SIMILAR PATTERNS OF AMINO ACIDS FOR 3UY4_A_PAUA302_0

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.
1a3q PROTEIN (NUCLEAR
FACTOR KAPPA-B P52)

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 HIS A 107
VAL A 138
VAL A 110
ASP A 219
 None
 1.14A 3uy4A-1a3qA:
2.2		 3uy4A-1a3qA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a5l UREASE (BETA
SUBUNIT)
UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes;
Klebsiella
aerogenes) 		PF00699
(Urease_beta)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 GLN C 105
ARG B  60
HIS B  39
ARG B  19
 None
 1.14A 3uy4A-1a5lC:
undetectable		 3uy4A-1a5lC:
19.30
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 VAL A 636
VAL A 661
ASP A 618
GLN A 617
 None
 1.03A 3uy4A-1c7tA:
2.6		 3uy4A-1c7tA:
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.
1cb8 PROTEIN
(CHONDROITINASE AC)

(Pedobacter
heparinus) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 HIS A 340
VAL A 349
VAL A 360
GLN A 342
 None
 1.15A 3uy4A-1cb8A:
undetectable		 3uy4A-1cb8A:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cns CHITINASE

(Hordeum vulgare) 		PF00182
(Glyco_hydro_19) 		4 HIS A 169
VAL A 173
VAL A  52
GLN A 175
 None
 1.11A 3uy4A-1cnsA:
undetectable		 3uy4A-1cnsA:
18.54
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.
1f0z THIS PROTEIN

(Escherichia
coli) 		PF02597
(ThiS) 		4 GLN A  39
HIS A  49
VAL A  41
GLN A  45
 None
 1.10A 3uy4A-1f0zA:
undetectable		 3uy4A-1f0zA:
11.07
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.
1fuj PR3

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLN A  80
HIS A  82
VAL A  67
GLN A  34
 None
 1.02A 3uy4A-1fujA:
undetectable		 3uy4A-1fujA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ib1 SEROTONIN
N-ACETYLTRANSFERASE

(Ovis aries) 		PF00583
(Acetyltransf_1) 		4 GLN E 150
HIS E 146
VAL E 147
VAL E 153
 None
 1.09A 3uy4A-1ib1E:
undetectable		 3uy4A-1ib1E:
19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iho PANTOATE--BETA-ALANI
NE LIGASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		6 GLN A  61
ARG A 123
HIS A 126
VAL A 130
ASP A 152
GLN A 155
 EDO  A 702 (-2.9A)
None
None
EDO  A 702 ( 4.7A)
None
EDO  A 702 (-3.0A)
 0.65A 3uy4A-1ihoA:
31.3		 3uy4A-1ihoA:
42.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		6 HIS A 135
VAL A 139
VAL A 142
ASP A 161
GLN A 164
ARG A 198
 None
BAL  A 802 ( 4.7A)
BAL  A 802 (-4.7A)
None
BAL  A 802 ( 4.6A)
SO4  A 601 (-2.9A)
 0.85A 3uy4A-1n2oA:
34.2		 3uy4A-1n2oA:
36.25
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.
1q6y HYPOTHETICAL PROTEIN
YFDW

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		4 GLN A  50
HIS A  49
VAL A  46
VAL A  18
 None
None
None
COA  A 500 (-4.0A)
 1.04A 3uy4A-1q6yA:
3.4		 3uy4A-1q6yA:
21.16
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.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 HIS A 428
VAL A 416
VAL A 391
ASP A 381
 None
 1.15A 3uy4A-1typA:
undetectable		 3uy4A-1typA:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		6 ARG A 117
HIS A 120
VAL A 124
VAL A 128
ASP A 146
ARG A 183
 CL  A1001 ( 3.0A)
CL  A1001 (-4.7A)
GOL  A1400 ( 4.6A)
None
None
CL  A1001 ( 3.2A)
 1.38A 3uy4A-1ufvA:
39.2		 3uy4A-1ufvA:
41.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		8 GLN A  56
ARG A 117
HIS A 120
VAL A 124
VAL A 127
ASP A 146
GLN A 149
ARG A 183
 GOL  A1400 ( 3.2A)
CL  A1001 ( 3.0A)
CL  A1001 (-4.7A)
GOL  A1400 ( 4.6A)
None
None
GOL  A1400 (-3.1A)
CL  A1001 ( 3.2A)
 0.34A 3uy4A-1ufvA:
39.2		 3uy4A-1ufvA:
41.81
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		4 GLN A 394
VAL A 396
ASP A 411
GLN A 404
 None
 0.88A 3uy4A-1xocA:
undetectable		 3uy4A-1xocA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y25 PROBABLE THIOL
PEROXIDASE

