SIMILAR PATTERNS OF AMINO ACIDS FOR 6HU9_I_PCFI101_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.
1ci9 PROTEIN
(CARBOXYLESTERASE)

(Burkholderia
gladioli) 		PF00144
(Beta-lactamase) 		5 ASP A 186
SER A 272
VAL A 351
GLY A 353
ALA A  38
 None
None
DFP  A 401 (-3.2A)
None
None
 1.29A 6hu9A-1ci9A:
0.0
6hu9E-1ci9A:
undetectable
6hu9I-1ci9A:
0.0		 6hu9A-1ci9A:
22.00
6hu9E-1ci9A:
18.11
6hu9I-1ci9A:
10.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ebp EPO RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF09067
(EpoR_lig-bind) 		5 TYR A 192
VAL A 160
SER A 213
ALA A 123
VAL A 216
 None
 1.24A 6hu9A-1ebpA:
undetectable
6hu9E-1ebpA:
undetectable
6hu9I-1ebpA:
undetectable		 6hu9A-1ebpA:
18.96
6hu9E-1ebpA:
23.04
6hu9I-1ebpA:
14.15
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.
1ez4 LACTATE
DEHYDROGENASE

(Lactobacillus
pentosus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 186
TYR A 188
GLY A 191
SER A 317
ALA A 319
 None
 1.45A 6hu9A-1ez4A:
0.0
6hu9E-1ez4A:
undetectable
6hu9I-1ez4A:
undetectable		 6hu9A-1ez4A:
21.54
6hu9E-1ez4A:
23.17
6hu9I-1ez4A:
12.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
7.3 KD PROTEIN

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF05365
(UCR_UQCRX_QCR9) 		5 TRP A 426
ASP A 427
SER A 452
MET A 454
VAL I  18
 None
 0.84A 6hu9A-1ezvA:
0.0
6hu9E-1ezvA:
0.0
6hu9I-1ezvA:
0.0		 6hu9A-1ezvA:
99.54
6hu9E-1ezvA:
17.87
6hu9I-1ezvA:
10.82
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.
1hxh 3BETA/17BETA-HYDROXY
STEROID
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13561
(adh_short_C2) 		5 SER A 154
GLY A  13
SER A  36
ALA A  34
VAL A  61
 None
 1.27A 6hu9A-1hxhA:
0.0
6hu9E-1hxhA:
undetectable
6hu9I-1hxhA:
0.0		 6hu9A-1hxhA:
21.36
6hu9E-1hxhA:
22.01
6hu9I-1hxhA:
12.88
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.
1jny ELONGATION FACTOR
1-ALPHA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 MET A 177
TYR A 122
VAL A 115
GLY A  13
ALA A  91
 None
 1.32A 6hu9A-1jnyA:
0.0
6hu9E-1jnyA:
undetectable
6hu9I-1jnyA:
0.0		 6hu9A-1jnyA:
22.06
6hu9E-1jnyA:
19.22
6hu9I-1jnyA:
9.93
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		5 SER A 271
GLY A 116
ALA A  48
ASN A 217
VAL A  91
 None
None
None
AEP  A 683 (-3.6A)
None
 1.29A 6hu9A-1lfwA:
0.1
6hu9E-1lfwA:
0.2
6hu9I-1lfwA:
0.0		 6hu9A-1lfwA:
23.11
6hu9E-1lfwA:
17.15
6hu9I-1lfwA:
9.19
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 TYR A  15
VAL A  28
ALA A  84
ASN A  12
VAL A  31
 None
None
None
ZN  A 262 ( 4.6A)
None
 1.26A 6hu9A-1qh5A:
0.0
6hu9E-1qh5A:
undetectable
6hu9I-1qh5A:
0.0		 6hu9A-1qh5A:
21.44
6hu9E-1qh5A:
21.67
6hu9I-1qh5A:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		5 SER A 135
TYR A 138
GLY A 181
ALA A 184
VAL A  13
 None
 1.30A 6hu9A-1tf1A:
undetectable
6hu9E-1tf1A:
undetectable
6hu9I-1tf1A:
undetectable		 6hu9A-1tf1A:
18.33
6hu9E-1tf1A:
22.49
6hu9I-1tf1A:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wpw 3-ISOPROPYLMALATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		5 ASP A  89
GLY A 223
SER A 227
ALA A 230
ASN A 244
 None
 1.30A 6hu9A-1wpwA:
1.1
6hu9E-1wpwA:
undetectable
6hu9I-1wpwA:
undetectable		 6hu9A-1wpwA:
21.67
6hu9E-1wpwA:
22.67
6hu9I-1wpwA:
12.12
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.
1x0l HOMOISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		5 ASP A  92
GLY A 227
SER A 231
ALA A 234
ASN A 248
 None
 1.24A 6hu9A-1x0lA:
undetectable
6hu9E-1x0lA:
0.0
6hu9I-1x0lA:
undetectable		 6hu9A-1x0lA:
21.92
6hu9E-1x0lA:
22.62
6hu9I-1x0lA:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkd ISOCITRATE
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00180
(Iso_dh) 		5 ASP A 130
GLY A 310
SER A 314
ALA A 317
ASN A 331
 None
 1.15A 6hu9A-1xkdA:
undetectable
6hu9E-1xkdA:
undetectable
6hu9I-1xkdA:
undetectable		 6hu9A-1xkdA:
22.54
6hu9E-1xkdA:
18.89
6hu9I-1xkdA:
9.58
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.
1y7i SALICYLIC
ACID-BINDING PROTEIN
2

