SIMILAR PATTERNS OF AMINO ACIDS FOR 4MWZ_B_SAMB301

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.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 GLY A  18
GLY A  20
ILE A  43
ILE A  69
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.8A)
None
 1.04A 4mwzB-1ahiA:
7.3		 4mwzB-1ahiA:
22.38
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.
1cpy SERINE
CARBOXYPEPTIDASE

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		5 VAL A 119
ILE A 174
GLY A 144
ILE A  91
LEU A 123
 None
 1.01A 4mwzB-1cpyA:
undetectable		 4mwzB-1cpyA:
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.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 TYR A 158
GLY A 125
GLY A 176
ILE A 127
ILE A 134
 None
 0.94A 4mwzB-1cqjA:
4.1		 4mwzB-1cqjA:
22.70
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		5 VAL A   6
ILE A 213
GLY A 193
GLY A 196
ILE A 190
 None
 0.84A 4mwzB-1e19A:
3.0		 4mwzB-1e19A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri;
Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		5 VAL C 238
ILE C 104
GLY A 440
GLY A 442
LEU C 235
 None
 1.04A 4mwzB-1e6vC:
undetectable		 4mwzB-1e6vC:
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.
1gny XYLANASE 10C

(Cellvibrio
japonicus) 		PF03426
(CBM_15) 		5 VAL A 153
ILE A 237
GLY A 219
ILE A 232
LEU A 166
 None
 1.03A 4mwzB-1gnyA:
undetectable		 4mwzB-1gnyA:
20.60
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.
1gpl RP2 LIPASE

(Cavia porcellus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 TYR A 114
GLY A  76
ILE A 121
ILE A  74
SER A 152
 None
 0.92A 4mwzB-1gplA:
undetectable		 4mwzB-1gplA:
22.52
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.
1hyh L-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Weissella
confusa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A 295
ILE A 318
GLY A 167
ILE A 164
SER A 285
 None
 1.00A 4mwzB-1hyhA:
4.7		 4mwzB-1hyhA:
20.06
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.
1i2m REGULATOR OF
CHROMOSOME
CONDENSATION 1

(Homo sapiens) 		PF00415
(RCC1) 		5 VAL B 166
GLY B 154
ARG B 147
SER B 145
LEU B 142
 None
 1.01A 4mwzB-1i2mB:
undetectable		 4mwzB-1i2mB:
19.95
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.
1oi7 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 TYR A 158
GLY A 125
GLY A 176
ILE A 127
ILE A 134
 None
 0.76A 4mwzB-1oi7A:
4.5		 4mwzB-1oi7A:
21.65
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.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 VAL A 138
ILE A 128
GLY A 151
GLY A 108
ILE A 105
 None
 1.00A 4mwzB-1pk9A:
undetectable		 4mwzB-1pk9A:
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.
1twd COPPER HOMEOSTASIS
PROTEIN CUTC

(Shigella
flexneri) 		PF03932
(CutC) 		6 VAL A  91
GLY A  34
GLY A  62
ILE A  57
HIS A 121
LEU A 146
 None
 1.49A 4mwzB-1twdA:
undetectable		 4mwzB-1twdA:
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		5 VAL A 284
ILE A 356
GLY A 311
GLY A 321
ILE A 288
 None
 0.99A 4mwzB-1vrgA:
undetectable		 4mwzB-1vrgA:
19.25
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.
1w1w STRUCTURAL
MAINTENANCE OF
CHROMOSOME 1

(Saccharomyces
cerevisiae) 		PF02463
(SMC_N) 		5 ILE A1215
GLY A  33
GLY A1203
ILE A1188
SER A  37
 None
None
None
None
AGS  A2224 (-3.5A)
 0.98A 4mwzB-1w1wA:
undetectable		 4mwzB-1w1wA:
22.12
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.
1yat FK506 BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		6 VAL A  22
ILE A  56
GLY A  62
GLY A  58
ILE A  50
LEU A 103
 None
FK5  A 108 ( 3.7A)
None
None
None
None
 1.35A 4mwzB-1yatA:
undetectable		 4mwzB-1yatA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yat FK506 BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF00254
(FKBP_C) 		6 VAL A  22
ILE A  76
GLY A  62
GLY A  58
ILE A  50
LEU A 103
 None
 1.41A 4mwzB-1yatA:
undetectable		 4mwzB-1yatA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		5 VAL A 453
ILE A 332
GLY A 504
ILE A 449
SER A 500
 None
 1.05A 4mwzB-2bf6A:
undetectable		 4mwzB-2bf6A:
20.78
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.
2bv5 TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 5