(Mycobacterium
tuberculosis) 		PF08534
(Redoxin) 		4 ARG A  91
VAL A 101
ASP A  84
GLN A  89
 None
 1.08A 3uy4A-1y25A:
2.0		 3uy4A-1y25A:
21.31
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.
2a7n L(+)-MANDELATE
DEHYDROGENASE

(Pseudomonas
putida;
Spinacia
oleracea) 		PF01070
(FMN_dh) 		4 GLN A 259
HIS A 255
VAL A 159
VAL A 161
 None
FMN  A 390 (-3.6A)
None
None
 1.15A 3uy4A-2a7nA:
undetectable		 3uy4A-2a7nA:
22.10
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.
2cir HEXOSE-6-PHOSPHATE
MUTAROTASE

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		4 GLN A  81
ARG A  86
HIS A  82
ARG A  57
 BG6  A 501 (-3.8A)
BG6  A 501 (-3.0A)
BG6  A 501 (-4.2A)
BG6  A 501 (-2.9A)
 1.16A 3uy4A-2cirA:
undetectable		 3uy4A-2cirA:
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Methanothermobacter
thermautotrophicus) 		PF00710
(Asparaginase) 		4 ARG A 138
VAL A 171
VAL A 197
ASP A 166
 None
 0.88A 3uy4A-2d6fA:
undetectable		 3uy4A-2d6fA:
20.47
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.
2dmc FILAMIN-B

(Homo sapiens) 		PF00630
(Filamin) 		4 ARG A  22
VAL A 104
VAL A  80
GLN A  26
 None
 1.01A 3uy4A-2dmcA:
undetectable		 3uy4A-2dmcA:
17.96
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.
2dq3 SERYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 GLN A 402
ARG A 132
VAL A 408
VAL A 421
 None
 0.99A 3uy4A-2dq3A:
undetectable		 3uy4A-2dq3A:
22.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ejc PANTOATE--BETA-ALANI
NE LIGASE

(Thermotoga
maritima) 		PF02569
(Pantoate_ligase) 		6 GLN A  61
HIS A 124
VAL A 128
VAL A 131
ASP A 150
GLN A 153
 None
ZN  A 513 (-3.5A)
None
None
None
None
 0.39A 3uy4A-2ejcA:
40.3		 3uy4A-2ejcA:
51.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ejc PANTOATE--BETA-ALANI
NE LIGASE

(Thermotoga
maritima) 		PF02569
(Pantoate_ligase) 		5 HIS A 124
VAL A 128
ASP A 150
GLN A 153
ARG A 187
 ZN  A 513 (-3.5A)
None
None
None
None
 0.80A 3uy4A-2ejcA:
40.3		 3uy4A-2ejcA:
51.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ep8 PESCADILLO HOMOLOG 1

(Homo sapiens) 		PF16589
(BRCT_2) 		4 ARG A 390
VAL A 378
VAL A 338
GLN A 384
 None
 1.12A 3uy4A-2ep8A:
undetectable		 3uy4A-2ep8A:
15.03
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.
2ew0 HYPOTHETICAL PROTEIN
ACIAD0353

(Acinetobacter
sp. ADP1) 		PF02622
(DUF179) 		4 VAL A 100
VAL A  96
ASP A 150
ARG A 162
 None
 1.08A 3uy4A-2ew0A:
undetectable		 3uy4A-2ew0A:
21.03
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.
2fel 3-CARBOXY-CIS,CIS-MU
CONATE LACTONIZING
ENZYME