(Nicotiana
tabacum) 		PF12697
(Abhydrolase_6) 		5 ASP A 223
VAL A 206
SER A 251
ALA A 250
VAL A 203
 None
 1.45A 6hu9A-1y7iA:
undetectable
6hu9E-1y7iA:
undetectable
6hu9I-1y7iA:
undetectable		 6hu9A-1y7iA:
20.14
6hu9E-1y7iA:
19.78
6hu9I-1y7iA:
12.60
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		6 ASP A 485
SER A 496
TYR A 537
VAL A 576
ALA A 448
VAL A 464
 None
 1.36A 6hu9A-1z8lA:
4.6
6hu9E-1z8lA:
undetectable
6hu9I-1z8lA:
undetectable		 6hu9A-1z8lA:
22.45
6hu9E-1z8lA:
14.41
6hu9I-1z8lA:
6.98
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		5 VAL A 137
GLY A 135
SER A 163
ALA A 131
ASN A 231
 None
None
None
None
PO4  A 401 ( 4.3A)
 1.43A 6hu9A-1zwxA:
undetectable
6hu9E-1zwxA:
undetectable
6hu9I-1zwxA:
undetectable		 6hu9A-1zwxA:
20.93
6hu9E-1zwxA:
19.93
6hu9I-1zwxA:
10.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bs9 BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF01229
(Glyco_hydro_39) 		5 ASP A  87
TYR A 145
VAL A 150
ALA A 183
VAL A 137
 None
 1.38A 6hu9A-2bs9A:
undetectable
6hu9E-2bs9A:
undetectable
6hu9I-2bs9A:
undetectable		 6hu9A-2bs9A:
21.16
6hu9E-2bs9A:
17.74
6hu9I-2bs9A:
7.85
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.
2fe8 REPLICASE
POLYPROTEIN 1AB

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		5 SER A 240
TYR A 214
GLY A 220
ALA A 231
VAL A 236
 None
 1.31A 6hu9A-2fe8A:
undetectable
6hu9E-2fe8A:
undetectable
6hu9I-2fe8A:
undetectable		 6hu9A-2fe8A:
20.18
6hu9E-2fe8A:
20.00
6hu9I-2fe8A:
11.49
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.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		5 ASP A 119
GLY A 300
SER A 304
ALA A 307
ASN A 321
 None
 1.12A 6hu9A-2iv0A:
undetectable
6hu9E-2iv0A:
undetectable
6hu9I-2iv0A:
undetectable		 6hu9A-2iv0A:
22.01
6hu9E-2iv0A:
18.58
6hu9I-2iv0A:
9.50
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.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ASP A 134
SER A 360
VAL A 145
GLY A 147
VAL A 707
 None
 1.32A 6hu9A-2jirA:
undetectable
6hu9E-2jirA:
0.0
6hu9I-2jirA:
undetectable		 6hu9A-2jirA:
21.31
6hu9E-2jirA:
15.38
6hu9I-2jirA:
8.64
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.
2nx8 TRNA-SPECIFIC
ADENOSINE DEAMINASE

(Streptococcus
pyogenes) 		PF14437
(MafB19-deam) 		5 ASP A 123
TYR A 112
VAL A  90
GLY A  39
ASN A 116
 None
 1.17A 6hu9A-2nx8A:
0.8
6hu9E-2nx8A:
0.0
6hu9I-2nx8A:
undetectable		 6hu9A-2nx8A:
17.44
6hu9E-2nx8A:
22.22
6hu9I-2nx8A:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nx8 TRNA-SPECIFIC
ADENOSINE DEAMINASE

(Streptococcus
pyogenes) 		PF14437
(MafB19-deam) 		5 SER A 124
TYR A 112
VAL A  90
GLY A  39
SER A  30
 None
 1.32A 6hu9A-2nx8A:
0.8
6hu9E-2nx8A:
0.0
6hu9I-2nx8A:
undetectable		 6hu9A-2nx8A:
17.44
6hu9E-2nx8A:
22.22
6hu9I-2nx8A:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2obe HEXON

(Human
mastadenovirus
E) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 VAL A 902
GLY A 657
ALA A 752
ASN A 631
VAL A 899
 None
 1.38A 6hu9A-2obeA:
undetectable
6hu9E-2obeA:
undetectable
6hu9I-2obeA:
undetectable		 6hu9A-2obeA:
19.25
6hu9E-2obeA:
12.04
6hu9I-2obeA:
5.97
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.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		5 GLY A 313
SER A 119
ALA A 123
ASN A 255
VAL A  72
 None
 0.99A 6hu9A-2qezA:
undetectable
6hu9E-2qezA:
0.1
6hu9I-2qezA:
undetectable		 6hu9A-2qezA:
23.00
6hu9E-2qezA:
18.44
6hu9I-2qezA:
10.19
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.
2v35 ELASTASE-1

(Sus scrofa) 		PF00089
(Trypsin) 		5 VAL A  99
GLY A 100
SER A 179
ALA A 233
VAL A 176
 None
None
None
SO4  A1248 (-3.9A)
None
 1.03A 6hu9A-2v35A:
undetectable
6hu9E-2v35A:
undetectable
6hu9I-2v35A:
undetectable		 6hu9A-2v35A:
20.99
6hu9E-2v35A:
20.90
6hu9I-2v35A:
12.86
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.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 109
VAL A  58
GLY A  56
ALA A 181
ASN A 107
 GOL  A1494 (-3.2A)
None
FAD  A1491 ( 3.7A)
None
None
 1.44A 6hu9A-2wbaA:
undetectable
6hu9E-2wbaA:
undetectable
6hu9I-2wbaA:
undetectable		 6hu9A-2wbaA:
21.71
6hu9E-2wbaA:
17.92
6hu9I-2wbaA:
8.74
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.
2wnw ACTIVATED BY
TRANSCRIPTION FACTOR
SSRB

