SIMILAR PATTERNS OF AMINO ACIDS FOR 6HU9_H_PCFH604

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.
1a0j TRYPSIN

(Salmo salar) 		PF00089
(Trypsin) 		4 GLY A 216
GLY A 193
SER A 195
ALA A  55
 BEN  A 246 ( 3.9A)
SO4  A 248 (-3.8A)
SO4  A 248 ( 2.5A)
None
 0.79A 6hu9H-1a0jA:
0.0
6hu9e-1a0jA:
undetectable		 6hu9H-1a0jA:
17.33
6hu9e-1a0jA:
21.60
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.
1akc ASPARTATE
AMINOTRANSFERASE

(Gallus gallus) 		PF00155
(Aminotran_1_2) 		5 GLY A 261
VAL A 323
GLY A 268
SER A 255
ALA A 224
 None
None
None
PPE  A 411 ( 3.0A)
PPE  A 411 ( 3.6A)
 1.25A 6hu9H-1akcA:
0.0
6hu9e-1akcA:
0.4		 6hu9H-1akcA:
11.84
6hu9e-1akcA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1au8 CATHEPSIN G

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 216
VAL A 183
GLY A 193
SER A 195
ALA A  55
 0H8  A   1 (-4.2A)
None
0H8  A   1 (-3.4A)
0H8  A   1 (-1.5A)
None
 1.33A 6hu9H-1au8A:
0.0
6hu9e-1au8A:
undetectable		 6hu9H-1au8A:
16.59
6hu9e-1au8A:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1avb ARCELIN-1

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		4 GLY A  84
VAL A 120
GLY A 147
ALA A 154
 None
 0.72A 6hu9H-1avbA:
0.0
6hu9e-1avbA:
undetectable		 6hu9H-1avbA:
16.20
6hu9e-1avbA:
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.
1b4r PROTEIN (PKD1_HUMAN)

(Homo sapiens) 		PF00801
(PKD) 		4 GLY A  43
PHE A  40
GLY A  20
ALA A  23
 None
 0.63A 6hu9H-1b4rA:
0.0
6hu9e-1b4rA:
undetectable		 6hu9H-1b4rA:
23.40
6hu9e-1b4rA:
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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 542
PHE A 523
GLY A 576
SER A 578
ALA A 582
 None
 1.33A 6hu9H-1bhyA:
0.0
6hu9e-1bhyA:
undetectable		 6hu9H-1bhyA:
15.17
6hu9e-1bhyA:
15.33
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.
1bru ELASTASE

(Sus scrofa) 		PF00089
(Trypsin) 		4 GLY P 216
GLY P 193
SER P 195
ALA P  55
 1NB  P   1 ( 4.4A)
1NB  P   1 (-3.5A)
1NB  P   1 ( 1.2A)
None
 0.76A 6hu9H-1bruP:
0.0
6hu9e-1bruP:
undetectable		 6hu9H-1bruP:
18.33
6hu9e-1bruP:
18.15
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.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)

(Homo sapiens) 		PF00168
(C2)
PF01735
(PLA2_B) 		4 GLY A 369
PHE A 492
HIS A 490
GLY A 487
 None
 0.74A 6hu9H-1cjyA:
0.0
6hu9e-1cjyA:
undetectable		 6hu9H-1cjyA:
8.13
6hu9e-1cjyA:
11.24
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.
1coz PROTEIN
(GLYCEROL-3-PHOSPHAT
E
CYTIDYLYLTRANSFERASE
)

(Bacillus
subtilis) 		PF01467
(CTP_transf_like) 		4 GLY A  16
HIS A  17
GLY A  92
ALA A  24
 CTP  A 130 ( 4.1A)
CTP  A 130 (-3.7A)
CTP  A 130 (-3.3A)
None
 0.79A 6hu9H-1cozA:
undetectable
6hu9e-1cozA:
undetectable		 6hu9H-1cozA:
21.58
6hu9e-1cozA:
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.
1cp9 PENICILLIN G AMIDASE
PENICILLIN G AMIDASE

(Providencia
rettgeri;
Providencia
rettgeri) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 GLY B  39
PHE B  42
HIS B  38
GLY A  28
 None
 0.77A 6hu9H-1cp9B:
undetectable
6hu9e-1cp9B:
0.0		 6hu9H-1cp9B:
9.74
6hu9e-1cp9B:
13.58
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.
1db3 GDP-MANNOSE
4,6-DEHYDRATASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A 227
HIS A 186
VAL A 233
GLY A 321
ALA A 326
 None
 1.28A 6hu9H-1db3A:
undetectable
6hu9e-1db3A:
undetectable		 6hu9H-1db3A:
13.59
6hu9e-1db3A:
16.98
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.
1euf DUODENASE