(Agrobacterium
tumefaciens) 		PF00206
(Lyase_1) 		4 HIS A 103
VAL A  83
VAL A  81
ASP A 110
 None
 1.12A 3uy4A-2felA:
undetectable		 3uy4A-2felA:
20.44
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.
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)

(Homo sapiens) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		4 ARG A  25
HIS A 165
VAL A 169
GLN A  21
 None
 1.12A 3uy4A-2hgsA:
undetectable		 3uy4A-2hgsA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lnl C-X-C CHEMOKINE
RECEPTOR TYPE 1

(Homo sapiens) 		PF00001
(7tm_1) 		4 HIS A 179
VAL A 113
GLN A 176
ARG A 279
 None
 1.18A 3uy4A-2lnlA:
undetectable		 3uy4A-2lnlA:
21.69
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.
2p2y ALPHA-RIBAZOLE-5'-PH
OSPHATE PHOSPHATASE

(Thermus
thermophilus) 		PF00300
(His_Phos_1) 		4 ARG A  54
HIS A 133
VAL A 117
ASP A  51
 None
 1.17A 3uy4A-2p2yA:
undetectable		 3uy4A-2p2yA:
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.
2pau 5'-DEOXYNUCLEOTIDASE
YFBR

(Escherichia
coli) 		PF13023
(HD_3) 		4 ARG A  18
HIS A  33
VAL A  37
VAL A  40
 D5M  A 301 (-3.3A)
CO  A 201 ( 3.2A)
None
None
 0.71A 3uy4A-2pauA:
undetectable		 3uy4A-2pauA:
22.07
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.
2ycm 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE
, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01128
(IspD) 		5 ARG A 182
VAL A 204
VAL A 275
ASP A 262
GLN A 238
 None
30A  A1306 ( 4.2A)
None
30A  A1306 (-4.0A)
30A  A1306 (-3.4A)
 1.49A 3uy4A-2ycmA:
2.2		 3uy4A-2ycmA:
24.25
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.
2ypf AVRBS3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		4 VAL A 295
VAL A 294
ASP A 256
GLN A 259
 None
 1.16A 3uy4A-2ypfA:
undetectable		 3uy4A-2ypfA:
15.51
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.
2zsi PROBABLE GIBBERELLIN
RECEPTOR GID1L1

(Arabidopsis
thaliana) 		PF07859
(Abhydrolase_3) 		4 HIS A 313
VAL A 285
VAL A 283
ASP A 293
 None
 1.18A 3uy4A-2zsiA:
2.4		 3uy4A-2zsiA:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		6 ARG A 122
HIS A 125
VAL A 129
VAL A 133
ASP A 151
ARG A 188
 ACY  A 801 (-3.2A)
ACY  A 801 (-4.3A)
PAJ  A 501 ( 4.5A)
None
PAJ  A 501 (-3.8A)
ACY  A 801 (-3.2A)
 1.39A 3uy4A-3ag6A:
41.2		 3uy4A-3ag6A:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		8 GLN A  62
ARG A 122
HIS A 125
VAL A 129
VAL A 132
ASP A 151
GLN A 154
ARG A 188
 PAJ  A 501 ( 2.9A)
ACY  A 801 (-3.2A)
ACY  A 801 (-4.3A)
PAJ  A 501 ( 4.5A)
None
PAJ  A 501 (-3.8A)
PAJ  A 501 (-3.1A)
ACY  A 801 (-3.2A)
 0.15A 3uy4A-3ag6A:
41.2		 3uy4A-3ag6A:
43.84
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.
3alx HEMAGGLUTININ,LINKER
,CDW150

(Saguinus
oedipus;
Measles
morbillivirus;
synthetic
construct) 		PF00423
(HN)
PF06214
(SLAM) 		4 HIS A  61
VAL A  63
VAL A  64
ASP A 507
 None
 1.02A 3uy4A-3alxA:
undetectable		 3uy4A-3alxA:
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.
3alx HEMAGGLUTININ,LINKER
,CDW150

