SIMILAR PATTERNS OF AMINO ACIDS FOR 3N8W_A_FLPA701_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1au8 CATHEPSIN G

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A  52
LEU A  68
ALA A  85
SER A 109
LEU A 108
 None
 0.76A 3n8wA-1au8A:
undetectable		 3n8wA-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.
1dl2 CLASS I
ALPHA-1,2-MANNOSIDAS
E

(Saccharomyces
cerevisiae) 		PF01532
(Glyco_hydro_47) 		6 VAL A  85
TYR A 159
LEU A 141
TYR A  53
TRP A  50
LEU A 120
 None
 1.32A 3n8wA-1dl2A:
0.0		 3n8wA-1dl2A:
20.83
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)
 0.37A 3n8wA-1ebvA:
62.2		 3n8wA-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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 VAL A 337
LEU A 329
LEU A 346
GLY A 323
ALA A 324
 None
 1.04A 3n8wA-1fw8A:
0.0		 3n8wA-1fw8A:
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.
1h4w TRYPSIN IVA

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A  52
LEU A  67
ALA A  85
SER A 109
LEU A 108
 None
 0.96A 3n8wA-1h4wA:
undetectable		 3n8wA-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
 1.03A 3n8wA-1hpgA:
0.0		 3n8wA-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
 1.00A 3n8wA-1i8dA:
0.0		 3n8wA-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
 0.96A 3n8wA-1j17T:
0.0		 3n8wA-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.
1jgc BACTERIOFERRITIN

(Rhodobacter
capsulatus) 		PF00210
(Ferritin) 		5 VAL A 131
LEU A 134
TYR A  25
GLY A  93
LEU A  98
 None
 1.01A 3n8wA-1jgcA:
undetectable		 3n8wA-1jgcA:
13.95
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.
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
 0.80A 3n8wA-1jy1A:
0.0		 3n8wA-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 3n8wA-1l8wA:
undetectable		 3n8wA-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
 1.03A 3n8wA-1mzjA:
undetectable		 3n8wA-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.
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
 0.93A 3n8wA-1nfiE:
1.0		 3n8wA-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
 1.24A 3n8wA-1nr9A:
undetectable		 3n8wA-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.
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 3n8wA-1ps9A:
undetectable		 3n8wA-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
 0.97A 3n8wA-1qhgA:
undetectable		 3n8wA-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
 0.99A 3n8wA-1qhhA:
undetectable		 3n8wA-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.
1s4o GLYCOLIPID
2-ALPHA-MANNOSYLTRAN
SFERASE

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		5 VAL A 172
VAL A 129
LEU A 128
LEU A 137
GLY A 183
 None
GDP  A 800 (-3.8A)
GDP  A 800 (-3.9A)
None
None
 1.04A 3n8wA-1s4oA:
undetectable		 3n8wA-1s4oA:
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT

(Pseudomonas
putida) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		6 VAL C 165
LEU C  50
LEU C  21
GLY C  32
ALA C  31
LEU C  53
 FAD  C4931 ( 3.9A)
None
None
GOL  C3907 ( 3.4A)
FAD  C4931 (-3.5A)
None
 1.36A 3n8wA-1t3qC:
undetectable		 3n8wA-1t3qC:
21.30
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A 176
VAL A 360
LEU A 361
LEU A 414
GLY A  11
 None
 0.88A 3n8wA-1tqyA:
undetectable		 3n8wA-1tqyA:
21.80
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.
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 3n8wA-1txoA:
undetectable		 3n8wA-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
 0.99A 3n8wA-1uhbA:
undetectable		 3n8wA-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.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		5 VAL A 493
VAL A 395
LEU A 423
ALA A 459
LEU A 497
 None
 0.85A 3n8wA-1upxA:
undetectable		 3n8wA-1upxA:
22.33
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.
1vel STARVATION-INDUCED
DNA PROTECTING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		5 VAL A 116
LEU A  60
TYR A  28
LEU A  31
GLY A 143
 None
 1.03A 3n8wA-1velA:
undetectable		 3n8wA-1velA:
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.
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)
 0.90A 3n8wA-1ynqA:
undetectable		 3n8wA-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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		5 VAL A 179
TYR A 294
GLY A 163
ALA A 164
LEU A 168
 None
 1.06A 3n8wA-2a0uA:
0.3		 3n8wA-2a0uA:
20.14
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.
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
 0.91A 3n8wA-2a4kA:
undetectable		 3n8wA-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 3n8wA-2a7mA:
undetectable		 3n8wA-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.
2aiz OUTER MEMBRANE
PROTEIN P6

