 389
 None
 1.17A 2xz5A-2pfvA:
undetectable
2xz5C-2pfvA:
undetectable		 2xz5A-2pfvA:
17.35
2xz5C-2pfvA:
17.35
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.
2ptz ENOLASE

(Trypanosoma
brucei) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 THR A 313
TYR A 294
TYR A 278
CYH A 279
 None
 1.18A 2xz5A-2ptzA:
undetectable
2xz5C-2ptzA:
undetectable		 2xz5A-2ptzA:
19.91
2xz5C-2ptzA:
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.
2rbi RIBONUCLEASE

(Bacillus
intermedius) 		PF00545
(Ribonuclease) 		4 THR A  25
GLN A  28
ASP A  53
SER A  27
 None
 1.19A 2xz5A-2rbiA:
undetectable
2xz5C-2rbiA:
undetectable		 2xz5A-2rbiA:
19.81
2xz5C-2rbiA:
19.81
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.
2uxy ALIPHATIC AMIDASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		4 THR A  75
GLN A  63
TYR A  60
TRP A 144
 None
None
C3Y  A 166 ( 4.9A)
None
 1.40A 2xz5A-2uxyA:
undetectable
2xz5C-2uxyA:
undetectable		 2xz5A-2uxyA:
21.16
2xz5C-2uxyA:
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.
2v8o FLAVIVIRIN PROTEASE
NS3

(Murray Valley
encephalitis
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		4 THR A 408
SER A 412
TRP A 403
TYR A 395
 None
 1.12A 2xz5A-2v8oA:
undetectable
2xz5C-2v8oA:
undetectable		 2xz5A-2v8oA:
21.94
2xz5C-2v8oA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsk HEMAGGLUTININ-NEURAM
INIDASE

(Hendra
henipavirus) 		PF00423
(HN) 		4 THR A 437
SER A 457
TYR A 508
TYR A 454
 None
 1.28A 2xz5A-2vskA:
undetectable
2xz5C-2vskA:
undetectable		 2xz5A-2vskA:
19.41
2xz5C-2vskA:
19.41
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.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 THR A  90
GLN A 156
ASP A  73
SER A  88
 None
 1.34A 2xz5A-2xpzA:
3.1
2xz5C-2xpzA:
3.0		 2xz5A-2xpzA:
16.88
2xz5C-2xpzA:
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.
2z0q RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 3

(Mus musculus) 		PF00621
(RhoGEF) 		4 THR A  59
SER A  62
TYR A 101
CYH A 105
 None
 1.13A 2xz5A-2z0qA:
undetectable
2xz5C-2z0qA:
undetectable		 2xz5A-2z0qA:
19.70
2xz5C-2z0qA:
19.70
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.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 THR O  79
ASP O   9
SER O   7
TYR O 436
 None
 1.38A 2xz5A-2zf5O:
undetectable
2xz5C-2zf5O:
undetectable		 2xz5A-2zf5O:
16.14
2xz5C-2zf5O:
16.14
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.
3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		5 THR A 254
GLN A 255
SER A 204
TYR A 269
TYR A 212
 None
CBI  A 459 ( 4.6A)
None
None
None
 1.44A 2xz5A-3axxA:
undetectable
2xz5C-3axxA:
undetectable		 2xz5A-3axxA:
18.92
2xz5C-3axxA:
18.92
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.
3chx PMOB
PMOC

(Methylosinus
trichosporium;
Methylosinus
trichosporium) 		PF04744
(Monooxygenase_B)
PF04896
(AmoC) 		4 THR C 140
ASP C 139
SER A  44
TYR A 393
 None
 1.29A 2xz5A-3chxC:
undetectable
2xz5C-3chxC:
undetectable		 2xz5A-3chxC:
16.22
2xz5C-3chxC:
16.22
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.
3dfa CALCIUM-DEPENDENT
PROTEIN KINASE
CGD3_920

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 ASP A 129
SER A 154
TYR A 182
CYH A 186
 None
 1.14A 2xz5A-3dfaA:
undetectable
2xz5C-3dfaA:
undetectable		 2xz5A-3dfaA:
20.81
2xz5C-3dfaA:
20.81
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.
3eby BETA SUBUNIT OF A
PUTATIVE
AROMATIC-RING-HYDROX
YLATING DIOXYGENASE