(Bos taurus) 		PF00089
(Trypsin) 		4 GLY A 216
GLY A 193
SER A 195
ALA A  55
 None
 0.80A 6hu9H-1eufA:
undetectable
6hu9e-1eufA:
undetectable		 6hu9H-1eufA:
15.11
6hu9e-1eufA:
17.45
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.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16) 		5 GLY B  46
HIS B  49
VAL B 123
GLY B  37
ALA B 176
 None
 1.18A 6hu9H-1ezvB:
undetectable
6hu9e-1ezvB:
0.0		 6hu9H-1ezvB:
12.94
6hu9e-1ezvB:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f8f BENZYL ALCOHOL
DEHYDROGENASE

(Acinetobacter
calcoaceticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 169
VAL A 157
GLY A  64
SER A 144
ALA A 149
 None
 1.17A 6hu9H-1f8fA:
undetectable
6hu9e-1f8fA:
undetectable		 6hu9H-1f8fA:
13.31
6hu9e-1f8fA:
17.63
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.
1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)

(Clostridium
pasteurianum) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF12838
(Fer4_7)
PF13510
(Fer2_4) 		5 GLY A 507
VAL A 512
GLY A 418
SER A 232
ALA A 235
 None
None
HC1  A 580 ( 3.8A)
HC1  A 580 (-2.8A)
None
 1.26A 6hu9H-1fehA:
undetectable
6hu9e-1fehA:
0.7		 6hu9H-1fehA:
10.71
6hu9e-1fehA:
12.37
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.
1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)

(Clostridium
pasteurianum) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF12838
(Fer4_7)
PF13510
(Fer2_4) 		5 GLY A 508
VAL A 512
GLY A 418
SER A 232
ALA A 235
 None
None
HC1  A 580 ( 3.8A)
HC1  A 580 (-2.8A)
None
 1.28A 6hu9H-1fehA:
undetectable
6hu9e-1fehA:
0.7		 6hu9H-1fehA:
10.71
6hu9e-1fehA:
12.37
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.
1fft UBIQUINOL OXIDASE

(Escherichia
coli) 		PF00115
(COX1) 		5 GLY A 427
PHE A 387
VAL A 389
GLY A 435
ALA A 302
 None
 1.35A 6hu9H-1fftA:
undetectable
6hu9e-1fftA:
0.2		 6hu9H-1fftA:
9.39
6hu9e-1fftA:
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.
1fiw BETA-ACROSIN HEAVY
CHAIN

(Ovis aries) 		PF00089
(Trypsin) 		4 GLY A 216
GLY A 193
SER A 195
ALA A  55
 PBZ  A 305 (-3.4A)
None
PBZ  A 305 (-2.9A)
None
 0.76A 6hu9H-1fiwA:
undetectable
6hu9e-1fiwA:
undetectable		 6hu9H-1fiwA:
14.79
6hu9e-1fiwA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fiz BETA-ACROSIN HEAVY
CHAIN

(Sus scrofa) 		PF00089
(Trypsin) 		4 GLY A 216
GLY A 193
SER A 195
ALA A  55
 PBZ  A 308 (-3.6A)
None
PBZ  A 308 (-3.2A)
None
 0.78A 6hu9H-1fizA:
undetectable
6hu9e-1fizA:
undetectable		 6hu9H-1fizA:
12.98
6hu9e-1fizA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyn FRUCTOSE-BISPHOSPHAT
E ALDOLASE II

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		4 VAL A  77
GLY A  63
SER A  66
ALA A  69
 None
 0.67A 6hu9H-1gynA:
undetectable
6hu9e-1gynA:
undetectable		 6hu9H-1gynA:
12.07
6hu9e-1gynA:
16.82
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 GLY A 359
PHE A 259
GLY A 401
ALA A 741
 CA  A1100 ( 4.2A)
None
None
None
 0.66A 6hu9H-1h0hA:
undetectable
6hu9e-1h0hA:
0.0		 6hu9H-1h0hA:
7.38
6hu9e-1h0hA:
8.19
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.
1h21 SPLIT-SORET
CYTOCHROME C

(Desulfovibrio
desulfuricans) 		PF09719
(C_GCAxxG_C_C) 		4 GLY A  41
PHE A  46
GLY A 172
ALA A  48
 None
 0.69A 6hu9H-1h21A:
undetectable
6hu9e-1h21A:
undetectable		 6hu9H-1h21A:
16.67
6hu9e-1h21A:
20.16
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.
1hxh 3BETA/17BETA-HYDROXY
STEROID
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13561
(adh_short_C2) 		4 GLY A  89
GLY A 150
SER A 154
ALA A 157
 None
 0.76A 6hu9H-1hxhA:
undetectable
6hu9e-1hxhA:
undetectable		 6hu9H-1hxhA:
15.79
6hu9e-1hxhA:
19.17
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.
1ixk METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		4 GLY A  98
GLY A 131
SER A 134
ALA A 137
 None
 0.76A 6hu9H-1ixkA:
undetectable
6hu9e-1ixkA:
undetectable		 6hu9H-1ixkA:
16.94
6hu9e-1ixkA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j17 TRYPSIN II, ANIONIC

