SIMILAR PATTERNS OF AMINO ACIDS FOR 3N8Z_A_FLPA701

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.
1au8 CATHEPSIN G

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A  52
LEU A  68
ALA A  85
SER A 109
LEU A 108
 None
 0.77A 3n8zA-1au8A:
0.0		 3n8zA-1au8A:
18.43
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.
1cfz HYDROGENASE 2
MATURATION PROTEASE

(Escherichia
coli) 		PF01750
(HycI) 		5 VAL A  82
LEU A  48
LEU A  58
GLY A  96
LEU A 101
 None
 1.02A 3n8zA-1cfzA:
undetectable		 3n8zA-1cfzA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1civ NADP-MALATE
DEHYDROGENASE

(Flaveria
bidentis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  91
LEU A  95
GLY A  49
ALA A  50
LEU A  78
 None
None
NAP  A 386 (-3.2A)
NAP  A 386 (-4.9A)
None
 1.07A 3n8zA-1civA:
0.0		 3n8zA-1civA:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 VAL A 116
ARG A 120
VAL A 349
LEU A 352
TYR A 355
LEU A 359
TYR A 385
TRP A 387
GLY A 526
ALA A 527
LEU A 531
 None
SCL  A 700 (-3.9A)
SCL  A 700 ( 4.6A)
SCL  A 700 ( 4.8A)
SCL  A 700 (-4.3A)
None
None
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.35A 3n8zA-1ebvA:
61.5		 3n8zA-1ebvA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4w TRYPSIN IVA

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A  52
LEU A  67
ALA A  85
SER A 109
LEU A 108
 None
 0.93A 3n8zA-1h4wA:
undetectable		 3n8zA-1h4wA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hpg GLUTAMIC ACID
SPECIFIC PROTEASE

(Streptomyces
griseus) 		no annotation 5 VAL A  48
VAL A 231
LEU A 235
GLY A 197
ALA A  45
 None
 1.05A 3n8zA-1hpgA:
0.0		 3n8zA-1hpgA:
15.41
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.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		5 VAL A  59
LEU A  28
GLY A  39
ALA A  40
LEU A  36
 None
 1.01A 3n8zA-1i8dA:
0.0		 3n8zA-1i8dA:
17.26
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.
1j17 TRYPSIN II, ANIONIC

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 VAL T  52
LEU T  68
ALA T  85
SER T 109
LEU T 108
 None
 0.95A 3n8zA-1j17T:
undetectable		 3n8zA-1j17T:
16.55
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.
1jy1 TYROSYL-DNA
PHOSPHODIESTERASE

(Homo sapiens) 		PF06087
(Tyr-DNA_phospho) 		5 VAL A 227
TYR A 537
ALA A 332
SER A 334
LEU A 335
 None
 0.82A 3n8zA-1jy1A:
undetectable		 3n8zA-1jy1A:
20.76
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.
1l8w VLSE1

(Borreliella
burgdorferi) 		PF00921
(Lipoprotein_2) 		5 VAL A 332
LEU A  81
GLY A 179
ALA A 178
LEU A 125
 None
 0.95A 3n8zA-1l8wA:
undetectable		 3n8zA-1l8wA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp. R1128) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A  14
LEU A 314
LEU A 298
GLY A 184
LEU A 128
 None
 1.07A 3n8zA-1mzjA:
undetectable		 3n8zA-1mzjA:
19.65
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.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU C  51
LEU C  21
GLY C  33
ALA C  32
LEU C  54
 None
None
FAD  C3932 (-3.4A)
FAD  C3932 (-3.5A)
None
 1.07A 3n8zA-1n61C:
3.0		 3n8zA-1n61C:
19.67
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.
1nfi I-KAPPA-B-ALPHA

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 VAL E  97
LEU E 115
LEU E  78
GLY E 132
ALA E 133
 None
 0.91A 3n8zA-1nfiE:
undetectable		 3n8zA-1nfiE:
17.20
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.
1nr9 PROTEIN YCGM

