SIMILAR PATTERNS OF AMINO ACIDS FOR 4XYZ_A_ACTA103

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.
1914 SIGNAL RECOGNITION
PARTICLE 9/14 FUSION
PROTEIN

(Mus musculus) 		PF02290
(SRP14)
PF05486
(SRP9-21) 		4 LEU A4069
ILE A4040
HIS A4066
VAL A4042
 None
 1.03A 4xyzA-1914A:
undetectable		 4xyzA-1914A:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a1s ORNITHINE
CARBAMOYLTRANSFERASE

(Pyrococcus
furiosus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A 270
ILE A 283
HIS A 268
VAL A 290
 None
 0.99A 4xyzA-1a1sA:
undetectable		 4xyzA-1a1sA:
16.96
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.
1eh5 PALMITOYL PROTEIN
THIOESTERASE 1

(Bos taurus) 		PF02089
(Palm_thioest) 		4 LEU A 285
ILE A 301
HIS A 300
VAL A 228
 None
 0.84A 4xyzA-1eh5A:
undetectable		 4xyzA-1eh5A:
16.53
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.
1htd ATROLYSIN C

(Crotalus atrox) 		PF01421
(Reprolysin) 		4 LEU A 170
ILE A 165
HIS A 142
VAL A 138
 None
None
ZN  A 401 ( 3.2A)
None
 1.20A 4xyzA-1htdA:
undetectable		 4xyzA-1htdA:
20.23
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.
1jj7 PEPTIDE TRANSPORTER
TAP1

(Homo sapiens) 		PF00005
(ABC_tran) 		4 LEU A 703
ILE A 712
HIS A 726
VAL A 706
 None
 1.11A 4xyzA-1jj7A:
0.0		 4xyzA-1jj7A:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k1b B-CELL LYMPHOMA
3-ENCODED PROTEIN

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		4 LEU A 170
ILE A 133
HIS A 132
VAL A 136
 None
 1.22A 4xyzA-1k1bA:
undetectable		 4xyzA-1k1bA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ks6 TRANSFORMING GROWTH
FACTOR BETA TYPE II
RECEPTOR

(Gallus gallus) 		PF08917
(ecTbetaR2) 		4 LEU A  63
ILE A  55
HIS A  57
VAL A  42
 None
 1.18A 4xyzA-1ks6A:
undetectable		 4xyzA-1ks6A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nd1 BAP1

(Bothrops asper) 		PF01421
(Reprolysin) 		4 LEU A 170
ILE A 165
HIS A 142
VAL A 138
 None
None
ZN  A 400 (-3.2A)
None
 1.17A 4xyzA-1nd1A:
undetectable		 4xyzA-1nd1A:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nq6 XYS1

(Streptomyces
halstedii) 		PF00331
(Glyco_hydro_10) 		4 LEU A  33
ILE A  66
HIS A  69
VAL A  40
 None
 1.22A 4xyzA-1nq6A:
0.0		 4xyzA-1nq6A:
13.57
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.
1pv5 HYPOTHETICAL PROTEIN
YWQG

(Bacillus
subtilis) 		PF09234
(DUF1963) 		4 LEU A  25
ILE A  39
HIS A 193
VAL A 144
 None
 1.09A 4xyzA-1pv5A:
undetectable		 4xyzA-1pv5A:
15.12
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.
1qgc PROTEIN (VIRUS
CAPSID PROTEIN VP1)

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		4 LEU 1  51
ILE 1 173
HIS 1  49
VAL 1 168
 None
 0.87A 4xyzA-1qgc1:
undetectable		 4xyzA-1qgc1:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qqj FUMARYLACETOACETATE
HYDROLASE

(Mus musculus) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		4 LEU A 340
ILE A 225
HIS A 224
VAL A 206
 None
 1.23A 4xyzA-1qqjA:
undetectable		 4xyzA-1qqjA:
11.63
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.
1qua ACUTOLYSIN-C