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 GLY T 216
VAL T 183
GLY T 193
SER T 195
ALA T  55
 ZEN  T   1 (-3.7A)
None
SO4  T 600 (-3.8A)
SO4  T 600 ( 2.6A)
None
 1.39A 6hu9H-1j17T:
undetectable
6hu9e-1j17T:
undetectable		 6hu9H-1j17T:
14.69
6hu9e-1j17T:
22.87
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 GLY A 420
PHE A 421
HIS A 486
GLY A 442
ALA A 470
 None
 1.42A 6hu9H-1jxkA:
undetectable
6hu9e-1jxkA:
undetectable		 6hu9H-1jxkA:
9.81
6hu9e-1jxkA:
11.84
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.
1kig FACTOR XA

(Bos taurus) 		PF00089
(Trypsin) 		4 GLY H 216
GLY H 193
SER H 195
ALA H  55
 None
 0.80A 6hu9H-1kigH:
undetectable
6hu9e-1kigH:
undetectable		 6hu9H-1kigH:
16.56
6hu9e-1kigH:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kij DNA GYRASE SUBUNIT B

(Thermus
thermophilus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 GLY A 118
HIS A 115
VAL A  19
GLY A 100
SER A  99
 None
 1.46A 6hu9H-1kijA:
undetectable
6hu9e-1kijA:
0.0		 6hu9H-1kijA:
13.33
6hu9e-1kijA:
16.32
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
CYTOCHROME B556(FDN)
SUBUNIT

(Escherichia
coli) 		PF01292
(Ni_hydr_CYTB) 		5 GLY C  61
PHE C  60
VAL C  21
GLY C  32
SER C  31
 HEM  C 809 (-3.5A)
None
None
HEM  C 809 (-3.4A)
None
 1.49A 6hu9H-1kqfC:
undetectable
6hu9e-1kqfC:
0.6		 6hu9H-1kqfC:
16.59
6hu9e-1kqfC:
15.21
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 GLY A 539
GLY A 555
SER A 558
ALA A 561
 PQQ  A 701 (-3.4A)
None
None
None
 0.57A 6hu9H-1lrwA:
undetectable
6hu9e-1lrwA:
0.0		 6hu9H-1lrwA:
8.97
6hu9e-1lrwA:
11.76
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.
1orf GRANZYME A

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY A 216
GLY A 193
SER A 195
ALA A  55
 0G6  A   1 (-3.3A)
0G6  A   1 (-3.6A)
0G6  A   1 (-1.3A)
None
 0.76A 6hu9H-1orfA:
undetectable
6hu9e-1orfA:
undetectable		 6hu9H-1orfA:
16.38
6hu9e-1orfA:
19.15
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.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 GLY A 425
PHE A 426
HIS A 491
GLY A 447
ALA A 475
 None
 1.39A 6hu9H-1oseA:
undetectable
6hu9e-1oseA:
undetectable		 6hu9H-1oseA:
11.09
6hu9e-1oseA:
14.00
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.
1qfw ANTIBODY (ANTI BETA
SUBUNIT) (HEAVY
CHAIN)
ANTIBODY (ANTI BETA
SUBUNIT) (LIGHT
CHAIN)

(Mus musculus;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 GLY I 300
PHE I 309
VAL I 311
GLY M 250
SER M 234
 None
 1.20A 6hu9H-1qfwI:
undetectable
6hu9e-1qfwI:
undetectable		 6hu9H-1qfwI:
20.57
6hu9e-1qfwI:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s2n EXTRACELLULAR
SUBTILISIN-LIKE
SERINE PROTEINASE

(Vibrio sp.
PA-44) 		PF00082
(Peptidase_S8) 		4 GLY A 121
VAL A 115
GLY A  28
ALA A 230
 None
 0.79A 6hu9H-1s2nA:
undetectable
6hu9e-1s2nA:
undetectable		 6hu9H-1s2nA:
18.99
6hu9e-1s2nA:
17.50
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.
1s70 130 KDA
MYOSIN-BINDING
SUBUNIT OF SMOOTH
MUSCLE MYOSIN
PHOPHATASE (M130)