(Saguinus
oedipus;
Measles
morbillivirus;
synthetic
construct) 		PF00423
(HN)
PF06214
(SLAM) 		4 HIS A  61
VAL A  63
VAL A  64
ASP A 530
 None
 1.18A 3uy4A-3alxA:
undetectable		 3uy4A-3alxA:
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.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		4 ARG A 109
VAL A 256
VAL A 291
ASP A 203
 None
 1.11A 3uy4A-3atyA:
2.1		 3uy4A-3atyA:
20.67
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.
3bzj UV ENDONUCLEASE

(Thermus
thermophilus) 		PF03851
(UvdE) 		4 HIS A 101
VAL A 141
VAL A 139
ASP A 200
 None
None
None
MN  A 281 ( 3.8A)
 1.12A 3uy4A-3bzjA:
undetectable		 3uy4A-3bzjA:
18.07
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.
3c0k UPF0064 PROTEIN YCCW

(Escherichia
coli) 		PF10672
(Methyltrans_SAM) 		4 ARG A 209
VAL A 125
ASP A 207
ARG A 212
 None
 1.11A 3uy4A-3c0kA:
2.6		 3uy4A-3c0kA:
22.00
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		4 HIS A 120
VAL A 255
ASP A 212
GLN A 215
 None
 1.04A 3uy4A-3cf4A:
2.8		 3uy4A-3cf4A:
16.10
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 ARG A 300
VAL A 279
ASP A 371
ARG A 455
 None
 1.18A 3uy4A-3cmgA:
2.2		 3uy4A-3cmgA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d5t MALATE DEHYDROGENASE

(Burkholderia
pseudomallei) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 VAL A  51
VAL A  55
ASP A  73
GLN A  48
 None
 1.05A 3uy4A-3d5tA:
3.3		 3uy4A-3d5tA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 HIS A 253
VAL A 191
VAL A 247
ASP A 103
 None
 1.00A 3uy4A-3e60A:
undetectable		 3uy4A-3e60A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		4 VAL A 110
VAL A 112
GLN A 104
ARG A  83
 None
 1.16A 3uy4A-3e8sA:
2.4		 3uy4A-3e8sA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3guz PANTOTHENATE
SYNTHETASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		5 GLN A  61
HIS A 126
VAL A 130
ASP A 152
GLN A 155
 PAF  A 177 (-3.1A)
None
PAF  A 177 ( 4.5A)
None
PAF  A 177 (-2.9A)
 0.95A 3uy4A-3guzA:
26.4		 3uy4A-3guzA:
28.72
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.
3h8u UNCHARACTERIZED
CONSERVED PROTEIN
WITH DOUBLE-STRANDED
BETA-HELIX DOMAIN

(Klebsiella
pneumoniae) 		PF07883
(Cupin_2) 		4 ARG A  21
VAL A  42
VAL A  40
ASP A  17
 None
 1.12A 3uy4A-3h8uA:
undetectable		 3uy4A-3h8uA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF00975
(Thioesterase) 		4 HIS A2009
VAL A2013
VAL A2016
ASP A1873
 None
 1.13A 3uy4A-3ilsA:
undetectable		 3uy4A-3ilsA:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3inn PANTOTHENATE
SYNTHETASE

(Brucella
melitensis) 		PF02569
(Pantoate_ligase) 		6 ARG A 121
HIS A 124
VAL A 128
VAL A 132
ASP A 150
ARG A 187
 UNX  A 303 ( 3.3A)
UNX  A 302 ( 4.5A)
ATP  A 300 ( 4.5A)
None
ATP  A 300 (-3.6A)
UNX  A 303 ( 3.2A)
 1.46A 3uy4A-3innA:
40.7		 3uy4A-3innA:
39.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3inn PANTOTHENATE
SYNTHETASE