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 VAL A 363
ILE A 469
ILE A 370
ARG A 412
LEU A 427
 None
 0.82A 4mwzB-2bv5A:
undetectable		 4mwzB-2bv5A:
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.
2cdu NADPH OXIDASE

(Lactobacillus
sanfranciscensis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 175
GLY A 158
ILE A 154
ILE A 178
ARG A 183
 None
ADP  A 501 (-3.5A)
None
None
None
 1.05A 4mwzB-2cduA:
2.8		 4mwzB-2cduA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cgq ACYL CARRIER PROTEIN
ACPA

(Mycobacterium
tuberculosis) 		PF00550
(PP-binding) 		5 VAL A  65
ILE A   5
ILE A  19
ARG A  14
LEU A  25
 None
 0.96A 4mwzB-2cgqA:
undetectable		 4mwzB-2cgqA:
19.70
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.
2fp7 GENOME POLYPROTEIN
GENOME POLYPROTEIN

(West Nile
virus;
West Nile virus) 		PF01002
(Flavi_NS2B)
PF00949
(Peptidase_S7) 		6 VAL A  75
GLY B 153
GLY B 151
ILE B 162
ILE B 155
LEU A  87
 None
 1.37A 4mwzB-2fp7A:
undetectable		 4mwzB-2fp7A:
10.49
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 GLY A 134
GLY A 185
ILE A 136
CYH A 183
ILE A 143
 None
 1.01A 4mwzB-2fpgA:
3.5		 4mwzB-2fpgA:
21.36
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 TYR A 167
GLY A 134
GLY A 185
ILE A 136
ILE A 143
 None
 0.94A 4mwzB-2fpgA:
3.5		 4mwzB-2fpgA:
21.36
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.
2ghb MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 GLY A 267
GLY A  63
ILE A 106
ARG A 303
LEU A  94
 None
 1.05A 4mwzB-2ghbA:
undetectable		 4mwzB-2ghbA:
24.16
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.
2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Thermotoga
maritima) 		PF01680
(SOR_SNZ) 		5 VAL A 200
TYR A 186
GLY A 191
ILE A 140
LEU A 206
 None
 1.03A 4mwzB-2issA:
undetectable		 4mwzB-2issA:
21.26
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.
2pvp D-ALANINE-D-ALANINE
LIGASE

(Helicobacter
pylori) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ILE A 304
GLY A 103
GLY A 100
ARG A 120
SER A 124
 None
 0.85A 4mwzB-2pvpA:
undetectable		 4mwzB-2pvpA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 VAL A 148
GLY A  84
ILE A 160
ARG A 137
LEU A 143
 None
SAM  A 400 (-3.4A)
None
SAM  A 400 (-4.6A)
None
 1.05A 4mwzB-2qe6A:
14.0		 4mwzB-2qe6A:
20.33
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.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		5 GLY A  39
ILE A  47
ARG A 238
HIS A  65
LEU A  64
 None
None
F2P  A 501 (-3.9A)
None
None
 1.03A 4mwzB-2qjgA:
undetectable		 4mwzB-2qjgA:
27.21
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.
2we5 CARBAMATE KINASE 1