(Salmonella
enterica) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 TYR A 376
VAL A 406
GLY A 397
SER A 386
VAL A 409
 None
 1.27A 6hu9A-2wnwA:
undetectable
6hu9E-2wnwA:
0.0
6hu9I-2wnwA:
undetectable		 6hu9A-2wnwA:
23.55
6hu9E-2wnwA:
17.89
6hu9I-2wnwA:
9.84
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.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ASP A 474
SER A 472
SER A 380
ALA A 378
VAL A 451
 None
 1.43A 6hu9A-2x40A:
undetectable
6hu9E-2x40A:
undetectable
6hu9I-2x40A:
undetectable		 6hu9A-2x40A:
21.49
6hu9E-2x40A:
13.15
6hu9I-2x40A:
9.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 ASP A 863
SER A 867
VAL A 728
GLY A 745
ALA A 758
 None
 1.34A 6hu9A-2yocA:
undetectable
6hu9E-2yocA:
undetectable
6hu9I-2yocA:
undetectable		 6hu9A-2yocA:
18.43
6hu9E-2yocA:
11.38
6hu9I-2yocA:
5.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a7k HALORHODOPSIN

(Natronomonas
pharaonis) 		PF01036
(Bac_rhodopsin) 		5 TRP A 246
SER A  37
VAL A 233
GLY A 235
VAL A 228
 L3P  A 333 (-3.6A)
None
None
None
None
 1.26A 6hu9A-3a7kA:
2.5
6hu9E-3a7kA:
0.0
6hu9I-3a7kA:
undetectable		 6hu9A-3a7kA:
20.28
6hu9E-3a7kA:
21.25
6hu9I-3a7kA:
12.97
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.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		5 VAL A  76
GLY A  84
SER A 209
ALA A 212
ASN A  69
 EDO  A   3 ( 4.7A)
None
None
None
None
 1.44A 6hu9A-3cjmA:
undetectable
6hu9E-3cjmA:
0.1
6hu9I-3cjmA:
undetectable		 6hu9A-3cjmA:
21.07
6hu9E-3cjmA:
22.59
6hu9I-3cjmA:
14.39
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.
3cx5 CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00355
(Rieske)
PF02921
(UCR_TM) 		5 TYR E  57
VAL E  60
GLY E  64
SER E  68
ALA E  71
 None
 0.43A 6hu9A-3cx5E:
undetectable
6hu9E-3cx5E:
undetectable
6hu9I-3cx5E:
3.5		 6hu9A-3cx5E:
18.55
6hu9E-3cx5E:
100.00
6hu9I-3cx5E:
17.65
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		5 GLY A 376
SER A 499
ALA A 501
ASN A 530
VAL A 528
 None
 1.32A 6hu9A-3djaA:
undetectable
6hu9E-3djaA:
0.8
6hu9I-3djaA:
undetectable		 6hu9A-3djaA:
22.73
6hu9E-3djaA:
15.74
6hu9I-3djaA:
8.42
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		5 ASP A 201
VAL A  93
GLY A  95
SER A 124
ALA A 123
 MTM  A 234 (-3.0A)
None
None
None
None
 1.28A 6hu9A-3eeiA:
undetectable
6hu9E-3eeiA:
undetectable
6hu9I-3eeiA:
undetectable		 6hu9A-3eeiA:
21.12
6hu9E-3eeiA:
22.31
6hu9I-3eeiA:
16.10
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.
3eez PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 103
VAL A 291
GLY A 263
SER A 239
ALA A 259
 None
 1.36A 6hu9A-3eezA:
undetectable
6hu9E-3eezA:
undetectable
6hu9I-3eezA:
undetectable		 6hu9A-3eezA:
19.51
6hu9E-3eezA:
20.38
6hu9I-3eezA:
8.89
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.
3ez6 PLASMID PARTITION
PROTEIN A

(Escherichia
coli) 		PF13614
(AAA_31) 		5 ASP A 357
SER A 361
SER A 174
ALA A 177
VAL A 148
 None
 1.43A 6hu9A-3ez6A:
undetectable
6hu9E-3ez6A:
undetectable
6hu9I-3ez6A:
undetectable		 6hu9A-3ez6A:
24.30
6hu9E-3ez6A:
19.70
6hu9I-3ez6A:
11.20
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		6 ASP A 475
SER A 486
TYR A 527
VAL A 566
ALA A 438
VAL A 454
 None
 1.31A 6hu9A-3fedA:
5.3
6hu9E-3fedA:
0.0
6hu9I-3fedA:
undetectable		 6hu9A-3fedA:
21.65
6hu9E-3fedA:
13.97
6hu9I-3fedA:
6.41
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.
3iu0 PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Streptomyces
mobaraensis) 		PF09017
(Transglut_prok) 		5 ASP A 283
VAL A 111
GLY A 109
ALA A 326
ASN A 299
 None
 1.04A 6hu9A-3iu0A:
undetectable
6hu9E-3iu0A:
undetectable
6hu9I-3iu0A:
undetectable		 6hu9A-3iu0A:
21.91
6hu9E-3iu0A:
20.33
6hu9I-3iu0A:
9.46
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.
3lkv UNCHARACTERIZED
CONSERVED DOMAIN
PROTEIN

(Vibrio cholerae) 		PF04392
(ABC_sub_bind) 		5 TYR A 272
VAL A 113
GLY A  94
ALA A  77
VAL A 117
 None
None
None
None
PHE  A 601 (-3.7A)
 1.17A 6hu9A-3lkvA:
undetectable
6hu9E-3lkvA:
undetectable
6hu9I-3lkvA:
undetectable		 6hu9A-3lkvA:
23.83
6hu9E-3lkvA:
21.74
6hu9I-3lkvA:
13.88
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.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 ASP A 401
GLY A 323
SER A 298
ALA A 301
VAL A  33
 None
 1.33A 6hu9A-3mpnA:
undetectable
6hu9E-3mpnA:
undetectable
6hu9I-3mpnA:
undetectable		 6hu9A-3mpnA:
22.18
6hu9E-3mpnA:
17.01
6hu9I-3mpnA:
7.09
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.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT BETA-1
NA+/K+ ATPASE GAMMA
SUBUNIT TRANSCRIPT
VARIANT A