(Novosphingobium
aromaticivorans) 		PF00866
(Ring_hydroxyl_B) 		4 THR A  36
TYR A  44
TYR A  22
CYH A  25
 None
 1.40A 2xz5A-3ebyA:
undetectable
2xz5C-3ebyA:
undetectable		 2xz5A-3ebyA:
19.91
2xz5C-3ebyA:
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		4 THR A 305
ASP A 370
TYR A 284
TRP A 442
 None
 1.42A 2xz5A-3gipA:
undetectable
2xz5C-3gipA:
undetectable		 2xz5A-3gipA:
18.51
2xz5C-3gipA:
18.51
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.
3h4c TRANSCRIPTION FACTOR
TFIIB-LIKE

(Trypanosoma
brucei) 		no annotation 4 THR A 257
GLN A 256
TYR A 219
CYH A 223
 None
 1.23A 2xz5A-3h4cA:
undetectable
2xz5C-3h4cA:
undetectable		 2xz5A-3h4cA:
18.53
2xz5C-3h4cA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4i GLYCOSYLTRANSFERASE
GTFA,
GLYCOSYLTRANSFERASE

(Actinoplanes
teichomyceticus;
Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		4 THR A 195
ASP A 192
SER A 131
TYR A 173
 None
 1.37A 2xz5A-3h4iA:
undetectable
2xz5C-3h4iA:
undetectable		 2xz5A-3h4iA:
20.39
2xz5C-3h4iA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		4 GLN A 130
ASP A 174
TYR A  94
CYH A 171
 None
 1.18A 2xz5A-3h6eA:
undetectable
2xz5C-3h6eA:
undetectable		 2xz5A-3h6eA:
19.51
2xz5C-3h6eA:
19.51
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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 ASP A 242
SER A 153
TYR A 148
TYR A 232
 None
 1.19A 2xz5A-3h7lA:
undetectable
2xz5C-3h7lA:
undetectable		 2xz5A-3h7lA:
15.36
2xz5C-3h7lA:
15.36
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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 ASP A 242
SER A 153
TYR A 232
CYH A 230
 None
 1.39A 2xz5A-3h7lA:
undetectable
2xz5C-3h7lA:
undetectable		 2xz5A-3h7lA:
15.36
2xz5C-3h7lA:
15.36
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.
3ijp DIHYDRODIPICOLINATE
REDUCTASE

(Bartonella
henselae) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 THR A  98
GLN A  76
SER A  75
TYR A  83
 NAP  A 300 ( 4.4A)
NAP  A 300 (-4.9A)
NAP  A 300 (-4.7A)
None
 1.08A 2xz5A-3ijpA:
undetectable
2xz5C-3ijpA:
undetectable		 2xz5A-3ijpA:
21.59
2xz5C-3ijpA:
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.
3l7i TEICHOIC ACID
BIOSYNTHESIS PROTEIN
F

(Staphylococcus
epidermidis) 		PF04464
(Glyphos_transf) 		4 THR A 438
GLN A 437
ASP A 480
TYR A 415
 None
 1.33A 2xz5A-3l7iA:
undetectable
2xz5C-3l7iA:
undetectable		 2xz5A-3l7iA:
15.62
2xz5C-3l7iA:
15.62
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.
3lxt GLUTATHIONE S
TRANSFERASE

(Pseudomonas
protegens) 		PF13417
(GST_N_3) 		4 GLN A 135
ASP A 176
TYR A 138
TRP A 167
 None
 1.39A 2xz5A-3lxtA:
undetectable
2xz5C-3lxtA:
undetectable		 2xz5A-3lxtA:
20.00
2xz5C-3lxtA:
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.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 THR A 315
GLN A  60
TYR A  64
TYR A  38
 None
 1.40A 2xz5A-3n0qA:
undetectable
2xz5C-3n0qA:
undetectable		 2xz5A-3n0qA:
19.04
2xz5C-3n0qA:
19.04
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.
3o6n APL1

(Anopheles
gambiae) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 THR A 478
ASP A 459
SER A 436
TYR A 411
 NAG  A1004 ( 4.5A)
None
None
None
 1.23A 2xz5A-3o6nA:
undetectable
2xz5C-3o6nA:
undetectable		 2xz5A-3o6nA:
21.19
2xz5C-3o6nA:
21.19
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.
3oft CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		4 ASP A  13
SER A  42
TYR A 305
TRP A  30
 None
 1.11A 2xz5A-3oftA:
undetectable
2xz5C-3oftA:
undetectable		 2xz5A-3oftA:
18.78
2xz5C-3oftA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oja ANOPHELES
PLASMODIUM-RESPONSIV
E LEUCINE-RICH
REPEAT PROTEIN 1

