SIMILAR PATTERNS OF AMINO ACIDS FOR 2W9H_A_TOPA1160_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.
1a5l UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASP C 431
LEU C 429
VAL C 421
PHE C 491
THR C 152
 None
 1.01A 2w9hA-1a5lC:
undetectable		 2w9hA-1a5lC:
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.
1a5l UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASP C 431
LEU C 429
VAL C 421
SER C 509
PHE C 491
 None
 1.12A 2w9hA-1a5lC:
undetectable		 2w9hA-1a5lC:
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.
1jlk RESPONSE REGULATOR
RCP1

(Synechocystis
sp. PCC 6803) 		PF00072
(Response_reg) 		5 LEU A  71
ALA A  45
LEU A  12
VAL A  14
ILE A  83
 None
 1.03A 2w9hA-1jlkA:
undetectable		 2w9hA-1jlkA:
24.14
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.
1m66 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Leishmania
mexicana) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 LEU A 151
LEU A  30
VAL A  33
ILE A  88
THR A 166
 None
 1.11A 2w9hA-1m66A:
undetectable		 2w9hA-1m66A:
17.71
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.
1mqt POLYPROTEIN CAPSID
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		5 LEU B 221
ALA B 152
VAL B 243
SER B  87
PHE B  82
 None
 1.12A 2w9hA-1mqtB:
undetectable		 2w9hA-1mqtB:
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.
1n8y PROTOONCOPROTEIN

(Rattus
norvegicus) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 LEU C 424
ALA C 445
LEU C 440
LEU C 437
ILE C 385
 None
 1.11A 2w9hA-1n8yC:
undetectable		 2w9hA-1n8yC:
13.63
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.
1nd7 WW DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00632
(HECT) 		6 ALA A 912
LEU A 909
LEU A 846
VAL A 850
ILE A 875
THR A 916
 None
 1.43A 2w9hA-1nd7A:
undetectable		 2w9hA-1nd7A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r3n BETA-ALANINE
SYNTHASE

(Lachancea
kluyveri) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 137
LEU A 439
VAL A 151
ILE A 444
PHE A 140
 None
 1.13A 2w9hA-1r3nA:
undetectable		 2w9hA-1r3nA:
14.98
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.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa) 		PF02567
(PhzC-PhzF) 		6 LEU A   8
ALA A  81
LEU A  98
LEU A  50
VAL A  23
ILE A  63
 None
 1.39A 2w9hA-1u0kA:
undetectable		 2w9hA-1u0kA:
18.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
ASP A  27
ILE A  50
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.73A 2w9hA-1zdrA:
26.3		 2w9hA-1zdrA:
49.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
None
 0.48A 2w9hA-1zdrA:
26.3		 2w9hA-1zdrA:
49.08
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.
2a1f URIDYLATE KINASE

(Haemophilus
influenzae) 		PF00696
(AA_kinase) 		5 LEU A 194
VAL A 196
ILE A 190
PHE A 202
THR A 234
 None
 1.12A 2w9hA-2a1fA:
undetectable		 2w9hA-2a1fA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 (-4.1A)
 0.96A 2w9hA-2blbA:
19.5		 2w9hA-2blbA:
28.63
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.
2d4x FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 3

(Salmonella
enterica) 		PF00669
(Flagellin_N) 		5 LEU A 121
ALA A 125
LEU A  80
VAL A  83
SER A 182
 None
 1.12A 2w9hA-2d4xA:
undetectable		 2w9hA-2d4xA:
18.47
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ALA A 143
LEU A  79
VAL A  80
SER A 117
PHE A 125
 None
 1.07A 2w9hA-2ecfA:
undetectable		 2w9hA-2ecfA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5x RIBOSOME-INACTIVATIN
G PROTEIN

(Silene
chalcedonica) 		PF00161
(RIP) 		5 LEU A  20
ALA A 169
LEU A  61
VAL A  48
PHE A  16
 None
 1.11A 2w9hA-2g5xA:
undetectable		 2w9hA-2g5xA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		5 LEU A 474
ALA A 447
LEU A 430
LEU A 411
VAL A 414
 None
None
None
SO4  A 948 (-3.9A)
None
 1.03A 2w9hA-2gj4A:
undetectable		 2w9hA-2gj4A:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A 286
LEU A 273
LEU A 293
SER A  33
ILE A  44
 None
 1.14A 2w9hA-2gn1A:
undetectable		 2w9hA-2gn1A:
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.
2jik SYNAPTOJANIN-2
BINDING PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  88
LEU A  23
LEU A  94
VAL A  68
ILE A  27
 None
 1.12A 2w9hA-2jikA:
undetectable		 2w9hA-2jikA:
22.98
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.
2mf4 HYBRID POLYKETIDE
SYNTHASE-NON
RIBOSOMAL PEPTIDE
SYNTHETASE