(Haemophilus
influenzae) 		PF00691
(OmpA) 		5 VAL P  90
LEU P  49
GLY P  68
ALA P 130
LEU P 132
 None
 1.04A 3n8wA-2aizP:
undetectable		 3n8wA-2aizP:
12.09
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.
2cu5 CONSERVED
HYPOTHETICAL PROTEIN
TT1486

(Thermus
thermophilus) 		PF01894
(UPF0047) 		6 VAL A 111
VAL A  34
LEU A 128
LEU A  36
GLY A 101
LEU A 103
 None
 1.49A 3n8wA-2cu5A:
undetectable		 3n8wA-2cu5A:
14.88
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.
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
 1.01A 3n8wA-2dieA:
undetectable		 3n8wA-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.
2e21 TRNA(ILE)-LYSIDINE
SYNTHASE

(Aquifex
aeolicus) 		PF01171
(ATP_bind_3) 		5 VAL A 227
LEU A 230
GLY A 154
SER A 142
LEU A 138
 None
 1.02A 3n8wA-2e21A:
undetectable		 3n8wA-2e21A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2efe SIMILARITY TO
VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN VPS9
SMALL GTP-BINDING
PROTEIN-LIKE

(Arabidopsis
thaliana) 		PF00071
(Ras)
PF02204
(VPS9) 		5 VAL B  89
VAL B  27
LEU B  28
GLY A 183
LEU B  15
 None
 1.04A 3n8wA-2efeB:
undetectable		 3n8wA-2efeB:
17.15
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.
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
 0.96A 3n8wA-2gk9A:
undetectable		 3n8wA-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.
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
 1.03A 3n8wA-2o8sA:
undetectable		 3n8wA-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
 0.94A 3n8wA-2pjrA:
undetectable		 3n8wA-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.
2w48 SORBITOL OPERON
REGULATOR

(Klebsiella
pneumoniae) 		PF04198
(Sugar-bind)
PF13936
(HTH_38) 		5 VAL A 304
LEU A 303
LEU A 102
GLY A 211
LEU A 124
 None
None
None
GOL  A1316 (-3.1A)
None
 1.00A 3n8wA-2w48A:
undetectable		 3n8wA-2w48A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.03A 3n8wA-2wgyA:
0.7		 3n8wA-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.
2xu2 UPF0271 PROTEIN
PA4511

(Pseudomonas
aeruginosa) 		PF03746
(LamB_YcsF) 		5 VAL A 149
LEU A 150
LEU A 169
GLY A 126
LEU A 131
 None
 1.05A 3n8wA-2xu2A:
undetectable		 3n8wA-2xu2A:
19.26
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.
2ywd GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermus
thermophilus) 		PF01174
(SNO) 		6 VAL A 107
VAL A 161
LEU A 160
GLY A  79
ALA A  84
LEU A 103
 None
 1.34A 3n8wA-2ywdA:
undetectable		 3n8wA-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) 		6 VAL A 161
LEU A 160
LEU A 144
GLY A  79
ALA A  84
LEU A 103
 None
 1.19A 3n8wA-2ywdA:
undetectable		 3n8wA-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.
3cl3 ORF K13

(Human
gammaherpesvirus
8) 		PF01335
(DED) 		5 VAL A  10
LEU A  25
LEU A  42
GLY A  64
LEU A  14
 None
 0.95A 3n8wA-3cl3A:
undetectable		 3n8wA-3cl3A:
16.84
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.
3cl3 ORF K13

(Human
gammaherpesvirus
8) 		PF01335
(DED) 		5 VAL A  10
VAL A  22
LEU A  25
GLY A  64
LEU A  14
 None
 1.02A 3n8wA-3cl3A:
undetectable		 3n8wA-3cl3A:
16.84
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.
3e7w D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		6 LEU A   4
TYR A 203
LEU A 206
GLY A  71
SER A  36
LEU A  32
 None
 1.35A 3n8wA-3e7wA:
undetectable		 3n8wA-3e7wA:
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.
3efb PROBABLE SOR-OPERON
REGULATOR