(Enterococcus
faecalis) 		PF00696
(AA_kinase) 		5 VAL A   6
ILE A 207
GLY A 189
GLY A 192
ILE A 186
 None
 0.93A 4mwzB-2we5A:
undetectable		 4mwzB-2we5A:
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.
2zm5 TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Escherichia
coli) 		PF01715
(IPPT) 		5 GLY A  17
GLY A 106
ILE A 283
SER A  21
LEU A 210
 None
 1.01A 4mwzB-2zm5A:
2.7		 4mwzB-2zm5A:
21.78
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 VAL A 106
TYR A 110
ILE A 150
GLY A  79
SER A 357
 None
 1.05A 4mwzB-3aoeA:
3.7		 4mwzB-3aoeA:
18.33
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 GLY A  69
GLY A  71
ILE A  92
SER A 138
HIS A 141
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
SAH  A 274 (-4.0A)
None
SAH  A 274 (-4.0A)
 0.91A 4mwzB-3busA:
24.5		 4mwzB-3busA:
25.43
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.
3bw8 MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Hathewaya
limosa) 		PF03496
(ADPrib_exo_Tox) 		5 TYR A  94
ILE A 148
GLY A  89
ILE A 133
LEU A 203
 None
 1.01A 4mwzB-3bw8A:
undetectable		 4mwzB-3bw8A:
23.02
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		5 TYR A 106
ILE A  74
GLY A 120
GLY A  92
ILE A 135
 None
 1.01A 4mwzB-3cjpA:
undetectable		 4mwzB-3cjpA:
22.37
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		5 VAL A 148
GLY A  91
ILE A 106
ILE A 108
SER A 234
 None
SO4  A 254 (-3.4A)
None
None
None
 0.90A 4mwzB-3emvA:
undetectable		 4mwzB-3emvA:
23.08
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.
3en0 CYANOPHYCINASE

(Synechocystis
sp. PCC 6803) 		PF03575
(Peptidase_S51) 		6 TYR A  56
ILE A  52
GLY A 134
GLY A  98
ILE A  12
ILE A  11
 None
 1.41A 4mwzB-3en0A:
undetectable		 4mwzB-3en0A:
21.97
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.
3f9t L-TYROSINE
DECARBOXYLASE MFNA

(Methanocaldococcus
jannaschii) 		PF00282
(Pyridoxal_deC) 		5 VAL A 166
ILE A 189
GLY A 176
ILE A 126
ILE A 125
 None
 0.99A 4mwzB-3f9tA:
undetectable		 4mwzB-3f9tA:
22.06
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 VAL A 852
GLY A 842
GLY A 864
ILE A 844
LEU A 835
 None
 1.05A 4mwzB-3h09A:
undetectable		 4mwzB-3h09A:
14.38
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.
3kgk ARSENICAL RESISTANCE
OPERON TRANS-ACTING
REPRESSOR ARSD

(Escherichia
coli) 		PF06953
(ArsD) 		5 TYR A  88
GLY A  72
GLY A  86
ILE A  65
LEU A  48
 None
 0.99A 4mwzB-3kgkA:
undetectable		 4mwzB-3kgkA:
17.36
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.
3kgy BIFUNCTIONAL
DEAMINASE-REDUCTASE
DOMAIN PROTEIN

(Chloroflexus
aurantiacus) 		PF01872
(RibD_C) 		5 VAL A 164
GLY A 151
GLY A  83
ILE A 148
ILE A   8
 None
NDP  A 301 (-3.3A)
NDP  A 301 (-3.5A)
None
NDP  A 301 (-3.6A)
 1.03A 4mwzB-3kgyA:
undetectable		 4mwzB-3kgyA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgg METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF13847
(Methyltransf_31) 		5 GLY A  43
GLY A  45
ILE A  94
HIS A 115
LEU A 116
 None
 0.86A 4mwzB-3mggA:
16.7		 4mwzB-3mggA:
25.00
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.
3mgg METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF13847
(Methyltransf_31) 		6 ILE A  46
GLY A  43
GLY A  45
ILE A  67
ILE A  94
LEU A 116
 None
 1.35A 4mwzB-3mggA:
16.7		 4mwzB-3mggA:
25.00
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.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A  48
GLY A 232
GLY A 339
ILE A 195
LEU A 200
 None
 1.01A 4mwzB-3o04A:
undetectable		 4mwzB-3o04A:
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A  15
GLY A  50
GLY A  32
ILE A 232
LEU A 336
 None
 0.97A 4mwzB-3oytA:
undetectable		 4mwzB-3oytA:
21.88
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.
3pi7 NADH OXIDOREDUCTASE