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		6 VAL A  19
LEU A  54
TYR A   2
GLY A  97
ALA A  74
LEU A 189
 None
 1.26A 3n8zA-1nr9A:
undetectable		 3n8zA-1nr9A:
16.42
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.
1od6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Thermus
thermophilus) 		PF01467
(CTP_transf_like) 		5 VAL A 146
LEU A 145
GLY A 140
ALA A 136
LEU A 154
 None
 1.05A 3n8zA-1od6A:
undetectable		 3n8zA-1od6A:
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 VAL A 558
VAL A 606
LEU A 615
GLY A 593
LEU A 560
 None
 0.88A 3n8zA-1ps9A:
undetectable		 3n8zA-1ps9A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhg ATP-DEPENDENT
HELICASE PCRA

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  40
LEU A  41
GLY A 250
ALA A  31
LEU A 282
 None
 1.02A 3n8zA-1qhgA:
undetectable		 3n8zA-1qhgA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhh PROTEIN (PCRA
(SUBUNIT))

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  40
LEU A  41
GLY B 250
ALA A  31
LEU B 282
 None
 1.03A 3n8zA-1qhhA:
undetectable		 3n8zA-1qhhA:
14.78
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.
1txo PUTATIVE BACTERIAL
ENZYME

(Mycobacterium
tuberculosis) 		PF13672
(PP2C_2) 		5 VAL A  53
VAL A 114
LEU A 175
ALA A  76
LEU A  57
 None
 1.04A 3n8zA-1txoA:
undetectable		 3n8zA-1txoA:
16.76
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.
1uhb TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 VAL A  52
LEU A  67
ALA A  85
SER A 109
LEU A 108
 None
 0.98A 3n8zA-1uhbA:
undetectable		 3n8zA-1uhbA:
12.80
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.
1ynq OXIDOREDUCTASE

(Bacillus
halodurans) 		PF00248
(Aldo_ket_red) 		5 VAL A 270
VAL A 195
TYR A  51
GLY A 256
ALA A 255
 None
None
SO4  A 300 ( 4.9A)
SO4  A 300 (-3.8A)
SO4  A 300 (-4.0A)
 0.84A 3n8zA-1ynqA:
undetectable		 3n8zA-1ynqA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 VAL A  47
LEU A  10
GLY A  13
ALA A  14
LEU A  23
 None
 0.85A 3n8zA-2a4kA:
undetectable		 3n8zA-2a4kA:
19.10
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 VAL A 123
LEU A 143
GLY A 111
ALA A 110
LEU A 105
 None
 1.03A 3n8zA-2a7mA:
undetectable		 3n8zA-2a7mA:
16.40
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.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 VAL A  42
GLY A  87
ALA A  88
SER A  91
LEU A  92
 None
 0.93A 3n8zA-2dieA:
undetectable		 3n8zA-2dieA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		5 VAL A 274
LEU A 273
GLY A 236
ALA A 235
SER A 290
 None
 1.04A 3n8zA-2ftpA:
undetectable		 3n8zA-2ftpA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 VAL A  76
LEU A  45
GLY A  63
ALA A  52
LEU A 106
 None
 1.07A 3n8zA-2gahA:
undetectable		 3n8zA-2gahA:
19.27
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.
2gdz NAD+-DEPENDENT
15-HYDROXYPROSTAGLAN
DIN DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 VAL A  32
LEU A  49
GLY A  12
ALA A  13
LEU A  34
 None
None
NAD  A 300 (-3.3A)
None
None
 1.05A 3n8zA-2gdzA:
undetectable		 3n8zA-2gdzA:
18.56
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.
2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA

(Homo sapiens) 		PF01504
(PIP5K) 		5 LEU A 126
TYR A 189
GLY A  54
ALA A  56
SER A  58
 None
 0.95A 3n8zA-2gk9A:
undetectable		 3n8zA-2gk9A:
21.84
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.
2lnj PUTATIVE
UNCHARACTERIZED
PROTEIN SLL1418