(Brucella
melitensis) 		PF02569
(Pantoate_ligase) 		8 GLN A  61
ARG A 121
HIS A 124
VAL A 128
VAL A 131
ASP A 150
GLN A 153
ARG A 187
 ATP  A 300 (-3.1A)
UNX  A 303 ( 3.3A)
UNX  A 302 ( 4.5A)
ATP  A 300 ( 4.5A)
None
ATP  A 300 (-3.6A)
ATP  A 300 (-2.9A)
UNX  A 303 ( 3.2A)
 0.37A 3uy4A-3innA:
40.7		 3uy4A-3innA:
39.34
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.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 HIS A 253
VAL A 191
VAL A 247
ASP A 103
 None
 1.05A 3uy4A-3kzuA:
undetectable		 3uy4A-3kzuA:
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.
3ld9 THYMIDYLATE KINASE

(Ehrlichia
chaffeensis) 		PF02223
(Thymidylate_kin) 		4 GLN A  16
VAL A 191
VAL A 195
ASP A 186
 None
 1.09A 3uy4A-3ld9A:
undetectable		 3uy4A-3ld9A:
21.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mue PANTOTHENATE
SYNTHETASE

(Salmonella
enterica) 		PF02569
(Pantoate_ligase) 		6 GLN A  61
ARG A 123
HIS A 126
VAL A 130
ASP A 152
GLN A 155
 GOL  A 291 ( 2.9A)
EOH  A 298 (-3.8A)
EOH  A 298 (-4.6A)
GOL  A 291 ( 4.3A)
None
GOL  A 291 (-3.4A)
 0.67A 3uy4A-3mueA:
31.1		 3uy4A-3mueA:
42.41
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.
3pls MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ARG A1086
HIS A1083
VAL A1081
VAL A1080
 None
 1.09A 3uy4A-3plsA:
undetectable		 3uy4A-3plsA:
21.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q10 PANTOATE--BETA-ALANI
NE LIGASE

(Yersinia pestis) 		PF02569
(Pantoate_ligase) 		6 ARG A 123
HIS A 126
VAL A 130
VAL A 134
ASP A 152
ARG A 189
 CL  A 607 (-3.1A)
CL  A 607 (-4.3A)
GOL  A 601 (-4.0A)
None
AMP  A 501 (-3.6A)
CL  A 607 (-3.4A)
 1.46A 3uy4A-3q10A:
38.6		 3uy4A-3q10A:
40.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q10 PANTOATE--BETA-ALANI
NE LIGASE

(Yersinia pestis) 		PF02569
(Pantoate_ligase) 		7 GLN A  61
ARG A 123
HIS A 126
VAL A 130
ASP A 152
GLN A 155
ARG A 189
 GOL  A 601 ( 2.9A)
CL  A 607 (-3.1A)
CL  A 607 (-4.3A)
GOL  A 601 (-4.0A)
AMP  A 501 (-3.6A)
GOL  A 601 (-3.0A)
CL  A 607 (-3.4A)
 0.36A 3uy4A-3q10A:
38.6		 3uy4A-3q10A:
40.07
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.
3q6z POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		4 HIS A 879
VAL A 877
VAL A 818
ASP A 848
 None
 1.12A 3uy4A-3q6zA:
undetectable		 3uy4A-3q6zA:
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.
3q8x ZETA-TOXIN

(Streptococcus
pyogenes) 		PF06414
(Zeta_toxin) 		4 GLN B  41
VAL B 182
VAL B 181
ARG B 206
 None
 1.16A 3uy4A-3q8xB:
2.6		 3uy4A-3q8xB:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qu3 INTERFERON
REGULATORY FACTOR 7

(Mus musculus) 		PF00605
(IRF) 		4 HIS A 119
VAL A 121
VAL A  37
GLN A 109
 None
 0.93A 3uy4A-3qu3A:
undetectable		 3uy4A-3qu3A:
16.79
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.
3sma FRBF