(Gallus gallus) 		PF12796
(Ank_2) 		4 GLY B 133
HIS B 131
GLY B 106
ALA B 112
 None
 0.79A 6hu9H-1s70B:
undetectable
6hu9e-1s70B:
0.0		 6hu9H-1s70B:
16.43
6hu9e-1s70B:
18.24
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.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 GLY A 370
PHE A 392
VAL A 337
GLY A 179
ALA A 438
 OMN  A 601 (-3.5A)
OMN  A 601 (-3.6A)
None
None
FAD  A 600 (-3.7A)
 1.43A 6hu9H-1sezA:
undetectable
6hu9e-1sezA:
undetectable		 6hu9H-1sezA:
11.36
6hu9e-1sezA:
14.97
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.
1sk7 HYPOTHETICAL PROTEIN
PA-HO

(Pseudomonas
aeruginosa) 		PF01126
(Heme_oxygenase) 		4 GLY A  74
GLY A 157
SER A 160
ALA A 163
 None
 0.80A 6hu9H-1sk7A:
undetectable
6hu9e-1sk7A:
undetectable		 6hu9H-1sk7A:
16.67
6hu9e-1sk7A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		5 VAL A 164
GLY A  92
SER A  94
ALA A  97
LYS A  98
 None
 1.48A 6hu9H-1su7A:
undetectable
6hu9e-1su7A:
0.0		 6hu9H-1su7A:
8.79
6hu9e-1su7A:
10.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sxj ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1) 		4 GLY A 671
SER A 674
ALA A 677
LYS A 678
 None
 0.67A 6hu9H-1sxjA:
undetectable
6hu9e-1sxjA:
undetectable		 6hu9H-1sxjA:
11.69
6hu9e-1sxjA:
12.53
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.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		4 GLY A 141
GLY A 179
SER A 135
ALA A 134
 None
 0.80A 6hu9H-1uayA:
undetectable
6hu9e-1uayA:
undetectable		 6hu9H-1uayA:
16.45
6hu9e-1uayA:
18.70
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 GLY A  75
PHE A  76
GLY A  24
ALA A  31
 None
 0.70A 6hu9H-1ufaA:
undetectable
6hu9e-1ufaA:
1.6		 6hu9H-1ufaA:
11.66
6hu9e-1ufaA:
13.10
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.
1uj2 URIDINE-CYTIDINE
KINASE 2

(Homo sapiens) 		PF00485
(PRK) 		4 GLY A  32
SER A  35
ALA A  38
LYS A  39
 ADP  A2302 (-3.3A)
ADP  A2302 (-4.5A)
None
None
 0.70A 6hu9H-1uj2A:
undetectable
6hu9e-1uj2A:
undetectable		 6hu9H-1uj2A:
21.74
6hu9e-1uj2A:
21.51
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		4 GLY A 250
PHE A 191
VAL A 164
GLY A 224
 None
 0.77A 6hu9H-1v19A:
undetectable
6hu9e-1v19A:
undetectable		 6hu9H-1v19A:
15.93
6hu9e-1v19A:
18.86
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.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		4 GLY A 194
PHE A 193
VAL A 170
ALA A  55
 None
 0.80A 6hu9H-1vbfA:
undetectable
6hu9e-1vbfA:
undetectable		 6hu9H-1vbfA:
14.47
6hu9e-1vbfA:
19.50
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.
1w4m PLECKSTRIN

(Homo sapiens) 		PF00610
(DEP) 		4 GLY A  38
GLY A  74
SER A  77
ALA A  80
 None
 0.72A 6hu9H-1w4mA:
undetectable
6hu9e-1w4mA:
undetectable		 6hu9H-1w4mA:
18.27
6hu9e-1w4mA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 GLY A 258
PHE A 281
GLY A 172
ALA A 198
 None
 0.74A 6hu9H-1w6sA:
undetectable
6hu9e-1w6sA:
undetectable		 6hu9H-1w6sA:
9.48
6hu9e-1w6sA:
13.64
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.
1wmu HEMOGLOBIN A AND D
BETA CHAIN

(Aldabrachelys
gigantea) 		PF00042
(Globin) 		4 GLY B  72
PHE B  71
GLY B  21
ALA B  27
 None
HEM  B 201 ( 4.3A)
None
None
 0.78A 6hu9H-1wmuB:
undetectable
6hu9e-1wmuB:
undetectable		 6hu9H-1wmuB:
24.29
6hu9e-1wmuB:
23.70
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.
1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE

(Escherichia
coli) 		PF00171
(Aldedh) 		4 GLY A 349
GLY A 332
ALA A 338
LYS A 339
 None
 0.59A 6hu9H-1wnbA:
undetectable
6hu9e-1wnbA:
undetectable		 6hu9H-1wnbA:
10.14
6hu9e-1wnbA:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x7h PUTATIVE KETOACYL
REDUCTASE