(Deinagkistrodon
acutus) 		PF01421
(Reprolysin) 		4 LEU A 168
ILE A 163
HIS A 142
VAL A 138
 None
None
ZN  A 999 (-3.2A)
None
 1.27A 4xyzA-1quaA:
undetectable		 4xyzA-1quaA:
18.63
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.
1qxy METHIONYL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00557
(Peptidase_M24) 		4 LEU A 245
ILE A 201
HIS A 234
VAL A 236
 None
 1.15A 4xyzA-1qxyA:
0.6		 4xyzA-1qxyA:
14.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s9a CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 LEU A  93
ILE A 195
HIS A 127
VAL A 125
 None
 0.85A 4xyzA-1s9aA:
undetectable		 4xyzA-1s9aA:
15.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sif UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		4 LEU A   8
ILE A  44
HIS A  68
VAL A  70
 None
 0.69A 4xyzA-1sifA:
15.5		 4xyzA-1sifA:
81.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vlv ORNITHINE
CARBAMOYLTRANSFERASE

(Thermotoga
maritima) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A 273
ILE A 286
HIS A 271
VAL A 293
 None
 0.98A 4xyzA-1vlvA:
undetectable		 4xyzA-1vlvA:
16.87
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.
1vpv UPF0230 PROTEIN
TM1468

(Thermotoga
maritima) 		PF02645
(DegV) 		4 LEU A 170
ILE A 268
HIS A 271
VAL A 272
 None
PLM  A 501 ( 4.5A)
PLM  A 501 (-3.6A)
None
 0.93A 4xyzA-1vpvA:
undetectable		 4xyzA-1vpvA:
14.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wx9 HLA-B ASSOCIATED
TRANSCRIPT-3 ISOFORM
B

(Homo sapiens) 		PF00240
(ubiquitin) 		4 LEU A  15
ILE A  51
HIS A  74
VAL A  76
 None
 0.97A 4xyzA-1wx9A:
11.8		 4xyzA-1wx9A:
31.03
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.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		4 LEU A  17
ILE A 257
HIS A  22
VAL A  20
 None
 0.96A 4xyzA-1xfjA:
undetectable		 4xyzA-1xfjA:
15.94
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.
1yp1 FII

(Deinagkistrodon
acutus) 		PF01421
(Reprolysin) 		4 LEU A 169
ILE A 164
HIS A 142
VAL A 138
 None
None
ZN  A 999 (-3.3A)
None
 1.20A 4xyzA-1yp1A:
undetectable		 4xyzA-1yp1A:
16.33
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.
1ypz H2-T22 PROTEIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 LEU A 266
ILE A 213
HIS A 263
VAL A 261
 None
 1.25A 4xyzA-1ypzA:
undetectable		 4xyzA-1ypzA:
15.95
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.
1za6 IGG HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU B 329
ILE B 274
HIS B 326
VAL B 324
 None
 1.29A 4xyzA-1za6B:
undetectable		 4xyzA-1za6B:
11.95
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.
1zs8 HISTOCOMPATIBILITY
2, M REGION LOCUS
10.5

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 LEU A 265
ILE A 212
HIS A 262
VAL A 260
 None
 1.28A 4xyzA-1zs8A:
undetectable		 4xyzA-1zs8A:
15.97
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.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		4 LEU A 234
ILE A 264
HIS A 267
VAL A 268
 None
 1.19A 4xyzA-2b0tA:
undetectable		 4xyzA-2b0tA:
7.81
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.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 LEU B 417
ILE B 446
HIS B 451
VAL B 455
 None
 1.05A 4xyzA-2bkuB:
undetectable		 4xyzA-2bkuB:
6.57
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.
2bll PROTEIN YFBG

(Escherichia
coli) 		PF01370
(Epimerase) 		4 LEU A 319
ILE A 376
HIS A 379
VAL A 380
 None
 1.28A 4xyzA-2bllA:
undetectable		 4xyzA-2bllA:
11.66
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.
2bs4 QUINOL-FUMARATE
REDUCTASE DIHEME
CYTOCHROME B SUBUNIT
C