(Anopheles
gambiae) 		PF13855
(LRR_8) 		4 THR B 478
ASP B 459
SER B 436
TYR B 411
 None
 1.24A 2xz5A-3ojaB:
undetectable
2xz5C-3ojaB:
undetectable		 2xz5A-3ojaB:
16.01
2xz5C-3ojaB:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		4 THR A  99
GLN A  77
ASP A  95
TYR A 125
 None
 0.91A 2xz5A-3ppoA:
undetectable
2xz5C-3ppoA:
undetectable		 2xz5A-3ppoA:
21.78
2xz5C-3ppoA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r6n DESMOPLAKIN

(Homo sapiens) 		no annotation 4 THR A 613
GLN A 609
ASP A 614
SER A 610
 None
 1.18A 2xz5A-3r6nA:
undetectable
2xz5C-3r6nA:
undetectable		 2xz5A-3r6nA:
17.87
2xz5C-3r6nA:
17.87
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.
3t7v METHYLORNITHINE
SYNTHASE PYLB

(Methanosarcina
barkeri) 		PF04055
(Radical_SAM) 		4 THR A  99
SER A 305
TYR A  66
TYR A  89
 None
 1.32A 2xz5A-3t7vA:
undetectable
2xz5C-3t7vA:
undetectable		 2xz5A-3t7vA:
20.45
2xz5C-3t7vA:
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.
3ty6 ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Bacillus
anthracis) 		PF00227
(Proteasome) 		4 THR A   8
ASP A  23
TYR A 170
CYH A 168
 None
 1.22A 2xz5A-3ty6A:
undetectable
2xz5C-3ty6A:
undetectable		 2xz5A-3ty6A:
19.00
2xz5C-3ty6A:
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASP A1342
SER A1099
TYR A1194
TRP A1647
 None
 1.29A 2xz5A-3va7A:
undetectable
2xz5C-3va7A:
undetectable		 2xz5A-3va7A:
12.19
2xz5C-3va7A:
12.19
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.
3ve5 RECOMBINATION
PROTEIN RECR

(Caldanaerobacter
subterraneus) 		no annotation 4 ASP D  68
TYR D  98
TYR D 102
CYH D  70
 None
None
None
ZN  D 201 (-2.5A)
 1.37A 2xz5A-3ve5D:
undetectable
2xz5C-3ve5D:
undetectable		 2xz5A-3ve5D:
22.65
2xz5C-3ve5D:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		5 THR A 254
GLN A 255
SER A 204
TYR A 269
TYR A 212
 None
 1.49A 2xz5A-3w6mA:
undetectable
2xz5C-3w6mA:
undetectable		 2xz5A-3w6mA:
18.80
2xz5C-3w6mA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zt9 SERINE PHOSPHATASE

(Moorella
thermoacetica) 		PF07228
(SpoIIE) 		4 ASP A  38
SER A 149
TYR A   9
CYH A  19
 MN  A1195 ( 2.6A)
None
None
None
 1.22A 2xz5A-3zt9A:
undetectable
2xz5C-3zt9A:
undetectable		 2xz5A-3zt9A:
19.69
2xz5C-3zt9A:
19.69
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.
3zyj LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4C
NETRIN-G1

(Homo sapiens;
Homo sapiens) 		PF00560
(LRR_1)
PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8)
PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		4 THR A 128
TYR A 201
TYR B  86
CYH B  88
 None
 1.23A 2xz5A-3zyjA:
undetectable
2xz5C-3zyjA:
undetectable		 2xz5A-3zyjA:
17.82
2xz5C-3zyjA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 THR A  34
ASP A 363
SER A 361
TYR A 269
 None
None
None
NAG  A 400 (-3.7A)
 1.38A 2xz5A-4ay1A:
undetectable
2xz5C-4ay1A:
undetectable		 2xz5A-4ay1A:
20.22
2xz5C-4ay1A:
20.22
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.
4bh5 MUREIN HYDROLASE
ACTIVATOR ENVC