(Streptomyces
coelicolor) 		PF00106
(adh_short) 		4 GLY A 150
GLY A 188
SER A 144
ALA A 143
 None
NDP  A 301 (-4.9A)
NDP  A 301 (-3.6A)
None
 0.78A 6hu9H-1x7hA:
undetectable
6hu9e-1x7hA:
undetectable		 6hu9H-1x7hA:
15.23
6hu9e-1x7hA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		5 GLY A 131
VAL A 167
GLY A 246
SER A 245
ALA A 243
 None
 1.43A 6hu9H-1xa0A:
undetectable
6hu9e-1xa0A:
undetectable		 6hu9H-1xa0A:
14.33
6hu9e-1xa0A:
18.40
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.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		4 GLY A 118
VAL A 158
SER A  73
ALA A  76
 None
 0.63A 6hu9H-1ybfA:
undetectable
6hu9e-1ybfA:
undetectable		 6hu9H-1ybfA:
16.23
6hu9e-1ybfA:
18.71
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.
1yp0 NUCLEAR RECEPTOR
SUBFAMILY 5, GROUP
A, MEMBER 1

(Mus musculus) 		PF00104
(Hormone_recep) 		4 GLY A 342
HIS A 346
VAL A 349
ALA A 261
 PEF  A 201 (-3.5A)
None
PEF  A 201 ( 4.7A)
None
 0.76A 6hu9H-1yp0A:
undetectable
6hu9e-1yp0A:
undetectable		 6hu9H-1yp0A:
13.85
6hu9e-1yp0A:
20.75
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.
2aa4 PUTATIVE
N-ACETYLMANNOSAMINE
KINASE

(Escherichia
coli) 		PF00480
(ROK) 		4 GLY A 135
VAL A 138
GLY A 241
ALA A 277
 None
 0.75A 6hu9H-2aa4A:
undetectable
6hu9e-2aa4A:
0.4		 6hu9H-2aa4A:
13.17
6hu9e-2aa4A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bmb FOLIC ACID SYNTHESIS
PROTEIN FOL1

(Saccharomyces
cerevisiae) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		4 VAL A 747
SER A 640
ALA A 643
LYS A 644
 None
 0.60A 6hu9H-2bmbA:
undetectable
6hu9e-2bmbA:
0.9		 6hu9H-2bmbA:
11.64
6hu9e-2bmbA:
13.91
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 PHE A 625
HIS A 525
GLY A 681
SER A 523
ALA A 370
 None
None
None
None
PAQ  A 471 ( 3.2A)
 1.19A 6hu9H-2c11A:
undetectable
6hu9e-2c11A:
undetectable		 6hu9H-2c11A:
8.31
6hu9e-2c11A:
13.76
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.
2d7u ADENYLOSUCCINATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00709
(Adenylsucc_synt) 		4 GLY A 326
GLY A  15
SER A  18
ALA A  21
 None
 0.42A 6hu9H-2d7uA:
undetectable
6hu9e-2d7uA:
undetectable		 6hu9H-2d7uA:
12.23
6hu9e-2d7uA:
16.82
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.
2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Pseudomonas sp.
B-0831) 		PF13561
(adh_short_C2) 		5 GLY A  73
GLY A 184
SER A 114
ALA A 117
LYS A 157
 None
NAI  A4000 (-4.8A)
NAI  A4000 (-3.5A)
None
NAI  A4000 (-2.8A)
 1.48A 6hu9H-2dknA:
undetectable
6hu9e-2dknA:
undetectable		 6hu9H-2dknA:
12.96
6hu9e-2dknA:
18.40
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.
2e28 PYRUVATE KINASE

(Geobacillus
stearothermophilus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		4 GLY A  39
PHE A  36
HIS A  38
GLY A  12
 None
 0.80A 6hu9H-2e28A:
undetectable
6hu9e-2e28A:
undetectable		 6hu9H-2e28A:
8.88
6hu9e-2e28A:
12.93
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.
2f2b AQUAPORIN AQPM

(Methanothermobacter
marburgensis) 		PF00230
(MIP) 		4 GLY A 131
VAL A  28
GLY A 205
SER A 115
 None
 0.79A 6hu9H-2f2bA:
undetectable
6hu9e-2f2bA:
undetectable		 6hu9H-2f2bA:
16.43
6hu9e-2f2bA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 175
VAL A 192
GLY A  50
SER A 262
ALA A 263
 NAD  A5555 (-3.7A)
None
NAD  A5555 (-3.5A)
NAD  A5555 (-2.9A)
None
 1.10A 6hu9H-2fknA:
undetectable
6hu9e-2fknA:
undetectable		 6hu9H-2fknA:
12.20
6hu9e-2fknA:
12.43
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.
2fx5 LIPASE