(Sus scrofa;
Sus scrofa) 		PF00287
(Na_K-ATPase)
no annotation 		5 ASP B  70
TYR G  23
VAL G  26
GLY G  30
ALA G  37
 None
 1.36A 6hu9A-3n23B:
undetectable
6hu9E-3n23B:
undetectable
6hu9I-3n23B:
undetectable		 6hu9A-3n23B:
21.32
6hu9E-3n23B:
19.71
6hu9I-3n23B:
13.50
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.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 SER A 228
VAL A 347
GLY A 332
ALA A 107
VAL A 351
 None
ACJ  A 478 (-4.4A)
ACJ  A 478 (-4.4A)
None
None
 1.46A 6hu9A-3nksA:
undetectable
6hu9E-3nksA:
undetectable
6hu9I-3nksA:
undetectable		 6hu9A-3nksA:
23.33
6hu9E-3nksA:
17.51
6hu9I-3nksA:
8.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p52 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Campylobacter
jejuni) 		PF02540
(NAD_synthase) 		5 SER A  36
VAL A  51
GLY A  25
SER A  23
VAL A 127
 None
 1.39A 6hu9A-3p52A:
undetectable
6hu9E-3p52A:
undetectable
6hu9I-3p52A:
undetectable		 6hu9A-3p52A:
21.93
6hu9E-3p52A:
20.93
6hu9I-3p52A:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qlv GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 5

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 ASP A 125
SER A 122
TYR A 354
GLY A 338
ALA A  28
 None
 1.36A 6hu9A-3qlvA:
undetectable
6hu9E-3qlvA:
undetectable
6hu9I-3qlvA:
undetectable		 6hu9A-3qlvA:
22.52
6hu9E-3qlvA:
19.77
6hu9I-3qlvA:
9.92
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.
3rj9 ALCOHOL
DEHYDROGENASE

(Scaptodrosophila
lebanonensis) 		PF00106
(adh_short) 		5 TRP A 250
ASP A 251
SER A 252
GLY A 231
ALA A 134
 None
 1.31A 6hu9A-3rj9A:
undetectable
6hu9E-3rj9A:
undetectable
6hu9I-3rj9A:
undetectable		 6hu9A-3rj9A:
23.56
6hu9E-3rj9A:
21.49
6hu9I-3rj9A:
11.81
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 ASP A 497
SER A 503
GLY A 337
SER A 357
ASN A 487
 None
 1.31A 6hu9A-3w6qA:
undetectable
6hu9E-3w6qA:
undetectable
6hu9I-3w6qA:
undetectable		 6hu9A-3w6qA:
21.41
6hu9E-3w6qA:
14.89
6hu9I-3w6qA:
7.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x17 ENDOGLUCANASE

(uncultured
bacterium) 		no annotation 5 ASP B  93
SER B 438
GLY B 528
ALA B 560
VAL B 487
 None
 1.18A 6hu9A-3x17B:
0.9
6hu9E-3x17B:
0.6
6hu9I-3x17B:
undetectable		 6hu9A-3x17B:
21.62
6hu9E-3x17B:
16.91
6hu9I-3x17B:
7.26
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		5 ASP A 249
SER A 251
VAL A 134
ALA A 127
VAL A 181
 None
 1.37A 6hu9A-4conA:
undetectable
6hu9E-4conA:
undetectable
6hu9I-4conA:
undetectable		 6hu9A-4conA:
22.19
6hu9E-4conA:
14.11
6hu9I-4conA:
8.46
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.
4d7e L-LYS MONOOXYGENASE

(Nocardia
farcinica) 		PF13434
(K_oxygenase) 		5 ASP A  53
GLY A 214
SER A 237
ALA A 240
VAL A 211
 None
 1.37A 6hu9A-4d7eA:
undetectable
6hu9E-4d7eA:
undetectable
6hu9I-4d7eA:
undetectable		 6hu9A-4d7eA:
21.85
6hu9E-4d7eA:
18.07
6hu9I-4d7eA:
6.53
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.
4ewg BETA-KETOACYL
SYNTHASE

(Paraburkholderia
phymatum) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 327
TYR A 332
VAL A 333
GLY A 232
ALA A 198
 None
 1.31A 6hu9A-4ewgA:
0.0
6hu9E-4ewgA:
undetectable
6hu9I-4ewgA:
undetectable		 6hu9A-4ewgA:
21.95
6hu9E-4ewgA:
20.00
6hu9I-4ewgA:
11.40
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.
4ewp 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Micrococcus
luteus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A 347
GLY A 184
SER A 180
ALA A  12
VAL A  17
 None
 1.39A 6hu9A-4ewpA:
undetectable
6hu9E-4ewpA:
undetectable
6hu9I-4ewpA:
undetectable		 6hu9A-4ewpA:
21.19
6hu9E-4ewpA:
20.52
6hu9I-4ewpA:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f53 SUSD HOMOLOG

(Bacteroides
ovatus) 		PF12741
(SusD-like) 		5 SER A 284
VAL A 409
GLY A 407
SER A 405
ALA A 404
 None
 1.32A 6hu9A-4f53A:
undetectable
6hu9E-4f53A:
undetectable
6hu9I-4f53A:
undetectable		 6hu9A-4f53A:
22.61
6hu9E-4f53A:
16.44
6hu9I-4f53A:
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.
4fer EXPANSIN-YOAJ