(Mesorhizobium
loti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 227
GLY A 172
ILE A 192
ILE A 248
LEU A 224
 None
 1.02A 4mwzB-3pi7A:
3.1		 4mwzB-3pi7A:
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.
3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Mycobacterium
marinum) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		5 VAL A  64
GLY A 210
ILE A 228
ILE A 124
SER A 217
 None
 1.05A 4mwzB-3qdfA:
undetectable		 4mwzB-3qdfA:
21.58
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.
3tl6 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Entamoeba
histolytica) 		PF01048
(PNP_UDP_1) 		5 VAL A 143
ILE A 133
GLY A 156
GLY A 113
ILE A 110
 None
 1.02A 4mwzB-3tl6A:
undetectable		 4mwzB-3tl6A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 VAL A 297
GLY A 224
GLY A  70
ILE A 277
ILE A 248
 None
 1.01A 4mwzB-3tsdA:
undetectable		 4mwzB-3tsdA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 180
ILE A 242
GLY A 189
GLY A 184
LEU A 169
 None
NDP  A 601 (-3.9A)
None
NDP  A 601 (-3.3A)
None
 1.05A 4mwzB-3twoA:
7.0		 4mwzB-3twoA:
24.51
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.
3u7u RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 VAL A 323
ILE A 398
GLY A 339
GLY A 375
ILE A 312
 None
 1.04A 4mwzB-3u7uA:
undetectable		 4mwzB-3u7uA:
17.46
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		5 VAL A 113
GLY A 348
ARG A 180
SER A 141
LEU A 151
 None
 1.05A 4mwzB-3v7iA:
undetectable		 4mwzB-3v7iA:
18.45
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.
3wtc PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00106
(adh_short) 		5 VAL A 234
ILE A  63
GLY A 120
ILE A 138
LEU A  25
 None
 1.05A 4mwzB-3wtcA:
6.7		 4mwzB-3wtcA:
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.
4axs CARBAMATE KINASE

(Mycoplasma
penetrans) 		PF00696
(AA_kinase) 		5 VAL A   5
ILE A 207
GLY A 187
GLY A 190
ILE A 184
 None
 0.99A 4mwzB-4axsA:
2.9		 4mwzB-4axsA:
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.
4bmv SHORT-CHAIN
DEHYDROGENASE

(Sphingobium
yanoikuyae) 		PF00106
(adh_short) 		5 VAL A 181
GLY A  17
GLY A  15
ILE A 138
ILE A  86
 None
None
NAP  A 300 (-3.6A)
NAP  A 300 (-4.6A)
None
 0.98A 4mwzB-4bmvA:
5.9		 4mwzB-4bmvA:
21.12
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.
4e16 PRECORRIN-4
C(11)-METHYLTRANSFER
ASE

(Clostridioides
difficile) 		PF00590
(TP_methylase) 		5 VAL A  38
ILE A  87
GLY A 110
ILE A  17
LEU A  80
 None
 0.90A 4mwzB-4e16A:
undetectable		 4mwzB-4e16A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g1u HEMIN TRANSPORT
SYSTEM PERMEASE
PROTEIN HMUU

(Yersinia pestis) 		PF01032
(FecCD) 		5 VAL A 264
ILE A 247
GLY A 258
GLY A  88
LEU A 290
 None
 1.03A 4mwzB-4g1uA:
undetectable		 4mwzB-4g1uA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gi5 QUINONE REDUCTASE

(Klebsiella
pneumoniae) 		PF02525
(Flavodoxin_2) 		5 VAL A 193
GLY A 164
ILE A 169
ILE A 172
LEU A 100
 None
None
None
None
FAD  A 301 (-4.4A)
 0.99A 4mwzB-4gi5A:
undetectable		 4mwzB-4gi5A:
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.
4iil MEMBRANE LIPOPROTEIN
TPN38(B)