(Pseudomonas
mendocina) 		no annotation 4 VAL A  51
GLY A 129
SER A 132
ALA A 135
 None
 0.71A 6hu9H-2fx5A:
undetectable
6hu9e-2fx5A:
undetectable		 6hu9H-2fx5A:
14.29
6hu9e-2fx5A:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gpj SIDEROPHORE-INTERACT
ING PROTEIN

(Shewanella
putrefaciens) 		PF04954
(SIP)
PF08021
(FAD_binding_9) 		4 GLY A  81
SER A  84
ALA A  87
LYS A  88
 FAD  A 500 (-3.4A)
FAD  A 500 (-3.2A)
None
None
 0.62A 6hu9H-2gpjA:
undetectable
6hu9e-2gpjA:
undetectable		 6hu9H-2gpjA:
15.48
6hu9e-2gpjA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		5 GLY A 231
HIS A 270
GLY A 277
SER A 107
ALA A 111
 SUC  A 290 ( 4.5A)
SUC  A 290 ( 3.9A)
None
None
None
 1.21A 6hu9H-2gupA:
undetectable
6hu9e-2gupA:
undetectable		 6hu9H-2gupA:
16.44
6hu9e-2gupA:
17.93
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.
2h3g BIOSYNTHETIC PROTEIN

(Bacillus
anthracis) 		PF03309
(Pan_kinase) 		4 GLY X 195
GLY X 153
SER X 157
ALA X 160
 None
 0.74A 6hu9H-2h3gX:
undetectable
6hu9e-2h3gX:
undetectable		 6hu9H-2h3gX:
18.03
6hu9e-2h3gX:
19.78
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 180
VAL A 246
GLY A 152
SER A 155
ALA A 158
 None
 1.43A 6hu9H-2h6eA:
undetectable
6hu9e-2h6eA:
undetectable		 6hu9H-2h6eA:
13.49
6hu9e-2h6eA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hro PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
carnosus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		4 GLY A  46
PHE A  44
GLY A 144
ALA A 102
 None
 0.79A 6hu9H-2hroA:
undetectable
6hu9e-2hroA:
undetectable		 6hu9H-2hroA:
8.91
6hu9e-2hroA:
13.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i14 NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 GLY A 155
VAL A 159
GLY A  79
ALA A 112
 None
 0.73A 6hu9H-2i14A:
undetectable
6hu9e-2i14A:
undetectable		 6hu9H-2i14A:
13.07
6hu9e-2i14A:
14.44
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.
2ibp CITRATE SYNTHASE

(Pyrobaculum
aerophilum) 		PF00285
(Citrate_synt) 		4 VAL A 330
GLY A  44
ALA A 299
LYS A 300
 None
 0.61A 6hu9H-2ibpA:
undetectable
6hu9e-2ibpA:
undetectable		 6hu9H-2ibpA:
12.23
6hu9e-2ibpA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ie8 PHOSPHOGLYCERATE
KINASE

(Thermus
caldophilus) 		PF00162
(PGK) 		4 GLY A 192
GLY A 346
SER A 350
ALA A 353
 None
 0.80A 6hu9H-2ie8A:
undetectable
6hu9e-2ie8A:
undetectable		 6hu9H-2ie8A:
11.48
6hu9e-2ie8A:
14.80
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.
2is8 MOLYBDOPTERIN
BIOSYNTHESIS ENZYME,
MOAB

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth) 		4 GLY A 115
GLY A 134
SER A 138
ALA A 141
 None
 0.76A 6hu9H-2is8A:
undetectable
6hu9e-2is8A:
undetectable		 6hu9H-2is8A:
18.06
6hu9e-2is8A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 GLY A 594
PHE A 591
VAL A 788
ALA A 583
 None
 0.79A 6hu9H-2jgdA:
undetectable
6hu9e-2jgdA:
undetectable		 6hu9H-2jgdA:
7.10
6hu9e-2jgdA:
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLY A 163
VAL A 153
GLY A  60
ALA A  66
 None
 0.61A 6hu9H-2ji9A:
undetectable
6hu9e-2ji9A:
undetectable		 6hu9H-2ji9A:
9.09
6hu9e-2ji9A:
12.59
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.
2m47 UNCHARACTERIZED
PROTEIN CGL2373

(Corynebacterium
glutamicum) 		PF10604
(Polyketide_cyc2) 		4 GLY A  51
HIS A  53
GLY A  87
SER A  83
 None
 0.71A 6hu9H-2m47A:
undetectable
6hu9e-2m47A:
undetectable		 6hu9H-2m47A:
19.25
6hu9e-2m47A:
17.16
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.
2mpk CHITIN SYNTHASE 1