(Bacillus
subtilis) 		PF03330
(DPBB_1) 		5 SER A 122
TYR A 198
VAL A 200
GLY A 202
VAL A 131
 None
 1.35A 6hu9A-4ferA:
undetectable
6hu9E-4ferA:
undetectable
6hu9I-4ferA:
undetectable		 6hu9A-4ferA:
20.14
6hu9E-4ferA:
21.89
6hu9I-4ferA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		5 GLY A 263
SER A 265
ALA A 424
ASN A 162
VAL A 294
 None
None
None
NAD  A 601 (-3.3A)
None
 1.28A 6hu9A-4i8qA:
0.8
6hu9E-4i8qA:
undetectable
6hu9I-4i8qA:
undetectable		 6hu9A-4i8qA:
22.11
6hu9E-4i8qA:
16.88
6hu9I-4i8qA:
7.78
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.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		5 MET A 167
GLY A 263
SER A 265
ALA A 424
VAL A 294
 NAD  A 601 ( 3.9A)
None
None
None
None
 1.45A 6hu9A-4i8qA:
0.8
6hu9E-4i8qA:
undetectable
6hu9I-4i8qA:
undetectable		 6hu9A-4i8qA:
22.11
6hu9E-4i8qA:
16.88
6hu9I-4i8qA:
7.78
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.
4jhj MIF4G
DOMAIN-CONTAINING
PROTEIN B

(Danio rerio) 		PF02854
(MIF4G) 		5 SER A  39
VAL A  32
GLY A  30
ASN A  78
VAL A  74
 None
 1.41A 6hu9A-4jhjA:
undetectable
6hu9E-4jhjA:
undetectable
6hu9I-4jhjA:
undetectable		 6hu9A-4jhjA:
19.40
6hu9E-4jhjA:
20.98
6hu9I-4jhjA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 VAL A 967
GLY A 395
ALA A 471
ASN A 927
VAL A 923
 None
 1.45A 6hu9A-4k0eA:
undetectable
6hu9E-4k0eA:
undetectable
6hu9I-4k0eA:
undetectable		 6hu9A-4k0eA:
18.85
6hu9E-4k0eA:
11.84
6hu9I-4k0eA:
4.83
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 SER A 180
VAL A 186
GLY A 151
ALA A 159
VAL A 262
 None
 1.03A 6hu9A-4kpoA:
undetectable
6hu9E-4kpoA:
undetectable
6hu9I-4kpoA:
undetectable		 6hu9A-4kpoA:
22.17
6hu9E-4kpoA:
22.76
6hu9I-4kpoA:
10.61
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.
4ma5 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Francisella
tularensis) 		PF02222
(ATP-grasp) 		5 SER A  95
GLY A 268
SER A 271
ALA A 275
VAL A 264
 NA  A 404 (-4.7A)
None
None
None
None
 1.35A 6hu9A-4ma5A:
undetectable
6hu9E-4ma5A:
undetectable
6hu9I-4ma5A:
undetectable		 6hu9A-4ma5A:
22.62
6hu9E-4ma5A:
21.27
6hu9I-4ma5A:
10.89
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		5 SER A 238
TYR A 319
GLY A 301
SER A 324
ALA A 265
 None
 1.46A 6hu9A-4p6vA:
undetectable
6hu9E-4p6vA:
undetectable
6hu9I-4p6vA:
undetectable		 6hu9A-4p6vA:
23.73
6hu9E-4p6vA:
17.37
6hu9I-4p6vA:
10.36
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.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 GLY A 270
SER A 272
ALA A 430
ASN A 169
VAL A 300
 None
 1.30A 6hu9A-4qyjA:
1.5
6hu9E-4qyjA:
undetectable
6hu9I-4qyjA:
undetectable		 6hu9A-4qyjA:
23.13
6hu9E-4qyjA:
17.25
6hu9I-4qyjA:
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.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Dictyostelium
purpureum) 		PF05450
(Nicastrin) 		5 ASP A 150
GLY A 251
SER A 255
ALA A 258
ASN A 146
 None
 1.41A 6hu9A-4r12A:
1.5
6hu9E-4r12A:
undetectable
6hu9I-4r12A:
undetectable		 6hu9A-4r12A:
22.33
6hu9E-4r12A:
17.30
6hu9I-4r12A:
7.76
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 TYR A 196
VAL A 193
GLY A 723
ALA A 701
VAL A 709
 None
 1.39A 6hu9A-4rvwA:
undetectable
6hu9E-4rvwA:
undetectable
6hu9I-4rvwA:
undetectable		 6hu9A-4rvwA:
20.79
6hu9E-4rvwA:
13.81
6hu9I-4rvwA:
6.86
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.
4u4p STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
2
STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
4

(Homo sapiens;
Homo sapiens) 		PF06470
(SMC_hinge)
PF06470
(SMC_hinge) 		5 SER B 748
VAL A 526
GLY A 524
ALA A 509
VAL A 554
 None
 1.36A 6hu9A-4u4pB:
undetectable
6hu9E-4u4pB:
undetectable
6hu9I-4u4pB:
undetectable		 6hu9A-4u4pB:
21.74
6hu9E-4u4pB:
25.10
6hu9I-4u4pB:
12.86
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.
4xze NUCLEOPROTEIN