(Wolinella
succinogenes) 		PF01127
(Sdh_cyt) 		4 LEU C 171
ILE C 146
HIS C 143
VAL C 142
 None
None
HEM  C1256 (-3.2A)
None
 1.25A 4xyzA-2bs4C:
undetectable		 4xyzA-2bs4C:
17.45
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.
2bye PHOSPHOLIPASE C,
EPSILON 1

(Homo sapiens) 		no annotation 4 LEU A  90
ILE A  28
HIS A  10
VAL A  12
 None
 1.04A 4xyzA-2byeA:
5.5		 4xyzA-2byeA:
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.
2ddt SPHINGOMYELIN
PHOSPHODIESTERASE

(Bacillus cereus) 		PF03372
(Exo_endo_phos) 		4 LEU A  51
ILE A  43
HIS A  15
VAL A  49
 None
 1.01A 4xyzA-2ddtA:
undetectable		 4xyzA-2ddtA:
12.97
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.
2htf DNA POLYMERASE MU

(Homo sapiens) 		no annotation 4 LEU A 100
ILE A  32
HIS A  68
VAL A  70
 None
 1.28A 4xyzA-2htfA:
undetectable		 4xyzA-2htfA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hyx PROTEIN DIPZ

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		4 LEU A 657
ILE A 638
HIS A 666
VAL A 668
 None
 1.10A 4xyzA-2hyxA:
undetectable		 4xyzA-2hyxA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2poz PUTATIVE DEHYDRATASE

(Mesorhizobium
japonicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A  12
ILE A  39
HIS A  19
VAL A  21
 None
 1.25A 4xyzA-2pozA:
undetectable		 4xyzA-2pozA:
10.88
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.
2qm0 BES

(Bacillus cereus) 		PF00756
(Esterase) 		4 LEU A 242
ILE A 199
HIS A 239
VAL A 237
 None
 0.95A 4xyzA-2qm0A:
undetectable		 4xyzA-2qm0A:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpt EH DOMAIN-CONTAINING
PROTEIN-2

(Mus musculus) 		PF00350
(Dynamin_N)
PF12763
(EF-hand_4)
PF16880
(EHD_N) 		4 LEU A 303
ILE A 310
HIS A 307
VAL A 306
 None
 1.11A 4xyzA-2qptA:
undetectable		 4xyzA-2qptA:
10.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgs IG GAMMA-2B HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set) 		4 LEU A 432
ILE A 377
HIS A 429
VAL A 427
 None
 1.31A 4xyzA-2rgsA:
undetectable		 4xyzA-2rgsA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vuo IG GAMMA CHAIN C
REGION

(Oryctolagus
cuniculus) 		PF07654
(C1-set) 		4 LEU A 432
ILE A 377
HIS A 429
VAL A 427
 None
GOL  A1454 (-4.6A)
None
None
 1.33A 4xyzA-2vuoA:
undetectable		 4xyzA-2vuoA:
14.16
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.
2wt8 MICROCEPHALIN

(Homo sapiens) 		PF12738
(PTCB-BRCT) 		4 LEU A   6
ILE A  51
HIS A  49
VAL A  76
 None
 1.31A 4xyzA-2wt8A:
undetectable		 4xyzA-2wt8A:
22.45
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.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		4 LEU A  95
ILE A 128
HIS A  69
VAL A  67
 None
 1.17A 4xyzA-2xyqA:
undetectable		 4xyzA-2xyqA:
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.
3aiv BETA-GLUCOSIDASE

(Secale cereale) 		PF00232
(Glyco_hydro_1) 		4 LEU A 387
ILE A 436
HIS A 435
VAL A 439
 None
 1.13A 4xyzA-3aivA:
undetectable		 4xyzA-3aivA:
8.87
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.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		4 LEU A 147
ILE A 389
HIS A 386
VAL A 385
 None
 1.30A 4xyzA-3aqiA:
undetectable		 4xyzA-3aqiA:
14.33
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.
3bjn TRANSCRIPTIONAL
REGULATOR, PUTATIVE