(Synechocystis
sp. PCC 6803) 		PF01789
(PsbP) 		5 VAL A 152
LEU A  92
GLY A  61
SER A  81
LEU A 159
 None
 0.89A 3n8zA-2lnjA:
undetectable		 3n8zA-2lnjA:
15.19
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.
2o8s AGR_C_984P

(Agrobacterium
fabrum) 		PF06748
(DUF1217) 		5 LEU A 157
LEU A 162
TYR A  88
GLY A 175
ALA A 171
 None
 0.97A 3n8zA-2o8sA:
undetectable		 3n8zA-2o8sA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pjr PROTEIN (HELICASE
PCRA)

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  40
LEU A  41
GLY A 250
ALA A  31
LEU A 282
 None
 0.99A 3n8zA-2pjrA:
2.6		 3n8zA-2pjrA:
20.59
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.
2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B

(Spinacia
oleracea) 		PF00044
(Gp_dh_N)
PF02672
(CP12)
PF02800
(Gp_dh_C) 		5 VAL O 273
VAL O 160
GLY O 265
ALA O 263
LEU O 271
 None
 1.07A 3n8zA-2pkqO:
undetectable		 3n8zA-2pkqO:
19.57
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.
2wgy CYTOCHROME P450 130

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 VAL A  90
VAL A 290
LEU A 293
GLY A 244
ALA A 243
 HEM  A 450 (-3.2A)
HEM  A 450 (-4.6A)
HEM  A 450 (-4.4A)
HEM  A 450 (-3.4A)
HEM  A 450 (-3.5A)
 1.01A 3n8zA-2wgyA:
undetectable		 3n8zA-2wgyA:
21.05
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.
2ywd GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermus
thermophilus) 		PF01174
(SNO) 		5 VAL A 107
VAL A 161
LEU A 160
GLY A  79
ALA A  84
 None
 1.07A 3n8zA-2ywdA:
undetectable		 3n8zA-2ywdA:
16.00
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.
2ywd GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermus
thermophilus) 		PF01174
(SNO) 		5 VAL A 161
LEU A 160
LEU A 144
GLY A  79
LEU A 103
 None
 1.02A 3n8zA-2ywdA:
undetectable		 3n8zA-2ywdA:
16.00
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.
3emk GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 VAL A  33
LEU A  50
GLY A  13
ALA A  14
LEU A  35
 None
 0.98A 3n8zA-3emkA:
undetectable		 3n8zA-3emkA:
17.40
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.
3f6t ASPARTATE
AMINOTRANSFERASE

(Lactobacillus
acidophilus) 		PF00155
(Aminotran_1_2) 		5 VAL A 489
VAL A 517
LEU A 518
LEU A 477
LEU A 498
 None
 1.05A 3n8zA-3f6tA:
2.2		 3n8zA-3f6tA:
22.03
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.
3grp 3-OXOACYL-(ACYL
CARRIERPROTEIN)
REDUCTASE

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		5 VAL A  33
LEU A  50
GLY A  13
ALA A  14
LEU A  35
 None
 1.02A 3n8zA-3grpA:
undetectable		 3n8zA-3grpA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 VAL A 200
VAL A 251
LEU A 253
GLY A 182
LEU A 207
 None
 1.04A 3n8zA-3gxoA:
undetectable		 3n8zA-3gxoA:
20.87
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.
3hhf TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		no annotation 5 VAL B 237
LEU B 191
LEU B 239
GLY B 233
LEU B 253
 None
 0.95A 3n8zA-3hhfB:
undetectable		 3n8zA-3hhfB:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhg TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 VAL A 237
LEU A 191
LEU A 239
GLY A 233
LEU A 253
 None
 0.98A 3n8zA-3hhgA:
undetectable		 3n8zA-3hhgA:
18.89
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.
3i32 HEAT RESISTANT RNA
DEPENDENT ATPASE

(Thermus
thermophilus) 		PF00271
(Helicase_C) 		5 VAL A 339
VAL A 228
LEU A 232
GLY A 343
LEU A 341
 None
 1.04A 3n8zA-3i32A:
undetectable		 3n8zA-3i32A:
18.48
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.
3ifq PLAKOGLOBIN