(Hazara
orthonairovirus) 		PF02477
(Nairo_nucleo) 		5 VAL A 330
GLY A 396
ALA A  75
ASN A   3
VAL A 400
 None
 1.39A 6hu9A-4xzeA:
undetectable
6hu9E-4xzeA:
undetectable
6hu9I-4xzeA:
undetectable		 6hu9A-4xzeA:
25.05
6hu9E-4xzeA:
17.72
6hu9I-4xzeA:
9.62
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 SER A1269
VAL A1195
GLY A1260
SER A1080
ALA A1081
 None
 1.16A 6hu9A-4yswA:
undetectable
6hu9E-4yswA:
1.3
6hu9I-4yswA:
undetectable		 6hu9A-4yswA:
15.73
6hu9E-4yswA:
9.34
6hu9I-4yswA:
4.22
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.
4yzf BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF00955
(HCO3_cotransp) 		5 TYR A 794
VAL A 797
SER A 525
ASN A 736
VAL A 732
 None
 1.33A 6hu9A-4yzfA:
undetectable
6hu9E-4yzfA:
undetectable
6hu9I-4yzfA:
undetectable		 6hu9A-4yzfA:
19.54
6hu9E-4yzfA:
10.75
6hu9I-4yzfA:
5.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z2y CALO6

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 TRP A 254
ASP A 253
VAL A 211
ALA A 219
VAL A 204
 None
 1.39A 6hu9A-4z2yA:
undetectable
6hu9E-4z2yA:
undetectable
6hu9I-4z2yA:
undetectable		 6hu9A-4z2yA:
21.13
6hu9E-4z2yA:
18.98
6hu9I-4z2yA:
14.62
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.
5axh DEXTRANASE

(Thermoanaerobacter
pseudethanolicus) 		PF13199
(Glyco_hydro_66) 		5 ASP A 571
SER A 569
MET A 605
TYR A 471
GLY A 437
 None
 1.46A 6hu9A-5axhA:
undetectable
6hu9E-5axhA:
undetectable
6hu9I-5axhA:
undetectable		 6hu9A-5axhA:
20.55
6hu9E-5axhA:
18.15
6hu9I-5axhA:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5csc CITRATE SYNTHASE

(Gallus gallus) 		PF00285
(Citrate_synt) 		5 SER B 142
VAL B 251
SER B 412
ALA B 414
VAL B 405
 None
 1.13A 6hu9A-5cscB:
undetectable
6hu9E-5cscB:
undetectable
6hu9I-5cscB:
undetectable		 6hu9A-5cscB:
21.54
6hu9E-5cscB:
17.16
6hu9I-5cscB:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dn6 ATP SYNTHASE SUBUNIT
ALPHA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ASP A 130
MET A  52
TYR A 245
GLY A  37
VAL A  73
 None
 1.33A 6hu9A-5dn6A:
3.0
6hu9E-5dn6A:
undetectable
6hu9I-5dn6A:
undetectable		 6hu9A-5dn6A:
26.47
6hu9E-5dn6A:
18.24
6hu9I-5dn6A:
8.51
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.
5edl PUTATIVE
HMP/THIAMINE
PERMEASE PROTEIN
YKOE

(Bacillus
subtilis) 		PF09819
(ABC_cobalt) 		5 TYR A 130
VAL A  94
GLY A  98
ALA A 105
VAL A 125
 None
MPG  A 203 ( 4.8A)
MPG  A 203 ( 4.1A)
None
None
 1.20A 6hu9A-5edlA:
0.7
6hu9E-5edlA:
0.0
6hu9I-5edlA:
undetectable		 6hu9A-5edlA:
18.45
6hu9E-5edlA:
20.75
6hu9I-5edlA:
14.89
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.
5evy SALICYLATE
HYDROXYLASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 ASP X 331
TYR X 356
VAL X 303
GLY X 305
VAL X 155
 None
 1.43A 6hu9A-5evyX:
1.9
6hu9E-5evyX:
undetectable
6hu9I-5evyX:
undetectable		 6hu9A-5evyX:
21.19
6hu9E-5evyX:
19.24
6hu9I-5evyX:
11.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ez1 PUTATIVE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
HP_0175

(Helicobacter
pylori) 		PF00639
(Rotamase) 		5 ASP A 178
TYR A 235
GLY A 209
SER A 202
ALA A 205
 None
 1.37A 6hu9A-5ez1A:
undetectable
6hu9E-5ez1A:
1.1
6hu9I-5ez1A:
undetectable		 6hu9A-5ez1A:
22.25
6hu9E-5ez1A:
23.33
6hu9I-5ez1A:
14.02
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.
5fbu PHOSPHOENOLPYRUVATE
SYNTHASE

(Listeria
monocytogenes) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N) 		5 ASP A 341
TYR A 800
VAL A 819
GLY A 821
SER A 390
 None
None
None
None
5WP  A 901 ( 3.7A)
 1.40A 6hu9A-5fbuA:
undetectable
6hu9E-5fbuA:
1.8
6hu9I-5fbuA:
undetectable		 6hu9A-5fbuA:
19.72
6hu9E-5fbuA:
12.83
6hu9I-5fbuA:
6.35
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.
5fp2 FERRIC ENTEROBACTIN
RECEPTOR PIRA

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A 165
VAL A 673
GLY A 664
SER A 623
ALA A 618
 None
 1.39A 6hu9A-5fp2A:
undetectable
6hu9E-5fp2A:
undetectable
6hu9I-5fp2A:
undetectable		 6hu9A-5fp2A:
22.14
6hu9E-5fp2A:
15.68
6hu9I-5fp2A:
7.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 VAL A 115
GLY A 162
SER A 166
ALA A 169
VAL A 101
 None
 1.40A 6hu9A-5ha5A:
undetectable
6hu9E-5ha5A:
undetectable
6hu9I-5ha5A:
undetectable		 6hu9A-5ha5A:
20.32
6hu9E-5ha5A:
21.43
6hu9I-5ha5A:
10.67
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.
5i6s ENDOGLUCANASE