(Vibrio cholerae) 		PF01614
(IclR) 		4 LEU A  97
ILE A 229
HIS A 232
VAL A 233
 None
 1.13A 4xyzA-3bjnA:
undetectable		 4xyzA-3bjnA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ds8 LIN2722 PROTEIN

(Listeria
innocua) 		PF06028
(DUF915) 		4 LEU A  19
ILE A 130
HIS A 101
VAL A  99
 None
None
SO4  A 256 (-3.8A)
None
 1.28A 4xyzA-3ds8A:
undetectable		 4xyzA-3ds8A:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 LEU A 378
ILE A 209
HIS A 234
VAL A 274
 None
 1.12A 4xyzA-3e0lA:
undetectable		 4xyzA-3e0lA:
11.31
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.
3gbo ZINC
METALLOPROTEINASE
BMOOMPALFA-I

(Bothrops
moojeni) 		PF01421
(Reprolysin) 		4 LEU A 168
ILE A 163
HIS A 140
VAL A 136
 None
None
ZN  A 302 (-3.3A)
None
 1.15A 4xyzA-3gboA:
undetectable		 4xyzA-3gboA:
17.41
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.
3ge4 DNA PROTECTION
DURING STARVATION
PROTEIN

(Brucella
melitensis) 		PF00210
(Ferritin) 		4 LEU A 151
ILE A  73
HIS A  69
VAL A 125
 None
 1.07A 4xyzA-3ge4A:
undetectable		 4xyzA-3ge4A:
26.56
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.
3hwc CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 2

(Burkholderia
cepacia) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 LEU A3131
ILE A3271
HIS A3270
VAL A3268
 None
 1.07A 4xyzA-3hwcA:
undetectable		 4xyzA-3hwcA:
10.76
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.
3jrt INTEGRON CASSETTE
PROTEIN VPC_CASS2

(Vibrio
paracholerae) 		no annotation 4 LEU A 163
ILE A  85
HIS A  82
VAL A 159
 None
 1.08A 4xyzA-3jrtA:
undetectable		 4xyzA-3jrtA:
17.37
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.
3khf MICROTUBULE-ASSOCIAT
ED
SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		PF00595
(PDZ) 		4 LEU A1002
ILE A 967
HIS A 980
VAL A 982
 None
 1.30A 4xyzA-3khfA:
undetectable		 4xyzA-3khfA:
26.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kmh D-LYXOSE ISOMERASE

(Escherichia
coli) 		PF07385
(Lyx_isomer) 		4 LEU A 124
ILE A 112
HIS A 171
VAL A 122
 None
None
MN  A1001 (-3.3A)
None
 0.92A 4xyzA-3kmhA:
undetectable		 4xyzA-3kmhA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mvn UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MEDO-DIAMINOP
IMELATE LIGASE

([Haemophilus]
ducreyi) 		PF02875
(Mur_ligase_C) 		4 LEU A 448
ILE A 434
HIS A 444
VAL A 329
 None
 1.19A 4xyzA-3mvnA:
undetectable		 4xyzA-3mvnA:
18.30
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.
3pl5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF02645
(DegV) 		4 LEU A 171
ILE A 267
HIS A 270
VAL A 271
 None
PLM  A 702 ( 4.7A)
PLM  A 702 (-3.6A)
None
 1.07A 4xyzA-3pl5A:
0.2		 4xyzA-3pl5A:
17.37
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.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		4 LEU A  95
ILE A 128
HIS A  69
VAL A  67
 None
 1.18A 4xyzA-3r24A:
undetectable		 4xyzA-3r24A:
13.27
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.
3tgl TRIACYL-GLYCEROL
ACYLHYDROLASE

(Rhizomucor
miehei) 		PF01764
(Lipase_3) 		4 LEU A 258
ILE A  89
HIS A 257
VAL A 254
 None
 1.17A 4xyzA-3tglA:
undetectable		 4xyzA-3tglA:
14.66
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.
3tnl SHIKIMATE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF08501
(Shikimate_dh_N) 		4 LEU A  87
ILE A  80
HIS A  81
VAL A  97
 None
 1.10A 4xyzA-3tnlA:
undetectable		 4xyzA-3tnlA:
14.33
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.
3zo0 IG GAMMA-2A CHAIN C
REGION, A ALLELE