(Streptomyces
virginiae) 		PF00550
(PP-binding) 		5 LEU A6793
VAL A6777
SER A6809
ILE A6806
PHE A6802
 None
 1.14A 2w9hA-2mf4A:
undetectable		 2w9hA-2mf4A:
19.14
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.
2mgy TRANSLOCATOR PROTEIN

(Mus musculus) 		PF03073
(TspO_MBR) 		5 LEU A  89
ALA A 119
LEU A 144
LEU A  56
THR A 122
 None
 1.11A 2w9hA-2mgyA:
undetectable		 2w9hA-2mgyA:
19.34
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.
2nx9 OXALOACETATE
DECARBOXYLASE 2,
SUBUNIT ALPHA

(Vibrio cholerae) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 ASP A  12
LEU A  47
VAL A  14
PHE A 274
THR A 246
 None
 1.10A 2w9hA-2nx9A:
undetectable		 2w9hA-2nx9A:
15.52
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.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 298
ALA A 211
VAL A 301
ILE A 268
PHE A 266
 None
 1.10A 2w9hA-2oaeA:
undetectable		 2w9hA-2oaeA:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
ASP A  32
LEU A  33
SER A  61
ILE A  62
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.2A)
 0.71A 2w9hA-2oipA:
21.1		 2w9hA-2oipA:
17.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  21
LEU A  29
VAL A  32
ILE A  51
PHE A  96
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.9A)
MTX  A 200 ( 4.4A)
 0.80A 2w9hA-2qk8A:
25.4		 2w9hA-2qk8A:
46.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vlc TYPE 2
RIBOSOME-INACTIVATIN
G PROTEIN CINNAMOMIN
III

(Cinnamomum
camphora) 		PF00161
(RIP)
PF00652
(Ricin_B_lectin) 		5 LEU A  23
ALA A 166
LEU A  67
VAL A  54
PHE A  19
 None
 1.14A 2w9hA-2vlcA:
undetectable		 2w9hA-2vlcA:
14.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 ALA A  11
ASP A  31
LEU A  32
SER A  53
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.7A)
 0.74A 2w9hA-2w3wA:
22.5		 2w9hA-2w3wA:
31.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4) 		PF01771
(Herpes_alk_exo) 		5 LEU A 462
ALA A 440
LEU A 132
ILE A 364
THR A 439
 None
 1.09A 2w9hA-2w45A:
undetectable		 2w9hA-2w45A:
16.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.53A 2w9hA-2w9sA:
29.7		 2w9hA-2w9sA:
80.75
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.
2x0q ALCALIGIN
BIOSYNTHESIS PROTEIN

(Bordetella
bronchiseptica) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 LEU A 533
ALA A 535
LEU A 432
VAL A 428
PHE A 530
 None
 1.14A 2w9hA-2x0qA:
undetectable		 2w9hA-2x0qA:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a7s UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L5

(Homo sapiens) 		PF01088
(Peptidase_C12) 		5 LEU A 178
ALA A  80
LEU A 130
LEU A  98
ILE A  93
 None
 1.04A 2w9hA-3a7sA:
undetectable		 2w9hA-3a7sA:
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.
3b33 SENSOR PROTEIN

(Vibrio
parahaemolyticus) 		PF00989
(PAS) 		5 ALA A  16
LEU A  89
VAL A  91
ILE A  53
THR A  15
 None
 1.07A 2w9hA-3b33A:
undetectable		 2w9hA-3b33A:
20.37
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.
3ca8 PROTEIN YDCF