(Homo sapiens) 		PF00514
(Arm) 		5 VAL A 523
LEU A 510
GLY A 565
ALA A 566
LEU A 570
 None
 0.92A 3n8zA-3ifqA:
undetectable		 3n8zA-3ifqA:
22.26
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.
3khn MOTB PROTEIN,
PUTATIVE

(Desulfovibrio
vulgaris) 		PF00691
(OmpA) 		5 VAL A 116
VAL A  49
GLY A  65
ALA A  66
LEU A  70
 None
 0.88A 3n8zA-3khnA:
undetectable		 3n8zA-3khnA:
17.58
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.
3l57 MOBILIZATION PROTEIN
TRAI

(Escherichia
coli) 		PF08751
(TrwC) 		5 VAL A  93
TYR A 208
LEU A 210
ALA A 108
LEU A 199
 None
None
EDO  A 317 ( 4.1A)
EDO  A 305 (-3.7A)
None
 1.05A 3n8zA-3l57A:
1.5		 3n8zA-3l57A:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3la2 GLOBAL NITROGEN
REGULATOR

(Nostoc sp. PCC
7120) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 VAL A 108
LEU A 112
GLY A  76
SER A  79
LEU A  80
 None
None
AKG  A 224 (-3.1A)
None
None
 0.94A 3n8zA-3la2A:
undetectable		 3n8zA-3la2A:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lfu DNA HELICASE II

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  38
LEU A  39
GLY A 247
ALA A  29
LEU A 279
 None
 1.04A 3n8zA-3lfuA:
undetectable		 3n8zA-3lfuA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mf9 ENDO-1,4-BETA-XYLANA
SE

(Thermopolyspora
flexuosa) 		PF00457
(Glyco_hydro_11) 		5 VAL A  28
TYR A 171
GLY A  51
ALA A  50
SER A  19
 None
 1.02A 3n8zA-3mf9A:
undetectable		 3n8zA-3mf9A:
14.83
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		5 ARG A 105
LEU A  56
GLY A 307
ALA A 308
LEU A  48
 FAD  A 501 (-2.6A)
None
FAD  A 501 (-3.0A)
FAD  A 501 (-3.0A)
None
 0.92A 3n8zA-3nixA:
undetectable		 3n8zA-3nixA:
18.97
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.
3r5g CYAB

(Pseudomonas
aeruginosa) 		PF00211
(Guanylate_cyc) 		5 LEU A 228
TYR A 336
GLY A 291
ALA A 292
LEU A 381
 None
 1.05A 3n8zA-3r5gA:
2.3		 3n8zA-3r5gA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tfy N-ALPHA-ACETYLTRANSF
ERASE 50, NATE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		5 VAL A  11
TYR A  36
TYR A  50
GLY A  57
ALA A  58
 None
 0.97A 3n8zA-3tfyA:
undetectable		 3n8zA-3tfyA:
14.60
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.
3ugm TAL EFFECTOR
AVRBS3/PTHA

(Xanthomonas
oryzae) 		PF03377
(TAL_effector) 		5 LEU A 748
LEU A 730
GLY A 778
ALA A 773
SER A 774
 None
 1.08A 3n8zA-3ugmA:
undetectable		 3n8zA-3ugmA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		5 VAL A  10
TYR A  71
GLY A  21
ALA A  22
LEU A  26
 None
 0.94A 3n8zA-3ukfA:
undetectable		 3n8zA-3ukfA:
20.93
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.
3ulz BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 VAL A 541
LEU A 401
LEU A 563
GLY A 477
LEU A 482
 None
 1.01A 3n8zA-3ulzA:
undetectable		 3n8zA-3ulzA:
21.28
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 VAL A 199
TYR A  96
GLY A 164
ALA A 165
LEU A 171
 None
FMN  A 500 (-3.4A)
None
None
None
 1.07A 3n8zA-3x0yA:
2.2		 3n8zA-3x0yA:
20.38
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.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		6 VAL A 111
LEU A  59
GLY A  29
ALA A  44
SER A 141
LEU A 138
 None
 1.36A 3n8zA-4am3A:
3.5		 3n8zA-4am3A:
21.39
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 LEU A1737
GLY A1842
ALA A1841
SER A1844
LEU A1868
 None
 1.03A 3n8zA-4asiA:
undetectable		 3n8zA-4asiA:
21.39
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.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N) 		5 VAL A 644
VAL A 618
LEU A 621
LEU A 665
LEU A 605
 None
 1.00A 3n8zA-4b8bA:
undetectable		 3n8zA-4b8bA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.94A 3n8zA-4c13A:
undetectable		 3n8zA-4c13A:
20.28
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.
4ccs CBIX