(Treponema
pallidum) 		PF02608
(Bmp) 		5 VAL A 221
GLY A 154
GLY A 187
ILE A 152
ILE A 213
 None
None
None
None
RBF  A 401 (-3.7A)
 0.99A 4mwzB-4iilA:
undetectable		 4mwzB-4iilA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		6 TYR A 187
ILE A 204
GLY A 232
GLY A 234
ARG A 298
HIS A 303
 SAH  A 501 ( 4.1A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-4.0A)
 0.68A 4mwzB-4ineA:
38.1		 4mwzB-4ineA:
24.04
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 VAL A  34
GLY A  16
GLY A  18
ILE A  12
SER A  47
 None
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.5A)
None
None
 0.99A 4mwzB-4ituA:
6.6		 4mwzB-4ituA:
22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		8 GLY A  61
GLY A  63
ILE A  84
CYH A  85
ILE A 109
ARG A 125
HIS A 130
LEU A 131
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.8A)
BME  A 302 (-1.9A)
SAM  A 301 (-4.1A)
None
SAM  A 301 (-3.9A)
None
 0.36A 4mwzB-4iv8A:
36.5		 4mwzB-4iv8A:
87.64
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ILE A1013
GLY A1017
GLY A1015
ILE A1021
ARG A1009
 None
 1.01A 4mwzB-4j3bA:
undetectable		 4mwzB-4j3bA:
14.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jmk DUAL SPECIFICITY
PROTEIN PHOSPHATASE
8

(Homo sapiens) 		PF00782
(DSPc) 		5 VAL A 276
ILE A 258
ILE A 256
SER A 251
LEU A 170
 None
None
None
SO4  A 501 (-4.4A)
None
 1.05A 4mwzB-4jmkA:
undetectable		 4mwzB-4jmkA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kq9 RIBOSE ABC
TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Conexibacter
woesei) 		PF13407
(Peripla_BP_4) 		5 GLY A 246
GLY A 242
ILE A 235
ILE A 250
LEU A 226
 None
 0.94A 4mwzB-4kq9A:
undetectable		 4mwzB-4kq9A:
21.50
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		6 TYR A 183
ILE A 200
GLY A 228
GLY A 230
ARG A 294
HIS A 299
 SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-4.2A)
 0.69A 4mwzB-4kriA:
38.2		 4mwzB-4kriA:
22.48
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.
4ldq METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Homo sapiens) 		PF01008
(IF-2B) 		6 VAL A 164
ILE A 143
GLY A 179
ILE A 221
SER A 187
LEU A 194
 None
 1.21A 4mwzB-4ldqA:
4.5		 4mwzB-4ldqA:
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.
4lnv THIOESTER-CONTAINING
PROTEIN I