(Shigella
flexneri) 		PF04198
(Sugar-bind) 		5 VAL A 254
LEU A 253
LEU A  52
GLY A 161
LEU A  74
 None
 0.96A 3n8wA-3efbA:
undetectable		 3n8wA-3efbA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 3n8wA-3f6tA:
1.5		 3n8wA-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.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		5 VAL A  70
LEU A  71
LEU A 115
ALA A 383
LEU A  62
 None
 1.04A 3n8wA-3g6lA:
undetectable		 3n8wA-3g6lA:
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 VAL A 200
VAL A 251
LEU A 253
GLY A 182
LEU A 207
 None
 0.99A 3n8wA-3gxoA:
undetectable		 3n8wA-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
 0.98A 3n8wA-3hhfB:
undetectable		 3n8wA-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
 1.01A 3n8wA-3hhgA:
undetectable		 3n8wA-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
 1.02A 3n8wA-3i32A:
undetectable		 3n8wA-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.
3jbe NANOBODY VHH PVSS8A

(Camelus
dromedarius) 		PF07686
(V-set) 		5 VAL 7  64
LEU 7  18
TYR 7  94
LEU 7  81
GLY 7  15
 None
 1.03A 3n8wA-3jbe7:
undetectable		 3n8wA-3jbe7:
12.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 3n8wA-3khnA:
undetectable		 3n8wA-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.
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 3n8wA-3la2A:
undetectable		 3n8wA-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
 1.01A 3n8wA-3lfuA:
undetectable		 3n8wA-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
 1.04A 3n8wA-3mf9A:
undetectable		 3n8wA-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.
3r3c 4-HYDROXYBENZOYL-COA
THIOESTERASE

(Arthrobacter
sp.) 		PF03061
(4HBT) 		6 VAL A  34
VAL A 109
LEU A 129
GLY A  65
ALA A  67
LEU A  56
 None
 1.41A 3n8wA-3r3cA:
undetectable		 3n8wA-3r3cA:
12.30
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A 485
VAL A 272
LEU A 267
GLY A 479
LEU A 483
 None
 1.05A 3n8wA-3redA:
undetectable		 3n8wA-3redA:
22.15
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.
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
 1.04A 3n8wA-3tfyA:
undetectable		 3n8wA-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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		6 VAL A 338
LEU A 304
LEU A 328
GLY A 317
ALA A 316
LEU A 342
 None
 1.34A 3n8wA-3tp9A:
undetectable		 3n8wA-3tp9A:
21.45
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 VAL A 518
LEU A 517
LEU A 555
GLY A 387
LEU A 412
 None
 0.98A 3n8wA-3u4aA:
undetectable		 3n8wA-3u4aA:
21.70
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.
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
 0.98A 3n8wA-3ukfA:
undetectable		 3n8wA-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
 0.96A 3n8wA-3ulzA:
undetectable		 3n8wA-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.
3zw6 RIBULOSE
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E ACTIVASE 1,
CHLOROPLASTIC