(Mus musculus) 		PF07654
(C1-set) 		4 LEU A 432
ILE A 377
HIS A 429
VAL A 427
 None
 1.33A 4xyzA-3zo0A:
undetectable		 4xyzA-3zo0A:
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.
4aib ORNITHINE
DECARBOXYLASE

(Entamoeba
histolytica) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 LEU A 356
ILE A  30
HIS A 268
VAL A 270
 None
 1.10A 4xyzA-4aibA:
undetectable		 4xyzA-4aibA:
12.08
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.
4aig ADAMALYSIN II

(Crotalus
adamanteus) 		PF01421
(Reprolysin) 		4 LEU A 170
ILE A 165
HIS A 142
VAL A 138
 FLX  A 400 (-4.0A)
None
ZN  A 999 ( 3.2A)
FLX  A 400 ( 4.9A)
 1.25A 4xyzA-4aigA:
undetectable		 4xyzA-4aigA:
17.41
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		4 LEU A 197
ILE A 215
HIS A 200
VAL A 217
 None
 1.21A 4xyzA-4avoA:
undetectable		 4xyzA-4avoA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cmw DITERPENE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 4 LEU A 244
ILE A  71
HIS A  69
VAL A  21
 None
 1.31A 4xyzA-4cmwA:
undetectable		 4xyzA-4cmwA:
13.47
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.
4eew LARGE PROLINE-RICH
PROTEIN BAG6

(Homo sapiens) 		PF00240
(ubiquitin) 		4 LEU A  24
ILE A  60
HIS A  83
VAL A  85
 None
 0.80A 4xyzA-4eewA:
13.1		 4xyzA-4eewA:
29.55
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.
4f2g ORNITHINE
CARBAMOYLTRANSFERASE
1

(Burkholderia
thailandensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A 265
ILE A 278
HIS A 263
VAL A 285
 None
 0.86A 4xyzA-4f2gA:
undetectable		 4xyzA-4f2gA:
12.79
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.
4grc PUTATIVE MEMBRANE
PROTEIN

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		4 LEU A 252
ILE A  68
HIS A  64
VAL A 256
 None
 1.27A 4xyzA-4grcA:
undetectable		 4xyzA-4grcA:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxx METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 LEU A 140
ILE A 305
HIS A 306
VAL A 332
 None
 1.21A 4xyzA-4hxxA:
undetectable		 4xyzA-4hxxA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iu6 METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 LEU A 140
ILE A 305
HIS A 306
VAL A 332
 None
 1.15A 4xyzA-4iu6A:
undetectable		 4xyzA-4iu6A:
11.23
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.
4j16 NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Thermus
thermophilus) 		PF02233
(PNTB) 		4 LEU C 397
ILE C 330
HIS C 331
VAL C 298
 None
 1.32A 4xyzA-4j16C:
undetectable		 4xyzA-4j16C:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l1y SALIVARY NITROPHORIN

(Cimex
lectularius) 		no annotation 4 LEU A 275
ILE A  40
HIS A  10
VAL A  12
 None
 1.09A 4xyzA-4l1yA:
undetectable		 4xyzA-4l1yA:
16.01
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.
4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12

(Arabidopsis
thaliana) 		PF03321
(GH3) 		4 LEU A 339
ILE A 127
HIS A 130
VAL A 131
 None
 1.21A 4xyzA-4l39A:
undetectable		 4xyzA-4l39A:
10.52
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.
4l6y PROTEIN REGULATOR OF
CYTOKINESIS 1

(Homo sapiens) 		PF03999
(MAP65_ASE1) 		4 LEU A 331
ILE A 297
HIS A 334
VAL A 293
 None
 1.14A 4xyzA-4l6yA:
undetectable		 4xyzA-4l6yA:
11.14
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.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 LEU A 240
ILE A 225
HIS A 238
VAL A 262
 None
 1.32A 4xyzA-4mkvA:
undetectable		 4xyzA-4mkvA:
12.97
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.
4nf2 ORNITHINE
CARBAMOYLTRANSFERASE