(Escherichia
coli) 		PF01551
(Peptidase_M23) 		4 GLN A 395
SER A 399
TYR A 401
TRP A 320
 None
 1.34A 2xz5A-4bh5A:
undetectable
2xz5C-4bh5A:
undetectable		 2xz5A-4bh5A:
21.62
2xz5C-4bh5A:
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.
4dou ADIPONECTIN

(Homo sapiens) 		PF00386
(C1q) 		4 THR A 233
SER A 116
TYR A 159
TYR A 441
 None
 1.41A 2xz5A-4douA:
undetectable
2xz5C-4douA:
undetectable		 2xz5A-4douA:
19.86
2xz5C-4douA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4epa PESTICIN RECEPTOR

(Yersinia pestis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 THR A 357
ASP A 383
SER A 381
TYR A 361
 None
 1.12A 2xz5A-4epaA:
undetectable
2xz5C-4epaA:
undetectable		 2xz5A-4epaA:
16.49
2xz5C-4epaA:
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.
4hiz ENDOSIALIDASE

(Enterobacteria
phage phi92) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		4 THR A 159
SER A 549
TYR A 558
TRP A 199
 None
NA  A 826 ( 4.5A)
None
None
 1.38A 2xz5A-4hizA:
undetectable
2xz5C-4hizA:
undetectable		 2xz5A-4hizA:
14.72
2xz5C-4hizA:
14.72
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.
4lcy HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-46 ALPHA
CHAIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 ASP A  74
SER A  77
TYR A  85
TYR A 123
 None
 1.35A 2xz5A-4lcyA:
undetectable
2xz5C-4lcyA:
undetectable		 2xz5A-4lcyA:
20.49
2xz5C-4lcyA:
20.49
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.
4m6f DNA-INVERTASE

(Escherichia
virus Mu) 		PF00239
(Resolvase)
PF02796
(HTH_7) 		4 THR A  91
ASP A  92
SER A  89
TYR A   5
 None
 1.23A 2xz5A-4m6fA:
undetectable
2xz5C-4m6fA:
undetectable		 2xz5A-4m6fA:
20.60
2xz5C-4m6fA:
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.
4mu9 GLYCOSIDE HYDROLASE
FAMILY 73

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		4 GLN A 127
ASP A 142
SER A 128
CYH A 188
 None
EDO  A 401 ( 2.7A)
EDO  A 401 (-4.9A)
None
 0.96A 2xz5A-4mu9A:
undetectable
2xz5C-4mu9A:
undetectable		 2xz5A-4mu9A:
20.34
2xz5C-4mu9A:
20.34
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		4 THR A 420
ASP A 421
SER A 424
TRP A 414
 None
 1.25A 2xz5A-4n78A:
undetectable
2xz5C-4n78A:
undetectable		 2xz5A-4n78A:
10.20
2xz5C-4n78A:
10.20
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.
4n8c HEAVY CHAIN OF
MONOCLONAL ANTIBODY

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN H  39
ASP H  46
SER H  44
TRP H 109
 None
 1.24A 2xz5A-4n8cH:
undetectable
2xz5C-4n8cH:
undetectable		 2xz5A-4n8cH:
25.10
2xz5C-4n8cH:
25.10
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.
4npa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Vibrio cholerae) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		4 THR A  30
GLN A  37
SER A  33
TYR A  39
 None
 1.18A 2xz5A-4npaA:
undetectable
2xz5C-4npaA:
undetectable		 2xz5A-4npaA:
20.79
2xz5C-4npaA:
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 THR A1937
GLN A1890
TYR A2114
TYR A1913
 None
 1.42A 2xz5A-4o9xA:
undetectable
2xz5C-4o9xA:
undetectable		 2xz5A-4o9xA:
7.18
2xz5C-4o9xA:
7.18
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.
4on1 PUTATIVE
METALLOPROTEASE II

(Bacteroides
fragilis) 		PF00413
(Peptidase_M10)
PF16376
(fragilysinNterm) 		4 GLN A 242
ASP A 122
SER A 239
TYR A 109
 None
 1.09A 2xz5A-4on1A:
undetectable
2xz5C-4on1A:
undetectable		 2xz5A-4on1A:
20.26
2xz5C-4on1A:
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.
4p13 MEDIUM-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLN A 382
ASP A 338
SER A 379
TYR A 375
 None
None
None
FAD  A 401 (-4.9A)
 1.27A 2xz5A-4p13A:
undetectable
2xz5C-4p13A:
undetectable		 2xz5A-4p13A:
17.89
2xz5C-4p13A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4puf E3 UBIQUITIN-PROTEIN
LIGASE SLRP