(Nicotiana
tabacum) 		PF00004
(AAA) 		5 VAL A 227
VAL A 195
LEU A 199
GLY A 137
LEU A 175
 None
 0.95A 3n8wA-3zw6A:
undetectable		 3n8wA-3zw6A:
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.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		5 VAL A 291
LEU A 345
GLY A 311
ALA A 312
LEU A 293
 None
 1.03A 3n8wA-4ap5A:
undetectable		 3n8wA-4ap5A:
21.82
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 LEU A1737
GLY A1842
ALA A1841
SER A1844
LEU A1868
 None
 0.99A 3n8wA-4asiA:
undetectable		 3n8wA-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
 0.97A 3n8wA-4b8bA:
undetectable		 3n8wA-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
 0.87A 3n8wA-4c13A:
undetectable		 3n8wA-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)
 1.05A 3n8wA-4ccsA:
undetectable		 3n8wA-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.
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
 1.05A 3n8wA-4dwqA:
undetectable		 3n8wA-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
 1.04A 3n8wA-4etzA:
undetectable		 3n8wA-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
 0.99A 3n8wA-4heqA:
undetectable		 3n8wA-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.
4huj UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF03807
(F420_oxidored) 		5 VAL A  63
VAL A  79
LEU A  58
GLY A 119
ALA A 120
 None
 1.02A 3n8wA-4hujA:
undetectable		 3n8wA-4hujA:
15.73
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.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 VAL A 149
LEU A 150
LEU A 109
GLY A 234
LEU A 350
 None
None
None
HEM  A 405 (-3.5A)
HEM  A 405 ( 4.6A)
 1.02A 3n8wA-4ictA:
1.0		 3n8wA-4ictA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.92A 3n8wA-4inaA:
undetectable		 3n8wA-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
 0.99A 3n8wA-4jupA:
undetectable		 3n8wA-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
 0.86A 3n8wA-4kc5A:
undetectable		 3n8wA-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.
4kl0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Xanthomonas
oryzae) 		PF01156
(IU_nuc_hydro) 		5 VAL A 253
LEU A 227
GLY A 246
ALA A 245
LEU A 241
 None
 1.05A 3n8wA-4kl0A:
undetectable		 3n8wA-4kl0A:
21.25
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.
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
 1.01A 3n8wA-4ky0A:
undetectable		 3n8wA-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
 0.91A 3n8wA-4m73A:
undetectable		 3n8wA-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
 1.02A 3n8wA-4oyeA:
undetectable		 3n8wA-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)
 0.47A 3n8wA-4ph9A:
58.7		 3n8wA-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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 VAL B 442
VAL B 577
LEU B 348
GLY B 464
LEU B 483
 None
 1.02A 3n8wA-4qiwB:
0.6		 3n8wA-4qiwB:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.94A 3n8wA-4tx2B:
undetectable		 3n8wA-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.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 VAL A 189
VAL A 135
LEU A 152
GLY A 201
LEU A 185
 None
None
None
PO4  A 301 (-3.6A)
None
 1.03A 3n8wA-4u28A:
undetectable		 3n8wA-4u28A:
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.
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
 0.97A 3n8wA-4z5pA:
undetectable		 3n8wA-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.
5af3 VAPBC49

(Mycobacterium
tuberculosis) 		PF04255
(DUF433) 		5 VAL A 143
VAL A 155
LEU A 159
GLY A 117
ALA A 118
 None
 0.99A 3n8wA-5af3A:
undetectable		 3n8wA-5af3A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 3n8wA-5bptA:
undetectable		 3n8wA-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 3n8wA-5c0uA:
undetectable		 3n8wA-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.
5caj UPF0246 PROTEIN YAAA

(Escherichia
coli) 		PF03883
(H2O2_YaaD) 		6 VAL A 179
LEU A 108
LEU A 155
TYR A  88
ALA A 171
LEU A 111
 None
 1.22A 3n8wA-5cajA:
undetectable		 3n8wA-5cajA:
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.
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
 0.91A 3n8wA-5dusA:
undetectable		 3n8wA-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.
5gl6 RIBOSOME MATURATION
FACTOR RIMP

(Mycolicibacterium
smegmatis) 		PF02576
(DUF150)
PF17384
(DUF150_C) 		5 VAL A  88
VAL A  19
LEU A  22
GLY A  72
LEU A  86
 None
 1.03A 3n8wA-5gl6A:
undetectable		 3n8wA-5gl6A:
17.83
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)
 0.42A 3n8wA-5ikrA:
58.7		 3n8wA-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
 1.03A 3n8wA-5jkjA:
undetectable		 3n8wA-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.
5npy FLAGELLAR BASAL BODY
PROTEIN

(Helicobacter
pylori) 		no annotation 5 VAL A 421
LEU A 466
TYR A 377
LEU A 199
GLY A 194
 None
 0.99A 3n8wA-5npyA:
undetectable		 3n8wA-5npyA:
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.
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
 1.02A 3n8wA-5nugA:
undetectable		 3n8wA-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
 0.95A 3n8wA-5synA:
undetectable		 3n8wA-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.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 5 LEU A 422
GLY A 451
ALA A 450
SER A 449
LEU A 312
 None
 1.05A 3n8wA-5vaeA:
undetectable		 3n8wA-5vaeA:
9.20
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.
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
 0.86A 3n8wA-5x8oA:
undetectable		 3n8wA-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.
6fzv PROCOLLAGEN
C-ENDOPEPTIDASE
ENHANCER 1

(Homo sapiens) 		no annotation 5 VAL D 228
LEU D 227
LEU D 175
GLY D 136
LEU D 145
 None
 1.01A 3n8wA-6fzvD:
undetectable		 3n8wA-6fzvD:
9.47