(Anopheles
gambiae) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 VAL A 770
GLY A1266
ILE A 697
ARG A1291
LEU A 705
 None
 1.02A 4mwzB-4lnvA:
undetectable		 4mwzB-4lnvA:
13.21
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.
4miv N-SULPHOGLUCOSAMINE
SULPHOHYDROLASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 VAL A 268
ILE A 155
GLY A 251
GLY A 249
LEU A 263
 None
 0.84A 4mwzB-4mivA:
undetectable		 4mwzB-4mivA:
15.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		6 TYR A  16
GLY A  62
CYH A  84
ILE A  59
HIS A 129
LEU A 130
 SAM  A 301 ( 4.3A)
SAM  A 301 ( 3.8A)
BME  A 303 (-1.9A)
None
SAM  A 301 (-3.9A)
None
 1.16A 4mwzB-4mwzA:
42.9		 4mwzB-4mwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		11 TYR A  16
ILE A  33
GLY A  60
GLY A  62
ILE A  83
CYH A  84
ILE A 108
ARG A 124
SER A 126
HIS A 129
LEU A 130
 SAM  A 301 ( 4.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-4.0A)
None
SAM  A 301 (-3.2A)
SAM  A 301 (-3.9A)
None
 0.24A 4mwzB-4mwzA:
42.9		 4mwzB-4mwzA:
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.
4nwz FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Caldalkalibacillus
thermarum) 		PF07992
(Pyr_redox_2) 		5 VAL A  63
TYR A 383
ILE A 320
ILE A  69
HIS A  42
 None
 0.91A 4mwzB-4nwzA:
3.7		 4mwzB-4nwzA:
19.43
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 VAL A 349
GLY A 315
GLY A 338
ILE A 341
ILE A 317
 None
 1.00A 4mwzB-4om9A:
undetectable		 4mwzB-4om9A:
14.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		8 TYR A  19
ILE A  36
GLY A  63
GLY A  65
CYH A  87
ILE A 111
ARG A 127
HIS A 132
 SAH  A 302 ( 4.1A)
SAH  A 302 ( 3.9A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-3.4A)
SAH  A 302 (-4.1A)
None
SAH  A 302 (-4.3A)
 0.66A 4mwzB-4r6wA:
41.6		 4mwzB-4r6wA:
63.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		9 TYR A  19
ILE A  36
GLY A  63
GLY A  65
ILE A  86
ILE A 111
ARG A 127
HIS A 132
LEU A 133
 SAH  A 302 ( 4.1A)
SAH  A 302 ( 3.9A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-3.7A)
SAH  A 302 (-4.1A)
None
SAH  A 302 (-4.3A)
None
 0.33A 4mwzB-4r6wA:
41.6		 4mwzB-4r6wA:
63.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rxt SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF13407
(Peripla_BP_4) 		5 VAL A  65
GLY A 286
ILE A  37
ILE A  39
ARG A 281
 None
 0.98A 4mwzB-4rxtA:
undetectable		 4mwzB-4rxtA:
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.
4w8y CRISPR SYSTEM CMR
SUBUNIT CMR2

(Pyrococcus
furiosus) 		PF12469
(DUF3692) 		5 GLY A 671
ILE A 668
ILE A 233
SER A 250
HIS A 247
 None
 1.03A 4mwzB-4w8yA:
undetectable		 4mwzB-4w8yA:
16.38
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A  15
GLY A  50
GLY A  32
ILE A 229
LEU A 332
 None
 0.95A 4mwzB-4xoxA:
undetectable		 4mwzB-4xoxA:
20.62
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.
5adv ENTEROCHELIN UPTAKE
PERIPLASMIC BINDING
PROTEIN

(Campylobacter
jejuni) 		PF01497
(Peripla_BP_2) 		5 GLY A 225
ILE A 222
ILE A 189
ARG A 249
SER A 198
 None
None
None
DBS  A1313 ( 3.5A)
None
 1.04A 4mwzB-5advA:
undetectable		 4mwzB-5advA:
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 VAL A 845
TYR A 854
ILE A 787
ILE A 294
ILE A 292
 None
 0.93A 4mwzB-5aw4A:
undetectable		 4mwzB-5aw4A:
12.76
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.
5dz7 POLYKETIDE
BIOSYNTHESIS PROTEIN
PKSE

(Bacillus
subtilis) 		PF00698
(Acyl_transf_1) 		6 VAL A 159
ILE A 119
GLY A 162
GLY A 122
ILE A 147
SER A 194
 None
 1.43A 4mwzB-5dz7A:
undetectable		 4mwzB-5dz7A:
22.81
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.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		5 GLY A  69
GLY A  71
ILE A  92
HIS A 140
LEU A 141
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.8A)
None
 0.57A 4mwzB-5e1bA:
18.4		 4mwzB-5e1bA:
23.55
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.
5erm FUSICOCCADIENE
SYNTHASE

(Diaporthe
amygdali) 		no annotation 5 VAL A  70
TYR A 305
ILE A 209
GLY A 206
ILE A  74
 None
 0.97A 4mwzB-5ermA:
undetectable		 4mwzB-5ermA:
22.04
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.
5f2o FATTY ACID
O-METHYLTRANSFERASE