(Salmonella
enterica) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 THR A 506
ASP A 606
TRP A 472
TYR A 554
 None
 1.07A 2xz5A-4pufA:
undetectable
2xz5C-4pufA:
undetectable		 2xz5A-4pufA:
16.21
2xz5C-4pufA:
16.21
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.
4xgo ANOPHELES
PLASMODIUM-RESPONSIV
E LEUCINE-RICH
REPEAT PROTEIN 1B

(Anopheles
gambiae) 		PF13855
(LRR_8) 		4 THR A 319
ASP A 300
SER A 277
TYR A 252
 None
 1.22A 2xz5A-4xgoA:
undetectable
2xz5C-4xgoA:
undetectable		 2xz5A-4xgoA:
19.83
2xz5C-4xgoA:
19.83
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.
4z0z AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 GLN A  89
ASP A  80
SER A  88
TYR A 320
 None
 1.36A 2xz5A-4z0zA:
undetectable
2xz5C-4z0zA:
undetectable		 2xz5A-4z0zA:
21.88
2xz5C-4z0zA:
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.
4zaa FDC1

(Aspergillus
niger) 		PF01977
(UbiD) 		4 THR A 323
ASP A 321
SER A 314
TYR A 150
 FZZ  A 602 (-4.7A)
None
FZZ  A 602 ( 3.9A)
None
 1.36A 2xz5A-4zaaA:
undetectable
2xz5C-4zaaA:
undetectable		 2xz5A-4zaaA:
18.76
2xz5C-4zaaA:
18.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR

(Aplysia
californica;
Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 THR A  36
GLN A  38
ASP A 164
SER A 167
 None
 0.65A 2xz5A-4zjsA:
29.2
2xz5C-4zjsA:
29.3		 2xz5A-4zjsA:
77.63
2xz5C-4zjsA:
77.63
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		4 GLN A1190
SER A1182
TYR A1163
CYH A1217
 None
 1.21A 2xz5A-5amqA:
undetectable
2xz5C-5amqA:
undetectable		 2xz5A-5amqA:
6.82
2xz5C-5amqA:
6.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ao5 C-TYPE MANNOSE
RECEPTOR 2

(Homo sapiens) 		PF00040
(fn2)
PF00059
(Lectin_C) 		4 THR A 177
SER A 182
TYR A 219
TRP A 212
 None
None
SO4  A1513 (-4.2A)
SO4  A1513 ( 3.8A)
 1.38A 2xz5A-5ao5A:
undetectable
2xz5C-5ao5A:
undetectable		 2xz5A-5ao5A:
16.43
2xz5C-5ao5A:
16.43
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.
5hss LINALOOL
DEHYDRATASE/ISOMERAS
E

(Castellaniella
defragrans) 		no annotation 4 THR A 140
GLN A 137
SER A 142
TYR A 133
 None
 1.14A 2xz5A-5hssA:
undetectable
2xz5C-5hssA:
undetectable		 2xz5A-5hssA:
20.00
2xz5C-5hssA:
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASP A1342
SER A1099
TYR A1194
TRP A1647
 None
 1.27A 2xz5A-5i8iA:
undetectable
2xz5C-5i8iA:
undetectable		 2xz5A-5i8iA:
8.27
2xz5C-5i8iA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5isx GRAMICIDIN S
SYNTHASE 1

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 THR A 913
GLN A 915
TYR A1015
TRP A 644
 PNS  A1200 (-3.6A)
None
None
None
 1.29A 2xz5A-5isxA:
undetectable
2xz5C-5isxA:
undetectable		 2xz5A-5isxA:
15.71
2xz5C-5isxA:
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.
5iv9 LPS-ASSEMBLY PROTEIN
LPTD

(Klebsiella
pneumoniae) 		PF03968
(OstA)
PF04453
(OstA_C) 		4 THR A 681
ASP A 678
TYR A 650
TRP A 711
 None
 1.41A 2xz5A-5iv9A:
undetectable
2xz5C-5iv9A:
undetectable		 2xz5A-5iv9A:
15.17
2xz5C-5iv9A:
15.17
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.
5n8d FIBER