(Saprolegnia
monoica) 		PF04212
(MIT) 		4 GLY A  33
PHE A  30
GLY A   2
ALA A  10
 None
 0.77A 6hu9H-2mpkA:
undetectable
6hu9e-2mpkA:
undetectable		 6hu9H-2mpkA:
23.86
6hu9e-2mpkA:
17.78
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		5 GLY A 171
PHE A  89
VAL A 198
SER A 121
ALA A 120
 None
 1.37A 6hu9H-2o7rA:
undetectable
6hu9e-2o7rA:
undetectable		 6hu9H-2o7rA:
13.59
6hu9e-2o7rA:
15.63
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		5 GLY A 324
PHE A 294
VAL A 292
GLY A 329
SER A 298
 None
None
None
None
GUN  A 600 ( 4.6A)
 1.34A 6hu9H-2oodA:
undetectable
6hu9e-2oodA:
undetectable		 6hu9H-2oodA:
10.29
6hu9e-2oodA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 PHE A 183
VAL A 148
GLY A 225
SER A 199
ALA A 201
 None
 1.34A 6hu9H-2p4zA:
undetectable
6hu9e-2p4zA:
undetectable		 6hu9H-2p4zA:
14.44
6hu9e-2p4zA:
17.48
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.
2p9b POSSIBLE PROLIDASE

(Bifidobacterium
longum) 		PF01979
(Amidohydro_1) 		4 GLY A 209
HIS A 266
GLY A 252
SER A 249
 None
 0.80A 6hu9H-2p9bA:
undetectable
6hu9e-2p9bA:
undetectable		 6hu9H-2p9bA:
9.61
6hu9e-2p9bA:
15.80
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.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 PHE A 624
HIS A 524
GLY A 680
SER A 522
ALA A 369
 None
None
None
None
CLU  A 808 (-3.4A)
 1.14A 6hu9H-2pncA:
undetectable
6hu9e-2pncA:
undetectable		 6hu9H-2pncA:
9.17
6hu9e-2pncA:
12.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q2v BETA-D-HYDROXYBUTYRA
TE DEHYDROGENASE

(Pseudomonas
putida) 		PF00106
(adh_short) 		4 GLY A 145
GLY A 183
SER A 139
ALA A 138
 None
 0.76A 6hu9H-2q2vA:
undetectable
6hu9e-2q2vA:
undetectable		 6hu9H-2q2vA:
16.06
6hu9e-2q2vA:
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.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		5 GLY A 171
VAL A 141
GLY A 254
SER A 260
ALA A 264
 None
 1.38A 6hu9H-2qtyA:
undetectable
6hu9e-2qtyA:
undetectable		 6hu9H-2qtyA:
12.72
6hu9e-2qtyA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		4 GLY A2027
VAL A1454
GLY A2061
SER A2021
 None
None
None
NAP  A3002 (-3.4A)
 0.80A 6hu9H-2vz9A:
undetectable
6hu9e-2vz9A:
undetectable		 6hu9H-2vz9A:
3.08
6hu9e-2vz9A:
4.33
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.
2w6l COBE

(Pseudomonas
aeruginosa) 		PF01890
(CbiG_C) 		4 GLY A  50
GLY A  14
SER A  47
ALA A  46
 GOL  A1141 (-4.5A)
SO4  A1138 ( 3.7A)
None
None
 0.75A 6hu9H-2w6lA:
undetectable
6hu9e-2w6lA:
undetectable		 6hu9H-2w6lA:
16.90
6hu9e-2w6lA:
20.53
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.
2wfx HEDGEHOG-INTERACTING
PROTEIN

(Homo sapiens) 		PF07995
(GSDH) 		4 GLY B 512
GLY B 433
SER B 453
ALA B 463
 None
CA  B1670 ( 4.7A)
None
None
 0.73A 6hu9H-2wfxB:
undetectable
6hu9e-2wfxB:
undetectable		 6hu9H-2wfxB:
10.98
6hu9e-2wfxB:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xd4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Bacillus
subtilis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A  10
PHE A 359
GLY A 229
SER A 328
ALA A 326
 None
 1.49A 6hu9H-2xd4A:
undetectable
6hu9e-2xd4A:
undetectable		 6hu9H-2xd4A:
14.02
6hu9e-2xd4A:
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.
2zfb HEMOGLOBIN SUBUNIT
ALPHA