(Paracoccus
pantotrophus) 		PF01903
(CbiX) 		5 VAL A   8
LEU A  74
GLY A  48
ALA A  49
LEU A  44
 None
None
None
None
EDO  A1229 (-3.9A)
 1.07A 3n8zA-4ccsA:
undetectable		 3n8zA-4ccsA:
17.25
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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		5 VAL A 323
VAL A  64
LEU A  50
GLY A 340
ALA A 341
 None
None
None
LLP  A  77 ( 4.7A)
None
 1.08A 3n8zA-4d9iA:
undetectable		 3n8zA-4d9iA:
20.24
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 VAL A 147
LEU A 148
GLY A 191
ALA A 192
LEU A 139
 None
 1.02A 3n8zA-4dwqA:
undetectable		 3n8zA-4dwqA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4etz PELD

(Pseudomonas
aeruginosa) 		PF13492
(GAF_3)
PF16963
(PelD_GGDEF) 		5 VAL A 188
LEU A 191
LEU A 203
ALA A 300
LEU A 267
 None
 0.99A 3n8zA-4etzA:
undetectable		 3n8zA-4etzA:
20.83
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.
4heq FLAVODOXIN

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1) 		5 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 0.97A 3n8zA-4heqA:
undetectable		 3n8zA-4heqA:
17.38
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.
4hqn SPOROZOITE SURFACE
PROTEIN 2

(Plasmodium
vivax) 		PF00090
(TSP_1)
PF00092
(VWA) 		5 LEU A 168
LEU A 133
GLY A 200
ALA A 199
LEU A 181
 None
 1.07A 3n8zA-4hqnA:
undetectable		 3n8zA-4hqnA:
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.
4ina SACCHAROPINE
DEHYDROGENASE

(Wolinella
succinogenes) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 VAL A   4
VAL A  16
GLY A 354
ALA A 355
LEU A  81
 None
 0.89A 3n8zA-4inaA:
undetectable		 3n8zA-4inaA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jup CASPASE RECRUITMENT
DOMAIN-CONTAINING
PROTEIN 11

(Homo sapiens) 		PF00619
(CARD) 		5 VAL A 106
LEU A  80
LEU A  33
SER A  94
LEU A  95
 None
 1.00A 3n8zA-4jupA:
undetectable		 3n8zA-4jupA:
10.57
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A3299
LEU A3063
LEU A3301
TYR A3067
GLY A3413
 None
 0.89A 3n8zA-4kc5A:
undetectable		 3n8zA-4kc5A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kmr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Sanguibacter
keddieii) 		PF13377
(Peripla_BP_3) 		5 VAL A 278
GLY A 262
ALA A 263
SER A 266
LEU A 267
 None
 1.02A 3n8zA-4kmrA:
undetectable		 3n8zA-4kmrA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 VAL A 153
LEU A 154
GLY A 309
ALA A 310
LEU A 284
 None
 1.04A 3n8zA-4ky0A:
1.5		 3n8zA-4ky0A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 VAL A  81
LEU A  56
GLY A  34
ALA A  35
LEU A  45
 None
 0.86A 3n8zA-4m73A:
undetectable		 3n8zA-4m73A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oye 425AA LONG
HYPOTHETICAL PROTON
GLUTAMATE SYMPORT
PROTEIN