(Escherichia
coli) 		PF02698
(DUF218) 		6 ALA A 259
LEU A 256
LEU A 209
VAL A 205
SER A  10
ILE A  14
 None
 1.47A 2w9hA-3ca8A:
undetectable		 2w9hA-3ca8A:
18.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 LEU A   4
ALA A   6
LEU A  19
ASP A  26
LEU A  27
SER A  48
THR A 116
 MTX  A 164 ( 4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.64A 2w9hA-3dfrA:
23.7		 2w9hA-3dfrA:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 LEU A   4
ALA A   6
LEU A  19
SER A  48
PHE A  30
THR A 116
 MTX  A 164 ( 4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.3A)
 1.50A 2w9hA-3dfrA:
23.7		 2w9hA-3dfrA:
35.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
LEU A  46
ASP A  54
SER A 111
ILE A 112
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
RJ6  A 609 ( 4.5A)
 0.97A 2w9hA-3dg8A:
20.1		 2w9hA-3dg8A:
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.
3e05 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		no annotation 5 LEU A 340
ALA A 400
LEU A 348
SER A 325
ILE A 255
 None
None
None
GOL  A 413 (-4.5A)
None
 1.08A 2w9hA-3e05A:
3.2		 2w9hA-3e05A:
26.67
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 ALA A 307
LEU A 318
VAL A 257
SER A 289
ILE A 288
 None
 1.12A 2w9hA-3fgbA:
undetectable		 2w9hA-3fgbA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fs1 HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 211
ALA A 209
LEU A 293
LEU A 202
PHE A 285
 None
 1.10A 2w9hA-3fs1A:
undetectable		 2w9hA-3fs1A:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 LEU X   5
ALA X   7
LEU X  20
ASP X  27
LEU X  28
VAL X  31
ILE X  50
PHE X  92
THR X 111
 N22  X 219 (-4.0A)
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
N22  X 219 ( 3.7A)
N22  X 219 (-4.4A)
 0.57A 2w9hA-3i8aX:
30.2		 2w9hA-3i8aX:
98.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 LEU X   5
ALA X   7
LEU X  20
ASP X  27
VAL X  31
SER X  49
ILE X  50
PHE X  92
THR X 111
 N22  X 219 (-4.0A)
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
None
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
N22  X 219 ( 3.7A)
N22  X 219 (-4.4A)
 0.69A 2w9hA-3i8aX:
30.2		 2w9hA-3i8aX:
98.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ALA A   8
LEU A  29
SER A  50
ILE A  51
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 (-4.3A)
 0.40A 2w9hA-3ia4A:
25.5		 2w9hA-3ia4A:
40.12
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ASP A 704
LEU A 702
VAL A 694
PHE A 764
THR A 425
 None
 0.98A 2w9hA-3la4A:
undetectable		 2w9hA-3la4A:
10.39
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.
3lxq UNCHARACTERIZED
PROTEIN VP1736

(Vibrio
parahaemolyticus) 		PF00884
(Sulfatase) 		5 ALA A 488
LEU A 290
VAL A 288
ILE A 378
PHE A 430
 None
 1.13A 2w9hA-3lxqA:
undetectable		 2w9hA-3lxqA:
17.30
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.
3opb SWI5-DEPENDENT HO
EXPRESSION PROTEIN 4

(Saccharomyces
cerevisiae) 		PF11701
(UNC45-central) 		5 LEU A 356
LEU A 300
VAL A 314
ILE A 307
PHE A 334
 None
 1.03A 2w9hA-3opbA:
undetectable		 2w9hA-3opbA:
11.25
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.
3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Paenibacillus
sp. Y412MC10) 		PF13378
(MR_MLE_C) 		5 LEU A  87
LEU A 114
VAL A  99
ILE A   8
PHE A  81
 None
 1.14A 2w9hA-3opsA:
undetectable		 2w9hA-3opsA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		5 ALA A 364
LEU A  28
LEU A 292
ILE A 380
THR A 365
 None
 0.98A 2w9hA-3pgyA:
2.2		 2w9hA-3pgyA:
18.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  21
ASP A  28
LEU A  29
SER A  50
ILE A  51
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
 0.53A 2w9hA-3tq9A:
25.1		 2w9hA-3tq9A:
38.76
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.
3ulp SINGLE-STRAND
BINDING PROTEIN