(Mycobacterium
marinum) 		PF03492
(Methyltransf_7) 		5 VAL A 211
ILE A 138
ILE A 153
ARG A 201
LEU A 364
 None
 1.02A 4mwzB-5f2oA:
14.3		 4mwzB-5f2oA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West Nile virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		6 VAL A  75
GLY A1153
GLY A1151
ILE A1162
ILE A1155
LEU A  87
 None
6A8  A1201 (-3.9A)
6A8  A1201 (-4.2A)
None
6A8  A1201 (-4.6A)
None
 1.37A 4mwzB-5idkA:
undetectable		 4mwzB-5idkA:
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.
5j6e FK506-BINDING
PROTEIN 1A

(Aspergillus
fumigatus) 		PF00254
(FKBP_C) 		5 VAL A  23
GLY A  63
GLY A  59
ILE A  51
LEU A 104
 None
 1.01A 4mwzB-5j6eA:
undetectable		 4mwzB-5j6eA:
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.
5mc5 XAA-PRO DIPEPTIDASE

(Homo sapiens) 		no annotation 5 GLY A 447
ILE A 418
ARG A 265
SER A 251
LEU A 254
 None
None
None
None
PRO  A 504 (-4.5A)
 1.05A 4mwzB-5mc5A:
undetectable		 4mwzB-5mc5A:
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.
5mrt LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 6 ILE A   7
GLY A  24
GLY A   6
ILE A 154
ILE A 191
LEU A 202
 None
 1.33A 4mwzB-5mrtA:
undetectable		 4mwzB-5mrtA:
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.
5nlm INDOXYL
UDP-GLUCOSYLTRANSFER
ASE

(Persicaria
tinctoria) 		no annotation 5 VAL A 469
ILE A 228
GLY A 245
ILE A 216
SER A 462
 None
 1.04A 4mwzB-5nlmA:
2.3		 4mwzB-5nlmA:
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.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		5 VAL A 298
GLY A 269
ILE A 337
ILE A 340
LEU A 276
 None
 1.02A 4mwzB-5t13A:
undetectable		 4mwzB-5t13A:
20.10
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 VAL A  96
ILE A 117
GLY A   8
ILE A  30
ILE A   6
 None
FAD  A 401 (-4.8A)
FAD  A 401 (-3.2A)
None
None
 0.94A 4mwzB-5twbA:
2.8		 4mwzB-5twbA:
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		5 VAL A1120
ILE A 785
GLY A 788
ILE A1143
SER A 792
 None
 0.97A 4mwzB-5u1sA:
undetectable		 4mwzB-5u1sA:
10.43
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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		5 ILE A 239
GLY A 346
GLY A 350
ILE A  99
LEU A 140
 None
HEM  A 401 ( 3.1A)
None
None
None
 1.05A 4mwzB-5vwsA:
undetectable		 4mwzB-5vwsA:
18.41
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.
5wdu BNAB NIH45-46 SCFV
LIGHT CHAIN

(Homo sapiens) 		no annotation 5 VAL E  98
ILE E  56
ILE E  21
ILE E  20
LEU E  13
 None
 0.98A 4mwzB-5wduE:
undetectable		 4mwzB-5wduE:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 TYR A 246
GLY A 290
GLY A 292
ARG A 355
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
None
SAH  A 703 (-4.0A)
 0.19A 4mwzB-5wp4A:
39.4		 4mwzB-5wp4A:
29.44
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.
5y09 PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		no annotation 5 VAL A 164
ILE A 242
GLY A 280
ILE A 292
SER A 155
 None
 1.03A 4mwzB-5y09A:
undetectable		 4mwzB-5y09A:
18.69
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.
5ykh PUMILIO HOMOLOG 1

(Homo sapiens) 		no annotation 5 VAL A  54
GLY A  71
ILE A  58
SER A  36
LEU A  43
 None
 0.97A 4mwzB-5ykhA:
undetectable		 4mwzB-5ykhA:
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT F
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B