(Pyrococcus
horikoshii) 		PF00375
(SDF) 		5 VAL A 151
LEU A 152
GLY A 306
ALA A 307
LEU A 282
 None
 1.05A 3n8zA-4oyeA:
1.8		 3n8zA-4oyeA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.55A 3n8zA-4ph9A:
58.5		 3n8zA-4ph9A:
64.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pn3 3-HYDROXYACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00106
(adh_short) 		5 VAL A  32
LEU A  49
GLY A  12
ALA A  13
LEU A  34
 None
 1.01A 3n8zA-4pn3A:
undetectable		 3n8zA-4pn3A:
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.
4ry9 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Verminephrobacter
eiseniae) 		PF13407
(Peripla_BP_4) 		5 VAL A 155
VAL A 256
LEU A 231
LEU A 254
GLY A 184
 None
 1.06A 3n8zA-4ry9A:
undetectable		 3n8zA-4ry9A:
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.
4tvo MALATE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  55
LEU A  59
GLY A  13
ALA A  14
LEU A  42
 None
None
NA  A 412 ( 4.1A)
None
None
 1.08A 3n8zA-4tvoA:
undetectable		 3n8zA-4tvoA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		5 VAL B  61
VAL B 139
LEU B  39
GLY B 300
LEU B  68
 None
 0.89A 3n8zA-4tx2B:
undetectable		 3n8zA-4tx2B:
22.60
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.
4z5p CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 VAL A 249
LEU A 123
LEU A 365
ALA A 141
LEU A 245
 None
 1.03A 3n8zA-4z5pA:
2.4		 3n8zA-4z5pA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b6a PYRIDOXAL KINASE
PDXY

(Pseudomonas
aeruginosa) 		PF08543
(Phos_pyr_kin) 		5 ARG A 101
LEU A   8
GLY A  71
ALA A  70
LEU A  75
 None
 0.98A 3n8zA-5b6aA:
2.4		 3n8zA-5b6aA:
19.49
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.
5bpt MGC81278 PROTEIN

(Xenopus laevis) 		PF12894
(ANAPC4_WD40)
PF12896
(ANAPC4) 		5 VAL A 241
LEU A 207
GLY A 184
ALA A 182
LEU A 166
 None
 1.00A 3n8zA-5bptA:
1.9		 3n8zA-5bptA:
21.95
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.
5c0u ALKYLMERCURY LYASE

(Escherichia
coli) 		PF03243
(MerB)
PF12324
(HTH_15) 		5 VAL A 189
VAL A 113
LEU A 126
ALA A  97
LEU A 101
 None
 0.96A 3n8zA-5c0uA:
undetectable		 3n8zA-5c0uA:
18.05
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.
5cde PROLINE DIPEPTIDASE

(Xanthomonas
campestris) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 VAL A  65
LEU A  73
LEU A  86
ALA A  55
LEU A  59
 None
 1.05A 3n8zA-5cdeA:
2.2		 3n8zA-5cdeA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dus ORF1A

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01661
(Macro) 		5 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.85A 3n8zA-5dusA:
undetectable		 3n8zA-5dusA:
15.58
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.
5e0n ENOYL-COA
HYDRATASE/ISOMERASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 VAL X  98
LEU X 122
GLY X 154
SER X 151
LEU X  95
 None
 1.05A 3n8zA-5e0nX:
undetectable		 3n8zA-5e0nX:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 LEU A 328
GLY A 177
ALA A 178
SER A 181
LEU A 182
 None
 1.01A 3n8zA-5f4zA:
undetectable		 3n8zA-5f4zA:
21.37
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.
5gl6 RIBOSOME MATURATION
FACTOR RIMP