(Plasmodium
falciparum) 		PF00436
(SSB) 		5 LEU A 111
LEU A 183
VAL A 155
ILE A 145
PHE A 109
 None
 1.10A 2w9hA-3ulpA:
undetectable		 2w9hA-3ulpA:
22.84
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  28
SER A  56
ILE A  57
THR A 133
 None
 0.89A 2w9hA-3vcoA:
17.7		 2w9hA-3vcoA:
29.41
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.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		5 ALA A  58
LEU A  38
VAL A 314
ILE A 301
PHE A  67
 None
 1.12A 2w9hA-3wvsA:
undetectable		 2w9hA-3wvsA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zzw TYROSINE-PROTEIN
KINASE TRANSMEMBRANE
RECEPTOR ROR2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 682
LEU A 565
LEU A 595
VAL A 596
PHE A 686
 None
 1.03A 2w9hA-3zzwA:
undetectable		 2w9hA-3zzwA:
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.
4ber PHOSPHOCHOLINE
TRANSFERASE ANKX

(Legionella
pneumophila) 		PF02661
(Fic)
PF12796
(Ank_2) 		5 LEU A 128
VAL A 227
SER A 200
ILE A 197
PHE A 127
 None
 1.01A 2w9hA-4berA:
undetectable		 2w9hA-4berA:
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.
4eb5 PROBABLE CYSTEINE
DESULFURASE 2

(Archaeoglobus
fulgidus) 		PF00266
(Aminotran_5) 		5 LEU A 273
LEU A 362
LEU A 346
VAL A 294
ILE A 370
 None
 1.11A 2w9hA-4eb5A:
undetectable		 2w9hA-4eb5A:
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		5 LEU A  87
LEU A  62
LEU A 118
PHE A  91
THR A  83
 None
 1.14A 2w9hA-4eysA:
undetectable		 2w9hA-4eysA:
20.12
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ASP B 704
LEU B 702
VAL B 694
PHE B 764
THR B 425
 None
 1.04A 2w9hA-4g7eB:
undetectable		 2w9hA-4g7eB:
10.38
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.
4g8x RNA POLYMERASE SIGMA
FACTOR RPOD

(Staphylococcus
aureus) 		PF04545
(Sigma70_r4) 		5 LEU A 317
LEU A 329
VAL A 332
ILE A 346
THR A 326
 None
 1.04A 2w9hA-4g8xA:
undetectable		 2w9hA-4g8xA:
16.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
LEU X  25
SER X  64
ILE X  65
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.5A)
 0.70A 2w9hA-4g8zX:
19.8		 2w9hA-4g8zX:
30.05
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.
4giw RUN AND SH3
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF02759
(RUN) 		5 LEU A 185
LEU A 133
LEU A  55
VAL A  51
PHE A 183
 None
 1.03A 2w9hA-4giwA:
undetectable		 2w9hA-4giwA:
23.30
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.
4glx DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 ALA A 541
LEU A 546
LEU A 528
ILE A 517
PHE A 564
 None
 1.03A 2w9hA-4glxA:
undetectable		 2w9hA-4glxA:
16.30
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.
4got METHIONINE-BINDING
LIPOPROTEIN METQ

(Bacillus
subtilis) 		PF03180
(Lipoprotein_9) 		5 ALA A  82
LEU A 248
LEU A  60
VAL A  62
ILE A  45
 None
 1.15A 2w9hA-4gotA:
undetectable		 2w9hA-4gotA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		5 LEU M 423
VAL M 470
SER M 432
ILE M 433
PHE M 427
 None
 1.12A 2w9hA-4gq2M:
undetectable		 2w9hA-4gq2M:
11.45
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.
4h6x THIAZOLINE
OXIDASE/SUBTILISIN-L
IKE PROTEASE

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		5 ALA A 844
LEU A 796
VAL A 839
ILE A 637
THR A 819
 None
 1.11A 2w9hA-4h6xA:
undetectable		 2w9hA-4h6xA:
17.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
LEU A  25
SER A  61
ILE A  62
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.2A)
 0.81A 2w9hA-4h98A:
19.1		 2w9hA-4h98A:
31.39
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.
4hq1 PROBABLE RECEPTOR
PROTEIN KINASE TMK1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 LEU A 248
LEU A 260
VAL A 284
SER A 274
PHE A 298
 None
 1.12A 2w9hA-4hq1A:
undetectable		 2w9hA-4hq1A:
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.
4iqr HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 LEU A 211
ALA A 209
LEU A 293
LEU A 202
PHE A 285
 None
 1.04A 2w9hA-4iqrA:
undetectable		 2w9hA-4iqrA:
17.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.32A 2w9hA-4m7vA:
25.4		 2w9hA-4m7vA:
43.86
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.
4o8o ALPHA-L-ARABINOFURAN
OSIDASE