(Bacillus
anthracis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A 270
ILE A 283
HIS A 268
VAL A 290
 None
None
None
CL  A 403 (-4.9A)
 1.00A 4xyzA-4nf2A:
undetectable		 4xyzA-4nf2A:
11.99
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.
4oh7 ORNITHINE
CARBAMOYLTRANSFERASE

(Brucella
melitensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A 266
ILE A 279
HIS A 264
VAL A 286
 None
 0.94A 4xyzA-4oh7A:
undetectable		 4xyzA-4oh7A:
12.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q1l SNAKE VENOM
METALLOPROTEINASE
LEUCUROLYSIN-A

(Bothrops
leucurus) 		PF01421
(Reprolysin) 		4 LEU A 170
ILE A 165
HIS A 142
VAL A 138
 None
None
ZN  A 302 (-3.2A)
None
 1.16A 4xyzA-4q1lA:
undetectable		 4xyzA-4q1lA:
19.31
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.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		4 LEU A 279
ILE A 125
HIS A 137
VAL A 141
 None
HEM  A 600 ( 4.5A)
None
None
 1.08A 4xyzA-4r1zA:
undetectable		 4xyzA-4r1zA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 LEU P 474
ILE P 533
HIS P 441
VAL P 445
 None
 1.17A 4xyzA-4s2tP:
undetectable		 4xyzA-4s2tP:
10.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zm4 AMINOTRANSFERASE

(Streptomyces
pactum) 		PF00202
(Aminotran_3) 		4 LEU A  60
ILE A 429
HIS A 424
VAL A 432
 None
 1.05A 4xyzA-4zm4A:
undetectable		 4xyzA-4zm4A:
10.81
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		4 LEU A  46
ILE A  48
HIS A  47
VAL A  51
 None
 1.28A 4xyzA-5ah5A:
3.9		 4xyzA-5ah5A:
7.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		4 LEU A2257
ILE A2021
HIS A2094
VAL A2092
 None
 0.85A 4xyzA-5b4xA:
undetectable		 4xyzA-5b4xA:
8.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b83 TETRA UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		4 LEU A   8
ILE A  44
HIS A  68
VAL A  70
 None
 0.86A 4xyzA-5b83A:
14.0		 4xyzA-5b83A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b83 TETRA UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		4 LEU A  84
ILE A 120
HIS A 144
VAL A 146
 None
 1.11A 4xyzA-5b83A:
14.0		 4xyzA-5b83A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b83 TETRA UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		4 LEU A 160
ILE A 196
HIS A 220
VAL A 222
 None
 0.94A 4xyzA-5b83A:
14.0		 4xyzA-5b83A:
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.
5bv3 M7GPPPX
DIPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		4 LEU A 330
ILE A 315
HIS A 133
VAL A 135
 None
 1.20A 4xyzA-5bv3A:
1.4		 4xyzA-5bv3A:
12.35
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		4 LEU A 292
ILE A 321
HIS A 324
VAL A 309
 None
 1.30A 4xyzA-5cjuA:
undetectable		 4xyzA-5cjuA:
5.60
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.
5es2 UNCHARACTERIZED
PROTEIN LPG0634

(Legionella
pneumophila) 		PF16848
(SoDot-IcmSS) 		4 LEU A 307
ILE A 284
HIS A 304
VAL A 280
 None
 1.18A 4xyzA-5es2A:
undetectable		 4xyzA-5es2A:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h80 CARBOXYLASE

(Deinococcus
radiodurans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LEU A 311
ILE A   7
HIS A  78
VAL A  21
 None
 1.31A 4xyzA-5h80A:
undetectable		 4xyzA-5h80A:
11.86
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		4 LEU A 964
ILE A 932
HIS A 915
VAL A 917
 None
 1.01A 4xyzA-5ijlA:
undetectable		 4xyzA-5ijlA:
6.08
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.
5irr SEPTIN-LIKE PROTEIN