(Pyrococcus
furiosus;
Pyrococcus
furiosus;
Pyrococcus
furiosus) 		no annotation
no annotation
no annotation 		5 VAL C  78
TYR F  26
ILE B  62
ARG B  54
HIS C  75
 None
 0.93A 4mwzB-6cfwC:
undetectable		 4mwzB-6cfwC:
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.
6cim V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 2

(Mus musculus) 		no annotation 5 VAL B   8
ILE B 327
GLY B 330
GLY B 319
ILE B  15
 None
 1.05A 4mwzB-6cimB:
undetectable		 4mwzB-6cimB:
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.
6g43 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 VAL A 192
GLY A  93
GLY A 173
ILE A 194
ILE A 238
 None
 0.93A 4mwzB-6g43A:
undetectable		 4mwzB-6g43A:
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.
6g45 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 VAL A 192
GLY A  93
GLY A 173
ILE A 194
ILE A 238
 None
 0.94A 4mwzB-6g45A:
undetectable		 4mwzB-6g45A:
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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		4 SER A 334
ASP A 231
MET A 246
ASP A 236
 SO4  A 461 ( 3.8A)
LI  A 460 (-3.1A)
None
None
 1.27A 4mwzB-3ij3A:
0.6		 4mwzB-3ij3A:
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		4 SER B 684
ASP B 762
MET B 806
ASP B 739
 None
 1.41A 4mwzB-3jb9B:
undetectable		 4mwzB-3jb9B:
14.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cxk ARYLSULFATASE

(Pseudomonas
aeruginosa) 		PF00884
(Sulfatase) 		4 SER A  49
ASP A  63
MET A  57
ASP A 523
 None
 1.35A 4mwzB-4cxkA:
1.1		 4mwzB-4cxkA:
17.36
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		4 SER A 205
ASP A 254
MET A 259
ASP A 281
 SAH  A 501 (-2.7A)
SAH  A 501 (-2.6A)
SAH  A 501 (-3.9A)
SAH  A 501 (-3.5A)
 0.81A 4mwzB-4ineA:
38.1		 4mwzB-4ineA:
24.04
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		4 SER A 201
ASP A 250
MET A 255
ASP A 277
 SAH  A 701 (-2.7A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-3.4A)
 0.78A 4mwzB-4kriA:
38.2		 4mwzB-4kriA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		4 SER A  34
ASP A  82
MET A  87
ASP A 107
 SAM  A 301 (-2.4A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.5A)
 0.07A 4mwzB-4mwzA:
42.9		 4mwzB-4mwzA:
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.
4p0d TRYPSIN-RESISTANT
SURFACE T6 PROTEIN

(Streptococcus
pyogenes) 		PF16569
(GramPos_pilinBB) 		4 SER A 239
ASP A 227
MET A 229
ASP A 343
 None
 1.43A 4mwzB-4p0dA:
undetectable		 4mwzB-4p0dA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b3h PROTEIN SCARECROW

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		4 SER A 383
ASP A 407
MET A 409
ASP A 497
 None
 1.35A 4mwzB-5b3hA:
9.3		 4mwzB-5b3hA:
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 SER A 164
ASP A 208
MET A 213
ASP A 235
 SAM  A 400 ( 4.3A)
SAM  A 400 (-2.8A)
SAM  A 400 (-4.3A)
SAM  A 400 (-3.4A)
 1.34A 4mwzB-5e72A:
14.2		 4mwzB-5e72A:
24.86
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 4 SER A 264
ASP A 312
MET A 317
ASP A 338
 SAH  A 703 (-2.6A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.8A)
SAH  A 703 (-3.3A)
 0.63A 4mwzB-5wp4A:
39.4		 4mwzB-5wp4A:
29.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 4 SER A 264
ASP A 312
MET A 317
ASP A 338
 SAH  A 501 (-2.6A)
SAH  A 501 (-2.8A)
SAH  A 501 (-4.0A)
SAH  A 501 (-3.4A)
 0.63A 4mwzB-5wp5A:
32.8		 4mwzB-5wp5A:
31.56