(Streptomyces
thermoviolaceus) 		PF03664
(Glyco_hydro_62) 		5 LEU A  64
LEU A 334
VAL A 329
SER A 278
ILE A 264
 None
 0.98A 2w9hA-4o8oA:
undetectable		 2w9hA-4o8oA:
18.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
SER A  49
ILE A  50
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.5A)
 0.77A 2w9hA-4p68A:
25.5		 2w9hA-4p68A:
36.65
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.
4q2n INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A 441
LEU A 376
LEU A 447
VAL A 421
ILE A 380
 None
 1.05A 2w9hA-4q2nA:
undetectable		 2w9hA-4q2nA:
24.49
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.
4rgg PUTATIVE PHAGE
STRUCTURAL PROTEIN

(Lactococcus
phage 1358) 		no annotation 5 ALA A 300
LEU A 126
VAL A 123
SER A 169
ILE A 167
 None
 1.05A 2w9hA-4rggA:
undetectable		 2w9hA-4rggA:
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.
4rm7 ACYL-COA
DEHYDROGENASE

(Slackia
heliotrinireducens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 225
ALA A  99
LEU A 238
ILE A 125
PHE A 184
 None
 1.08A 2w9hA-4rm7A:
undetectable		 2w9hA-4rm7A:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tmu RECQ

(Cronobacter
sakazakii) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 LEU A 420
LEU A 510
LEU A 479
VAL A 481
SER A 471
 None
 1.09A 2w9hA-4tmuA:
undetectable		 2w9hA-4tmuA:
14.76
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.
4tvm CITRATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		5 ALA A 221
LEU A 376
LEU A 201
VAL A 197
PHE A 226
 None
 1.02A 2w9hA-4tvmA:
undetectable		 2w9hA-4tvmA:
16.63
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.
4w9r UNCHARACTERIZED
PROTEIN

(Capnocytophaga
ochracea) 		PF00756
(Esterase) 		5 LEU A 316
LEU A 294
VAL A 297
ILE A 364
PHE A 334
 None
 1.11A 2w9hA-4w9rA:
undetectable		 2w9hA-4w9rA:
17.84
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.
4wlp UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L5

(Homo sapiens) 		PF01088
(Peptidase_C12) 		5 LEU A 178
ALA A  80
LEU A 130
LEU A  98
ILE A  93
 None
 1.01A 2w9hA-4wlpA:
undetectable		 2w9hA-4wlpA:
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.
5abj VP3

(Enterovirus A) 		PF00073
(Rhv) 		5 LEU C  53
ALA C  88
LEU C 167
VAL C 117
ILE C 196
 None
 1.05A 2w9hA-5abjC:
undetectable		 2w9hA-5abjC:
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.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 370
LEU A 527
LEU A 539
VAL A 541
ILE A 443
 None
 1.12A 2w9hA-5ahkA:
undetectable		 2w9hA-5ahkA:
14.31
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.
5bty LPG1496

(Legionella
pneumophila) 		no annotation 5 LEU A 256
LEU A 250
VAL A 252
ILE A 235
PHE A 272
 None
 1.13A 2w9hA-5btyA:
undetectable		 2w9hA-5btyA:
22.09
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.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		5 ALA A 622
LEU A 665
SER A 640
ILE A 641
PHE A 722
 None
 1.09A 2w9hA-5ezrA:
undetectable		 2w9hA-5ezrA:
9.98
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A  65
ASP A 365
LEU A 366
ILE A 298
THR A  59
 None
 1.02A 2w9hA-5favA:
undetectable		 2w9hA-5favA:
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.
5fmf RNA POLYMERASE II
PRE-INITIATION
COMPLEX, TFG1
TRANSCRIPTION
INITIATION FACTOR
IIF SUBUNIT BETA,
TFG2