(Streptomyces
rubellomurinus) 		PF02522
(Antibiotic_NAT) 		4 VAL A 211
VAL A 213
ASP A 226
GLN A 224
 None
 1.11A 3uy4A-3smaA:
undetectable		 3uy4A-3smaA:
21.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		7 GLN A  57
ARG A 118
VAL A 125
VAL A 128
ASP A 147
GLN A 150
ARG A 184
 EDO  A 285 ( 3.0A)
MLT  A 284 (-3.3A)
EDO  A 285 (-4.0A)
EDO  A 285 (-4.9A)
MLT  A 284 ( 3.5A)
MLT  A 284 ( 2.8A)
MLT  A 284 (-3.1A)
 0.24A 3uy4A-3uk2A:
38.3		 3uy4A-3uk2A:
38.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		5 GLN A  57
ARG A 118
VAL A 125
VAL A 129
ARG A 184
 EDO  A 285 ( 3.0A)
MLT  A 284 (-3.3A)
EDO  A 285 (-4.0A)
None
MLT  A 284 (-3.1A)
 1.40A 3uy4A-3uk2A:
38.3		 3uy4A-3uk2A:
38.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uy4 PANTOTHENATE
SYNTHETASE

(Campylobacter
jejuni) 		PF02569
(Pantoate_ligase) 		8 GLN A  60
ARG A 120
HIS A 123
VAL A 127
VAL A 130
ASP A 149
GLN A 152
ARG A 186
 PAU  A 302 (-2.9A)
PAU  A 302 (-3.1A)
PAU  A 302 (-4.5A)
PAU  A 302 (-3.9A)
None
PAU  A 302 ( 3.7A)
PAU  A 302 (-3.1A)
PAU  A 302 (-3.2A)
 0.04A 3uy4A-3uy4A:
49.0		 3uy4A-3uy4A:
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		4 HIS A  78
VAL A 117
VAL A 115
ASP A 192
 MN  A1002 (-3.6A)
None
None
MN  A1001 ( 4.5A)
 1.17A 3uy4A-3wqoA:
undetectable		 3uy4A-3wqoA:
25.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0s OCTENOYL-COA
REDUCTASE/CARBOXYLAS
E

(Streptomyces
cinnabarigriseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 HIS A 143
VAL A 139
ASP A  63
ARG A 105
 None
 0.95A 3uy4A-4a0sA:
4.5		 3uy4A-4a0sA:
20.96
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.
4bs9 TRUD

(uncultured
Prochloron sp.
06037A) 		PF02624
(YcaO) 		4 VAL A 372
ASP A 442
GLN A 440
ARG A 330
 None
 1.06A 3uy4A-4bs9A:
undetectable		 3uy4A-4bs9A:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d4p PROTEIN ATS1,
DIPHTHAMIDE
BIOSYNTHESIS PROTEIN
3

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF05207
(zf-CSL) 		4 ARG A 131
VAL A 144
VAL A 142
ASP A 183
 None
 1.14A 3uy4A-4d4pA:
undetectable		 3uy4A-4d4pA:
20.77
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.
4d86 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		4 HIS A 879
VAL A 877
VAL A 818
ASP A 848
 None
 1.08A 3uy4A-4d86A:
2.8		 3uy4A-4d86A:
22.51
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.
4gox POLYKETIDE SYNTHASE

(Synechococcus
sp. PCC 7002) 		PF13469
(Sulfotransfer_3) 		4 HIS A 272
VAL A 222
ASP A 266
ARG A 172
 A3P  A 401 (-3.9A)
A3P  A 401 ( 4.9A)
A3P  A 401 (-3.8A)
A3P  A 401 (-2.9A)
 1.17A 3uy4A-4goxA:
undetectable		 3uy4A-4goxA:
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 VAL A 326
VAL A  16
ASP A 298
ARG A 359
 None
 1.14A 3uy4A-4h2hA:
undetectable		 3uy4A-4h2hA:
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.
4k3j HEPATOCYTE GROWTH
FACTOR
HEPATOCYTE GROWTH
FACTOR BETA CHAIN