(Talaromyces
verruculosus) 		PF00150
(Cellulase) 		5 ASP A 160
VAL A 152
GLY A 176
SER A 180
ALA A 182
 None
 1.20A 6hu9A-5i6sA:
undetectable
6hu9E-5i6sA:
undetectable
6hu9I-5i6sA:
undetectable		 6hu9A-5i6sA:
22.15
6hu9E-5i6sA:
19.81
6hu9I-5i6sA:
13.24
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.
5i6s ENDOGLUCANASE

(Talaromyces
verruculosus) 		PF00150
(Cellulase) 		5 VAL A 152
GLY A 176
SER A 180
ALA A 182
VAL A 174
 None
 1.45A 6hu9A-5i6sA:
undetectable
6hu9E-5i6sA:
undetectable
6hu9I-5i6sA:
undetectable		 6hu9A-5i6sA:
22.15
6hu9E-5i6sA:
19.81
6hu9I-5i6sA:
13.24
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.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 GLY A 270
SER A 272
ALA A 431
ASN A 168
VAL A 301
 None
None
None
NAD  A 700 ( 3.0A)
IAC  A 701 ( 4.1A)
 1.24A 6hu9A-5iuwA:
1.0
6hu9E-5iuwA:
undetectable
6hu9I-5iuwA:
undetectable		 6hu9A-5iuwA:
23.30
6hu9E-5iuwA:
15.97
6hu9I-5iuwA:
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.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 MET A 173
GLY A 270
SER A 272
ALA A 431
VAL A 301
 NAD  A 700 (-3.9A)
None
None
None
IAC  A 701 ( 4.1A)
 1.42A 6hu9A-5iuwA:
1.0
6hu9E-5iuwA:
undetectable
6hu9I-5iuwA:
undetectable		 6hu9A-5iuwA:
23.30
6hu9E-5iuwA:
15.97
6hu9I-5iuwA:
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.
5mjv CAPSID SUBUNIT VP1
CAPSID SUBUNIT VP3
CAPSID SUBUNIT VP0

(Parechovirus A;
Parechovirus A;
Parechovirus A) 		no annotation
no annotation
PF00073
(Rhv) 		5 ASP B 184
SER A  35
GLY C 178
ALA C 258
ASN C 213
 None
 1.40A 6hu9A-5mjvB:
undetectable
6hu9E-5mjvB:
undetectable
6hu9I-5mjvB:
undetectable		 6hu9A-5mjvB:
22.30
6hu9E-5mjvB:
21.62
6hu9I-5mjvB:
13.48
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.
5nb3 PHYCOERYTHRIN ALPHA
SUBUNIT,PHYCOERYTHRI
N ALPHA
SUBUNIT,PHYCOERYTHRI
N ALPHA SUBUNIT
PHYCOERYTHRIN BETA
SUBUNIT,PHYCOERYTHRI
N BETA SUBUNIT

(Phormidium
rubidum;
Phormidium
rubidum) 		PF00502
(Phycobilisome)
PF00502
(Phycobilisome) 		5 TYR M  93
VAL M 102
SER M   6
ALA M   8
VAL A   5
 None
None
None
None
MPD  M 204 (-4.4A)
 1.37A 6hu9A-5nb3M:
undetectable
6hu9E-5nb3M:
undetectable
6hu9I-5nb3M:
undetectable		 6hu9A-5nb3M:
18.50
6hu9E-5nb3M:
22.38
6hu9I-5nb3M:
17.42
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 VAL A 208
GLY A 210
ALA A 695
ASN A 220
VAL A 216
 None
 1.11A 6hu9A-5nqdA:
undetectable
6hu9E-5nqdA:
0.6
6hu9I-5nqdA:
undetectable		 6hu9A-5nqdA:
undetectable
6hu9E-5nqdA:
undetectable
6hu9I-5nqdA:
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 ASP A 358
SER A 357
VAL A 258
SER A  53
ALA A  49
 None
 1.03A 6hu9A-5nvaA:
undetectable
6hu9E-5nvaA:
undetectable
6hu9I-5nvaA:
undetectable		 6hu9A-5nvaA:
undetectable
6hu9E-5nvaA:
undetectable
6hu9I-5nvaA:
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 SER A 107
VAL A 380
GLY A 385
SER A 388
ALA A 391
 None
 1.38A 6hu9A-5nvaA:
undetectable
6hu9E-5nvaA:
undetectable
6hu9I-5nvaA:
undetectable		 6hu9A-5nvaA:
undetectable
6hu9E-5nvaA:
undetectable
6hu9I-5nvaA:
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.
5ohx CYSTATHIONINE
BETA-SYNTHASE

(Apis mellifera) 		no annotation 5 ASP A 180
GLY A 263
SER A 307
ALA A 310
ASN A 187
 None
PLP  A 702 (-3.7A)
PLP  A 702 (-3.0A)
None
PLP  A 702 ( 4.1A)
 0.94A 6hu9A-5ohxA:
undetectable
6hu9E-5ohxA:
undetectable
6hu9I-5ohxA:
undetectable		 6hu9A-5ohxA:
undetectable
6hu9E-5ohxA:
undetectable
6hu9I-5ohxA:
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.
5ohx CYSTATHIONINE
BETA-SYNTHASE

(Apis mellifera) 		no annotation 5 ASP A 180
GLY A 263
SER A 307
ALA A 311
ASN A 187
 None
PLP  A 702 (-3.7A)
PLP  A 702 (-3.0A)
None
PLP  A 702 ( 4.1A)
 1.41A 6hu9A-5ohxA:
undetectable
6hu9E-5ohxA:
undetectable
6hu9I-5ohxA:
undetectable		 6hu9A-5ohxA:
undetectable
6hu9E-5ohxA:
undetectable
6hu9I-5ohxA:
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.
5sx4 PANITUMUMAB FAB
HEAVY CHAIN
EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens;
Homo sapiens) 		no annotation
PF01030
(Recep_L_domain) 		5 ASP J 100
GLY M 471
SER M 474
ALA M 477
ASN J  60
 None
 1.32A 6hu9A-5sx4J:
undetectable
6hu9E-5sx4J:
undetectable
6hu9I-5sx4J:
undetectable		 6hu9A-5sx4J:
22.83
6hu9E-5sx4J:
20.50
6hu9I-5sx4J:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t43 LIPOCALIN-1