(Murine
mastadenovirus
B) 		no annotation 4 THR A 721
ASP A 723
SER A 725
TYR A 727
 None
 1.39A 2xz5A-5n8dA:
undetectable
2xz5C-5n8dA:
undetectable		 2xz5A-5n8dA:
undetectable
2xz5C-5n8dA:
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.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA

(Sulfolobus
solfataricus;
Human
immunodeficiency
virus 1) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		4 THR A 115
GLN A 137
ASP A 116
CYH A  65
 None
None
MG  A 501 (-2.8A)
None
 1.12A 2xz5A-5u1cA:
undetectable
2xz5C-5u1cA:
undetectable		 2xz5A-5u1cA:
19.33
2xz5C-5u1cA:
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.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 4 THR A 514
GLN A 513
SER A 512
TYR A1044
 None
 1.36A 2xz5A-5wlhA:
undetectable
2xz5C-5wlhA:
undetectable		 2xz5A-5wlhA:
8.58
2xz5C-5wlhA:
8.58
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.
5x1e ICMS
ICMW

(Legionella
pneumophila;
Legionella
pneumophila) 		PF12608
(T4bSS_IcmS)
no annotation 		4 GLN A  98
ASP A  91
TYR B 138
CYH B 136
 None
 1.31A 2xz5A-5x1eA:
undetectable
2xz5C-5x1eA:
undetectable		 2xz5A-5x1eA:
16.51
2xz5C-5x1eA:
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.
5xbj FLAGELLAR
HOOK-ASSOCIATED
PROTEIN FLGK

(Campylobacter
jejuni) 		no annotation 4 THR A 285
ASP A 283
SER A 271
TYR A 304
 None
 1.26A 2xz5A-5xbjA:
undetectable
2xz5C-5xbjA:
undetectable		 2xz5A-5xbjA:
undetectable
2xz5C-5xbjA:
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.
5xgl SOLUBLE
ACETYLCHOLINE
RECEPTOR

(Aplysia
californica) 		no annotation 4 THR A  34
GLN A  36
ASP A 162
SER A 165
 None
 0.33A 2xz5A-5xglA:
30.7
2xz5C-5xglA:
30.8		 2xz5A-5xglA:
undetectable
2xz5C-5xglA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 GLN B  34
ASP B  39
TYR B 193
CYH B 170
 None
 1.21A 2xz5A-5xogB:
undetectable
2xz5C-5xogB:
undetectable		 2xz5A-5xogB:
11.35
2xz5C-5xogB:
11.35
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.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 4 THR A 387
ASP A 382
TYR A 413
TYR A 273
 None
 1.18A 2xz5A-5xwqA:
undetectable
2xz5C-5xwqA:
undetectable		 2xz5A-5xwqA:
undetectable
2xz5C-5xwqA:
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 4 THR A 354
GLN A 352
ASP A 357
TYR A 471
 None
 1.19A 2xz5A-5y6rA:
undetectable
2xz5C-5y6rA:
undetectable		 2xz5A-5y6rA:
undetectable
2xz5C-5y6rA:
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.
6ba5 VARIABLE DOMAIN
HEAVY CHAIN,
ANTIBODY R11
INACTIVE
TYROSINE-PROTEIN
KINASE TRANSMEMBRANE
RECEPTOR ROR1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 THR M 328
ASP M 384
SER M 330
TYR B  99
 None
 1.41A 2xz5A-6ba5M:
undetectable
2xz5C-6ba5M:
undetectable		 2xz5A-6ba5M:
undetectable
2xz5C-6ba5M:
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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 ASP A  54
SER A 251
TYR A 253
TRP A 279
 PO4  A 601 (-3.8A)
PO4  A 601 ( 4.0A)
None
None
 1.21A 2xz5A-6dd3A:
undetectable
2xz5C-6dd3A:
undetectable		 2xz5A-6dd3A:
undetectable
2xz5C-6dd3A:
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.
6gdt -

(-) 		no annotation 4 ASP A 242
SER A 153
TYR A 148
TYR A 232
 None
 1.04A 2xz5A-6gdtA:
undetectable
2xz5C-6gdtA:
undetectable		 2xz5A-6gdtA:
undetectable
2xz5C-6gdtA:
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.
6gdt -

(-) 		no annotation 4 ASP A 242
SER A 153
TYR A 232
CYH A 230
 None
 1.28A 2xz5A-6gdtA:
undetectable
2xz5C-6gdtA:
undetectable		 2xz5A-6gdtA:
undetectable
2xz5C-6gdtA:
undetectable