(Homo sapiens;
Homo sapiens) 		PF00089
(Trypsin)
PF01403
(Sema)
PF01437
(PSI) 		4 VAL A 692
VAL A 690
ASP B 190
GLN A 534
 None
 1.14A 3uy4A-4k3jA:
undetectable		 3uy4A-4k3jA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Acholeplasma
laidlawii) 		PF13561
(adh_short_C2) 		4 VAL A 135
VAL A 134
ASP A  87
GLN A 143
 None
 1.18A 3uy4A-4nbtA:
3.0		 3uy4A-4nbtA:
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.
4nbv 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE PUTATIVE
SHORT-CHAIN
DEHYDROGENASES/REDUC
TASES (SDR) FAMILY
PROTEIN

(Cupriavidus
taiwanensis) 		PF13561
(adh_short_C2) 		4 VAL A 143
VAL A 142
ASP A  95
GLN A 151
 None
 1.13A 3uy4A-4nbvA:
3.0		 3uy4A-4nbvA:
21.81
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.
4oxi ENTEROBACTIN
SYNTHETASE COMPONENT
F-RELATED PROTEIN

(Vibrio cholerae) 		PF00501
(AMP-binding) 		4 HIS A  34
VAL A 185
VAL A 186
GLN A  41
 None
 1.01A 3uy4A-4oxiA:
undetectable		 3uy4A-4oxiA:
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.
4pza GLUCOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00300
(His_Phos_1) 		4 ARG A  60
HIS A 159
VAL A 126
ASP A  57
 PO4  A 601 (-3.8A)
PO4  A 601 (-3.9A)
None
None
 1.12A 3uy4A-4pzaA:
undetectable		 3uy4A-4pzaA:
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.
4q66 PROTEIN BCH1

(Saccharomyces
cerevisiae) 		no annotation 4 ARG K 212
VAL K 656
GLN K 616
ARG K 280
 None
 1.18A 3uy4A-4q66K:
undetectable		 3uy4A-4q66K:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLN A 524
VAL A 517
VAL A 500
GLN A 514
 None
 1.12A 3uy4A-4rcnA:
4.9		 3uy4A-4rcnA:
12.95
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ARG A2027
VAL A1721
VAL A1754
GLN A3757
 None
 1.11A 3uy4A-4rh7A:
undetectable		 3uy4A-4rh7A:
5.97
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.
4wt7 ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		4 GLN A 247
VAL A 273
VAL A 277
ASP A 268
 None
None
None
X9X  A 401 (-2.7A)
 1.08A 3uy4A-4wt7A:
undetectable		 3uy4A-4wt7A:
23.01
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.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ARG A 341
VAL A 697
VAL A 700
GLN A 332
 SO4  A 805 (-3.0A)
None
None
None
 0.99A 3uy4A-4zlgA:
undetectable		 3uy4A-4zlgA:
15.88
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.
4zti POLYMERASE COFACTOR
VP35,NUCLEOPROTEIN

(Zaire
ebolavirus) 		PF02097
(Filo_VP35)
PF05505
(Ebola_NP) 		4 GLN A 175
HIS A 179
VAL A 178
GLN A 182
 None
 1.15A 3uy4A-4ztiA:
undetectable		 3uy4A-4ztiA:
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.
5btr NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		4 GLN A 345
HIS A 363
VAL A 448
ARG A 274
 None
 1.07A 3uy4A-5btrA:
undetectable		 3uy4A-5btrA:
20.49
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		4 HIS A1066
VAL A1111
VAL A1059
ASP A1032
 None
 0.97A 3uy4A-5h42A:
undetectable		 3uy4A-5h42A:
13.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hg0 PANTOTHENATE
SYNTHETASE

(Francisella
tularensis) 		PF02569
(Pantoate_ligase) 		4 ARG A 121
HIS A 124
VAL A 132
ARG A 187
 None
 0.95A 3uy4A-5hg0A:
26.8		 3uy4A-5hg0A:
36.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hg0 PANTOTHENATE
SYNTHETASE