(Saccharomyces
cerevisiae) 		PF02270
(TFIIF_beta)
PF05793
(TFIIF_alpha) 		5 LEU V  61
LEU U 119
VAL U 137
ILE U 127
THR V 212
 None
 1.14A 2w9hA-5fmfV:
undetectable		 2w9hA-5fmfV:
21.55
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.
5ftg CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		5 LEU A 422
ALA A 441
VAL A 260
SER A 431
ILE A 430
 None
 1.11A 2w9hA-5ftgA:
undetectable		 2w9hA-5ftgA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 ALA A 176
LEU A  43
LEU A  57
VAL A  60
ILE A 105
 None
 0.99A 2w9hA-5gleA:
undetectable		 2w9hA-5gleA:
22.39
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.
5hmp UNCONVENTIONAL
MYOSIN-VC

(Homo sapiens) 		PF00063
(Myosin_head) 		5 LEU A 355
LEU A 574
VAL A 369
ILE A 405
PHE A 358
 None
 1.10A 2w9hA-5hmpA:
undetectable		 2w9hA-5hmpA:
12.00
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 ASP C   8
LEU C  43
VAL C  10
PHE C 270
THR C 242
 None
 1.11A 2w9hA-5ks8C:
undetectable		 2w9hA-5ks8C:
12.92
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.
5l0z PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Sinorhizobium
meliloti) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		6 LEU A 139
ALA A 267
LEU A 274
VAL A 137
SER A 184
ILE A 188
 None
 1.44A 2w9hA-5l0zA:
undetectable		 2w9hA-5l0zA:
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.
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		no annotation 5 LEU C 423
ALA C 444
LEU C 439
LEU C 436
ILE C 384
 None
 1.13A 2w9hA-5o4gC:
undetectable		 2w9hA-5o4gC:
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.
5o60 50S RIBOSOMAL
PROTEIN L5

(Mycolicibacterium
smegmatis) 		PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C) 		5 LEU F 177
LEU F  11
VAL F 163
SER F 112
PHE F 182
 None
 1.07A 2w9hA-5o60F:
undetectable		 2w9hA-5o60F:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
LEU A  23
ASP A  31
SER A  86
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.2A)
 0.81A 2w9hA-5t0lA:
20.5		 2w9hA-5t0lA:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 5 ALA A 712
LEU A 807
LEU A 721
VAL A 720
ILE A 704
 None
 1.08A 2w9hA-5vhaA:
undetectable		 2w9hA-5vhaA:
15.82
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 ALA A 409
LEU A 426
VAL A 361
ILE A 448
PHE A 395
 None
 1.08A 2w9hA-5x4jA:
undetectable		 2w9hA-5x4jA:
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.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 LEU A 250
ALA A 245
LEU A 241
LEU A 276
VAL A 279
 None
 0.87A 2w9hA-5xdrA:
undetectable		 2w9hA-5xdrA:
13.07
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		5 LEU A 227
LEU A 358
VAL A 361
ILE A 257
THR A 210
 None
 1.08A 2w9hA-5xfaA:
undetectable		 2w9hA-5xfaA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y9q CARBON CATABOLITE
RESPONSIVE REGULATOR

(Staphylococcus
aureus) 		PF03466
(LysR_substrate) 		5 LEU A 188
LEU A  15
VAL A  19
ILE A   5
PHE A 185
 None
 1.13A 2w9hA-5y9qA:
2.7		 2w9hA-5y9qA:
23.26
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.
5y9q CARBON CATABOLITE
RESPONSIVE REGULATOR

(Staphylococcus
aureus) 		PF03466
(LysR_substrate) 		5 LEU A 188
LEU A  67
LEU A  15
VAL A  19
PHE A 185
 None
 0.88A 2w9hA-5y9qA:
2.7		 2w9hA-5y9qA:
23.26
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.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus) 		no annotation 5 LEU A 180
ALA A 165
LEU A 188
VAL A 186
ILE A  33
 None
 1.07A 2w9hA-5ywpA:
undetectable		 2w9hA-5ywpA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z7h LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
aureus) 		no annotation 5 LEU A 278
LEU A 157
LEU A 105
VAL A 109
PHE A 275
 None
 0.90A 2w9hA-5z7hA:
2.1		 2w9hA-5z7hA:
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.
6e4e -

(-) 		no annotation 9 LEU A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
VAL A  31
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.41A 2w9hA-6e4eA:
30.4		 2w9hA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 9 LEU A   5
ALA A   7
LEU A  20
ASP A  27
VAL A  31
SER A  49
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.55A 2w9hA-6e4eA:
30.4		 2w9hA-6e4eA:
undetectable