(Chlamydomonas
reinhardtii) 		PF00735
(Septin) 		4 LEU A 251
ILE A 200
HIS A 254
VAL A 196
 None
 1.30A 4xyzA-5irrA:
undetectable		 4xyzA-5irrA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lw0 BASIC
HELIX-LOOP-HELIX,
PUTATIVE, EXPRESSED

(Oryza sativa) 		PF01661
(Macro) 		4 LEU A 228
ILE A 254
HIS A 255
VAL A 256
 None
 1.21A 4xyzA-5lw0A:
undetectable		 4xyzA-5lw0A:
18.96
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.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		4 LEU A 339
ILE A 410
HIS A1079
VAL A 408
 None
 1.31A 4xyzA-5mqsA:
undetectable		 4xyzA-5mqsA:
5.49
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.
5mtv EH DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		PF00350
(Dynamin_N)
PF16880
(EHD_N) 		4 LEU A 306
ILE A 313
HIS A 310
VAL A 309
 None
 1.08A 4xyzA-5mtvA:
undetectable		 4xyzA-5mtvA:
9.77
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.
5muw PACKAGING ENZYME P4

(Pseudomonas
virus phi6) 		PF11602
(NTPase_P4) 		4 LEU A 180
ILE A  10
HIS A   9
VAL A  13
 None
 1.22A 4xyzA-5muwA:
undetectable		 4xyzA-5muwA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o30 PUTATIVE
OXIDOREDUCTASE

(Ilumatobacter
coccineus) 		PF13561
(adh_short_C2) 		4 LEU A  11
ILE A  69
HIS A  37
VAL A  35
 None
 1.24A 4xyzA-5o30A:
undetectable		 4xyzA-5o30A:
13.26
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.
5ods CLATHRIN HEAVY CHAIN
1

(Mus musculus) 		no annotation 4 LEU A  13
ILE A 316
HIS A  12
VAL A 324
 None
 1.15A 4xyzA-5odsA:
undetectable		 4xyzA-5odsA:
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.
5uak CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Homo sapiens) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		4 LEU A 935
ILE A 942
HIS A 939
VAL A 938
 None
 1.21A 4xyzA-5uakA:
undetectable		 4xyzA-5uakA:
5.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vix POLYUBIQUITIN

(Naegleria
gruberi) 		PF00240
(ubiquitin) 		4 LEU A   8
ILE A  44
HIS A  68
VAL A  70
 None
None
None
NO3  A 203 (-4.2A)
 0.97A 4xyzA-5vixA:
15.9		 4xyzA-5vixA:
96.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vix POLYUBIQUITIN

(Naegleria
gruberi) 		PF00240
(ubiquitin) 		4 LEU A  84
ILE A 120
HIS A 144
VAL A 146
 None
NO3  A 201 (-4.5A)
NO3  A 201 (-3.6A)
None
 0.70A 4xyzA-5vixA:
15.9		 4xyzA-5vixA:
96.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4

(Homo sapiens) 		no annotation 4 LEU A 138
ILE A 162
HIS A 165
VAL A 166
 None
 1.24A 4xyzA-5wp6A:
undetectable		 4xyzA-5wp6A:
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 4 LEU A 279
ILE A 125
HIS A 137
VAL A 141
 None
HEM  A 601 (-4.4A)
None
None
 1.09A 4xyzA-6b82A:
undetectable		 4xyzA-6b82A:
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.
6fml RUVB-LIKE HELICASE
INO80

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
no annotation 		4 LEU G1456
ILE D 131
HIS D 239
VAL D 241
 None
 1.29A 4xyzA-6fmlG:
undetectable		 4xyzA-6fmlG:
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT 8

(Mus musculus) 		no annotation 4 LEU X 114
ILE X  73
HIS X  76
VAL X 110
 None
 1.18A 4xyzA-6g72X:
undetectable		 4xyzA-6g72X:
undetectable