(Homo sapiens) 		PF00061
(Lipocalin) 		5 SER A  58
VAL A  24
GLY A 112
SER A 101
ALA A  86
 None
 1.19A 6hu9A-5t43A:
undetectable
6hu9E-5t43A:
undetectable
6hu9I-5t43A:
undetectable		 6hu9A-5t43A:
19.71
6hu9E-5t43A:
22.40
6hu9I-5t43A:
21.83
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 ASP A 264
GLY A 284
SER A  12
ALA A  16
ASN A 249
 None
FAD  A 401 (-3.3A)
FAD  A 401 (-4.4A)
None
None
 1.22A 6hu9A-5twbA:
undetectable
6hu9E-5twbA:
undetectable
6hu9I-5twbA:
undetectable		 6hu9A-5twbA:
21.59
6hu9E-5twbA:
20.06
6hu9I-5twbA:
12.46
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 VAL A 161
GLY A 177
SER A 180
ALA A 307
VAL A 269
 None
None
None
None
EDO  A 815 (-4.4A)
 1.36A 6hu9A-5v1wA:
0.7
6hu9E-5v1wA:
1.1
6hu9I-5v1wA:
undetectable		 6hu9A-5v1wA:
20.50
6hu9E-5v1wA:
12.35
6hu9I-5v1wA:
7.43
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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 5 TRP A 228
ASP A 184
TYR A  13
GLY A 412
ALA A 418
 None
 1.36A 6hu9A-5x3jA:
undetectable
6hu9E-5x3jA:
undetectable
6hu9I-5x3jA:
undetectable		 6hu9A-5x3jA:
undetectable
6hu9E-5x3jA:
undetectable
6hu9I-5x3jA:
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 5 TYR A 134
VAL A 104
SER A 292
ALA A 259
VAL A 100
 None
 1.39A 6hu9A-5xgwA:
undetectable
6hu9E-5xgwA:
undetectable
6hu9I-5xgwA:
undetectable		 6hu9A-5xgwA:
undetectable
6hu9E-5xgwA:
undetectable
6hu9I-5xgwA:
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.
5xn6 OS07G0580900 PROTEIN
OS02G0668100 PROTEIN

(Oryza sativa;
Oryza sativa) 		PF00348
(polyprenyl_synt)
PF00348
(polyprenyl_synt) 		5 ASP A  91
VAL C 115
GLY C 118
ALA C 125
VAL A 162
 None
 1.42A 6hu9A-5xn6A:
undetectable
6hu9E-5xn6A:
undetectable
6hu9I-5xn6A:
undetectable		 6hu9A-5xn6A:
20.63
6hu9E-5xn6A:
20.85
6hu9I-5xn6A:
13.27
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.
5xwb 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Colwellia
psychrerythraea) 		PF00275
(EPSP_synthase) 		5 ASP A 419
GLY A  20
SER A  25
ALA A  28
VAL A  46
 None
 1.40A 6hu9A-5xwbA:
undetectable
6hu9E-5xwbA:
undetectable
6hu9I-5xwbA:
undetectable		 6hu9A-5xwbA:
23.54
6hu9E-5xwbA:
18.43
6hu9I-5xwbA:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 SER A1664
TYR A1646
GLY A1690
SER A1694
VAL A1650
 None
 1.09A 6hu9A-5y29A:
undetectable
6hu9E-5y29A:
undetectable
6hu9I-5y29A:
undetectable		 6hu9A-5y29A:
undetectable
6hu9E-5y29A:
undetectable
6hu9I-5y29A:
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.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 5 SER A 187
MET A 185
VAL A  71
GLY A 134
ALA A 130
 None
 1.35A 6hu9A-6b5fA:
undetectable
6hu9E-6b5fA:
undetectable
6hu9I-6b5fA:
undetectable		 6hu9A-6b5fA:
21.35
6hu9E-6b5fA:
21.41
6hu9I-6b5fA:
10.82
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.
6c9m N-ALPHA-ACETYLTRANSF
ERASE 15, NATA
AUXILIARY SUBUNIT

(Homo sapiens) 		no annotation 5 ASP A  93
SER A  92
TYR A  66
VAL A  69
SER A  79
 None
 1.40A 6hu9A-6c9mA:
1.1
6hu9E-6c9mA:
3.3
6hu9I-6c9mA:
undetectable		 6hu9A-6c9mA:
undetectable
6hu9E-6c9mA:
undetectable
6hu9I-6c9mA:
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 SER A1027
TYR A1157
VAL A1107
ALA A1053
VAL A1116
 None
 1.45A 6hu9A-6eojA:
undetectable
6hu9E-6eojA:
undetectable
6hu9I-6eojA:
undetectable		 6hu9A-6eojA:
14.64
6hu9E-6eojA:
7.96
6hu9I-6eojA:
4.82
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.
6grw -

(-) 		no annotation 5 TYR A 121
VAL A 196
ALA A 276
ASN A 144
VAL A 199
 None
 1.35A 6hu9A-6grwA:
undetectable
6hu9E-6grwA:
undetectable
6hu9I-6grwA:
undetectable		 6hu9A-6grwA:
undetectable
6hu9E-6grwA:
undetectable
6hu9I-6grwA:
undetectable