(Mycolicibacterium
smegmatis) 		PF02576
(DUF150)
PF17384
(DUF150_C) 		6 VAL A  88
VAL A  19
LEU A  22
GLY A  72
ALA A  70
LEU A  86
 None
 1.23A 3n8zA-5gl6A:
undetectable		 3n8zA-5gl6A:
17.83
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 ARG A 743
LEU A 773
LEU A 745
GLY A 755
ALA A 754
 None
 0.90A 3n8zA-5h42A:
3.2		 3n8zA-5h42A:
19.59
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.
5iaa UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5

(Homo sapiens) 		PF00899
(ThiF) 		5 VAL A 269
LEU A 101
LEU A 179
GLY A  98
LEU A  92
 None
 1.06A 3n8zA-5iaaA:
undetectable		 3n8zA-5iaaA:
18.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 VAL A 116
ARG A 120
VAL A 349
LEU A 352
TYR A 355
LEU A 359
TYR A 385
TRP A 387
GLY A 526
ALA A 527
SER A 530
LEU A 531
 None
ID8  A 601 ( 4.4A)
ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
ID8  A 601 (-3.8A)
None
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
 0.46A 3n8zA-5ikrA:
58.7		 3n8zA-5ikrA:
63.88
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.
5jkj ESTERASE E22

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		5 LEU A 304
LEU A 117
GLY A 239
SER A 243
LEU A 244
 None
 1.02A 3n8zA-5jkjA:
undetectable		 3n8zA-5jkjA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mdh MALATE DEHYDROGENASE

(Sus scrofa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  52
LEU A  56
GLY A  10
ALA A  11
LEU A  39
 None
None
NAD  A 334 (-3.2A)
None
None
 1.08A 3n8zA-5mdhA:
1.6		 3n8zA-5mdhA:
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		5 VAL A 199
VAL A  73
LEU A 178
SER A  77
LEU A 214
 None
 1.07A 3n8zA-5mq6A:
undetectable		 3n8zA-5mq6A:
21.57
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 VAL A4309
LEU A4312
TRP A4320
GLY A4152
ALA A4155
 None
 1.04A 3n8zA-5nugA:
undetectable		 3n8zA-5nugA:
8.17
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.
5syn ACYL-PROTEIN
THIOESTERASE 2

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 VAL A 220
VAL A  27
LEU A  44
GLY A 141
LEU A 224
 None
 0.97A 3n8zA-5synA:
undetectable		 3n8zA-5synA:
19.12
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.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		5 ARG A  93
VAL A  97
LEU A 101
TRP A  49
ALA A  20
 EDO  A 506 (-3.6A)
None
None
None
EDO  A 506 ( 4.9A)
 1.00A 3n8zA-5tp4A:
undetectable		 3n8zA-5tp4A:
22.36
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.
5wpb HISTONE DEACETYLASE
6

(Homo sapiens) 		PF02148
(zf-UBP) 		5 VAL A1190
VAL A1119
LEU A1172
ALA A1194
LEU A1195
 None
 1.06A 3n8zA-5wpbA:
undetectable		 3n8zA-5wpbA:
10.59
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.
5x8o INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Trypanosoma
brucei) 		no annotation 5 VAL A  50
VAL A 255
GLY A 307
SER A  40
LEU A  39
 None
 0.82A 3n8zA-5x8oA:
undetectable		 3n8zA-5x8oA:
9.22
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.
5zvt C-TERMINUS OF OUTER
CAPSID PROTEIN VP5

(Aquareovirus C) 		no annotation 5 VAL B 353
LEU B 444
GLY B 401
ALA B 400
LEU B 422
 None
 1.02A 3n8zA-5zvtB:
undetectable		 3n8zA-5zvtB:
9.59
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.
6f0x MAD2L1-BINDING
PROTEIN

(Homo sapiens) 		no annotation 5 VAL P 134
LEU P 153
LEU P  77
TYR P 232
ALA P 265
 None
 0.99A 3n8zA-6f0xP:
undetectable		 3n8zA-6f0xP:
12.44
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.
6fth EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		no annotation 5 VAL A  55
LEU A  68
ALA A  80
SER A  77
LEU A  23
 None
 1.08A 3n8zA-6fthA:
undetectable		 3n8zA-6fthA:
8.14