(Psittacula
krameri) 		PF00042
(Globin) 		4 GLY A  19
GLY A  64
SER A  67
ALA A  70
 None
 0.69A 6hu9H-2zfbA:
undetectable
6hu9e-2zfbA:
undetectable		 6hu9H-2zfbA:
20.14
6hu9e-2zfbA:
18.71
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.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		4 GLY A 143
VAL A 151
GLY A 128
SER A 126
 None
 0.80A 6hu9H-2zwrA:
undetectable
6hu9e-2zwrA:
undetectable		 6hu9H-2zwrA:
15.20
6hu9e-2zwrA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 GLY A  10
VAL A  81
GLY A 153
SER A 154
ALA A 158
 None
 1.40A 6hu9H-3ab4A:
undetectable
6hu9e-3ab4A:
undetectable		 6hu9H-3ab4A:
11.44
6hu9e-3ab4A:
14.42
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 GLY A   7
GLY A  74
SER A  77
ALA A  80
 NAD  A1001 ( 3.8A)
None
None
None
 0.76A 6hu9H-3abiA:
undetectable
6hu9e-3abiA:
undetectable		 6hu9H-3abiA:
18.75
6hu9e-3abiA:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		4 GLY B 356
PHE B 357
GLY B  32
ALA B 176
 FAD  B   1 (-3.0A)
None
None
None
 0.73A 6hu9H-3adaB:
undetectable
6hu9e-3adaB:
undetectable		 6hu9H-3adaB:
10.50
6hu9e-3adaB:
16.58
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		4 GLY A 434
PHE A 421
GLY A  80
ALA A  74
 None
 0.73A 6hu9H-3ayfA:
undetectable
6hu9e-3ayfA:
undetectable		 6hu9H-3ayfA:
7.27
6hu9e-3ayfA:
10.15
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		4 GLY A 437
GLY A 257
SER A 259
ALA A 260
 None
 0.76A 6hu9H-3b4wA:
undetectable
6hu9e-3b4wA:
undetectable		 6hu9H-3b4wA:
10.99
6hu9e-3b4wA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3beu TRYPSIN

(Streptomyces
griseus) 		PF00089
(Trypsin) 		4 GLY A 216
GLY A 193
SER A 195
ALA A  55
 BEN  A 247 (-3.7A)
SO4  A 246 (-3.6A)
SO4  A 246 ( 2.5A)
None
 0.79A 6hu9H-3beuA:
undetectable
6hu9e-3beuA:
undetectable		 6hu9H-3beuA:
17.06
6hu9e-3beuA:
20.64
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.
3c1o EUGENOL SYNTHASE

(Clarkia breweri) 		PF05368
(NmrA) 		5 GLY A 112
PHE A 111
VAL A 210
GLY A 154
ALA A 193
 NAP  A 401 ( 3.7A)
None
None
None
None
 1.24A 6hu9H-3c1oA:
undetectable
6hu9e-3c1oA:
undetectable		 6hu9H-3c1oA:
13.38
6hu9e-3c1oA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clh 3-DEHYDROQUINATE
SYNTHASE

(Helicobacter
pylori) 		PF01761
(DHQ_synthase) 		5 GLY A 130
VAL A  15
GLY A  95
SER A  98
ALA A  91
 None
None
NAD  A 400 (-3.2A)
None
None
 1.38A 6hu9H-3clhA:
undetectable
6hu9e-3clhA:
undetectable		 6hu9H-3clhA:
14.33
6hu9e-3clhA:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		5 GLY A 413
VAL A 298
GLY A 421
SER A 450
ALA A 452
 None
 1.43A 6hu9H-3cuxA:
undetectable
6hu9e-3cuxA:
0.9		 6hu9H-3cuxA:
14.32
6hu9e-3cuxA:
14.20
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		4 GLY A 180
GLY A 162
SER A 166
ALA A 169
 None
 0.78A 6hu9H-3dcpA:
undetectable
6hu9e-3dcpA:
undetectable		 6hu9H-3dcpA:
16.54
6hu9e-3dcpA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum) 		PF12146
(Hydrolase_4) 		5 GLY A  97
VAL A 178
GLY A  87
SER A 111
ALA A 190
 None
 1.44A 6hu9H-3e0xA:
undetectable
6hu9e-3e0xA:
undetectable		 6hu9H-3e0xA:
18.86
6hu9e-3e0xA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		4 VAL A 210
GLY A 242
SER A 173
ALA A 181
 None
 0.74A 6hu9H-3fcjA:
undetectable
6hu9e-3fcjA:
undetectable		 6hu9H-3fcjA:
13.19
6hu9e-3fcjA:
15.33
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		4 GLY A 215
PHE A 216
GLY A 161
ALA A 229
 None
 0.76A 6hu9H-3fdgA:
undetectable
6hu9e-3fdgA:
undetectable		 6hu9H-3fdgA:
12.46
6hu9e-3fdgA:
15.73