(Francisella
tularensis) 		PF02569
(Pantoate_ligase) 		7 GLN A  60
ARG A 121
HIS A 124
VAL A 131
ASP A 150
GLN A 153
ARG A 187
 SAM  A 301 (-3.5A)
None
None
None
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
None
 0.39A 3uy4A-5hg0A:
26.8		 3uy4A-5hg0A:
36.68
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.
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		4 VAL A 685
VAL A 675
GLN A 711
ARG A 410
 None
 1.16A 3uy4A-5ltaA:
undetectable		 3uy4A-5ltaA:
18.60
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		4 GLN A 851
HIS A 849
VAL A 681
ARG A 879
 None
 1.04A 3uy4A-5mqmA:
2.8		 3uy4A-5mqmA:
14.14
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.
5mzn HELICASE
SEN1,HELICASE SEN1

(Saccharomyces
cerevisiae) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		4 ARG A1464
HIS A1557
VAL A1561
GLN A1438
 None
PEG  A2061 ( 4.8A)
PEG  A2062 ( 4.9A)
None
 1.18A 3uy4A-5mznA:
undetectable		 3uy4A-5mznA:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 4 VAL B 378
VAL B 382
GLN B 375
ARG B 432
 None
None
None
CL  B 710 ( 4.7A)
 0.98A 3uy4A-5oarB:
undetectable		 3uy4A-5oarB:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ucr PANTOTHENATE
SYNTHETASE

(Neisseria
gonorrhoeae) 		PF02569
(Pantoate_ligase) 		7 ARG A 118
HIS A 121
VAL A 125
VAL A 128
ASP A 147
GLN A 150
ARG A 184
 None
None
ALA  A 302 ( 4.6A)
None
ANP  A 301 (-3.7A)
ALA  A 302 (-3.9A)
ANP  A 301 (-3.4A)
 0.74A 3uy4A-5ucrA:
36.0		 3uy4A-5ucrA:
40.41
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.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 4 ARG A 604
VAL A 274
VAL A 278
GLN A 265
 None
 0.89A 3uy4A-5vhaA:
undetectable		 3uy4A-5vhaA:
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 4 ARG A  81
VAL A  43
GLN A  11
ARG A 205
 None
 1.18A 3uy4A-6b2wA:
undetectable		 3uy4A-6b2wA:
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 4 ARG A 299
VAL A 278
ASP A 370
ARG A 453
 None
 1.15A 3uy4A-6b6lA:
undetectable		 3uy4A-6b6lA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bhu MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		no annotation 4 VAL A1431
ASP A 793
GLN A 713
ARG A1486
 ATP  A1601 ( 4.7A)
None
MG  A1603 ( 2.3A)
None
 1.09A 3uy4A-6bhuA:
undetectable		 3uy4A-6bhuA:
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.
6c8q NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Enterococcus
faecalis) 		no annotation 4 ARG A 143
VAL A 116
VAL A 120
ASP A 111
 None
 1.11A 3uy4A-6c8qA:
4.1		 3uy4A-6c8qA:
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.
6cjq -

(-) 		no annotation 4 HIS A 232
VAL A 236
VAL A 239
ASP A 261
 None
 1.15A 3uy4A-6cjqA:
2.8		 3uy4A-6cjqA:
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 4 GLN A 430
VAL A 426
ASP A 377
GLN A 380
 None
 0.91A 3uy4A-6d5iA:
undetectable		 3uy4A-6d5iA:
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.
6dxp -

(-) 		no annotation 4 ARG A 133
VAL A  90
VAL A 137
ASP A  36
 None
 1.16A 3uy4A-6dxpA:
undetectable		 3uy4A-6dxpA:
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 4 HIS X  95
VAL X  99
VAL X 102
GLN X 230
 None
 1.13A 3uy4A-6elqX:
2.3		 3uy4A-6elqX:
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 4 HIS A1128
VAL A1130
ASP A1116
ARG A1584
 None
 1.09A 3uy4A-6fayA:
3.0		 3uy4A-6fayA:
undetectable