SIMILAR PATTERNS OF AMINO ACIDS FOR 4UW0_A_SAMA1506

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.
1a2o CHEB METHYLESTERASE

(Salmonella
enterica) 		PF00072
(Response_reg)
PF01339
(CheB_methylest) 		5 GLY A 166
ALA A 170
ILE A 102
VAL A 310
ILE A 135
 None
 1.01A 4uw0A-1a2oA:
undetectable		 4uw0A-1a2oA:
23.03
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.
1au8 CATHEPSIN G

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A  88
PHE A  51
GLN A 107
ARG A  48
ILE A 238
 None
 1.05A 4uw0A-1au8A:
undetectable		 4uw0A-1au8A:
19.38
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.
1eom ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F3

(Elizabethkingia
meningoseptica) 		PF00704
(Glyco_hydro_18) 		5 ARG A  73
GLY A 122
ILE A 123
VAL A 114
ILE A 110
 None
 1.01A 4uw0A-1eomA:
undetectable		 4uw0A-1eomA:
20.35
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.
1ewr DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 ARG A 172
GLY A 621
ARG A 687
LEU A 252
ILE A 649
 None
 1.06A 4uw0A-1ewrA:
undetectable		 4uw0A-1ewrA:
23.46
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.
1ezw COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanopyrus
kandleri) 		PF00296
(Bac_luciferase) 		5 GLY A 329
ALA A 241
PHE A 232
ILE A 328
ILE A 336
 None
 1.10A 4uw0A-1ezwA:
undetectable		 4uw0A-1ezwA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpp ENDONUCLEASE PI-SCEI

(Saccharomyces
cerevisiae) 		PF05203
(Hom_end_hint) 		5 ALA A  11
ILE A 434
LEU A 445
VAL A   8
ILE A  18
 None
 1.07A 4uw0A-1gppA:
undetectable		 4uw0A-1gppA:
18.95
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.
1hst HISTONE H5

(Gallus gallus) 		PF00538
(Linker_histone) 		5 ALA A  77
PHE A  93
GLN A  83
ILE A  32
ILE A  68
 None
 1.07A 4uw0A-1hstA:
undetectable		 4uw0A-1hstA:
11.57
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.
1jy1 TYROSYL-DNA
PHOSPHODIESTERASE

(Homo sapiens) 		PF06087
(Tyr-DNA_phospho) 		5 TYR A 302
ILE A 188
LEU A 268
VAL A 278
ILE A 296
 None
 1.08A 4uw0A-1jy1A:
undetectable		 4uw0A-1jy1A:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1luj CATENIN BETA-1
BETA-CATENIN-INTERAC
TING PROTEIN 1

(Homo sapiens;
Mus musculus) 		PF00514
(Arm)
PF06384
(ICAT) 		5 GLY A 572
ALA B  64
ILE A 569
VAL A 511
ILE A 507
 None
 0.99A 4uw0A-1lujA:
undetectable		 4uw0A-1lujA:
22.43
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 GLY A 470
ALA A 636
ILE A 462
LEU A 472
VAL A 478
 None
 1.06A 4uw0A-1q3xA:
undetectable		 4uw0A-1q3xA:
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.
1qsa PROTEIN (SOLUBLE
LYTIC
TRANSGLYCOSYLASE
SLT70)

(Escherichia
coli) 		PF01464
(SLT)
PF14718
(SLT_L) 		5 ARG A 545
ALA A 572
ARG A 293
ILE A 579
VAL A 588
 GOL  A 904 (-3.3A)
GOL  A 902 (-3.5A)
None
None
None
 1.05A 4uw0A-1qsaA:
undetectable		 4uw0A-1qsaA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)

(Rhinovirus A) 		PF00073
(Rhv) 		5 GLY 1 133
ILE 1 131
LEU 1 231
VAL 1 233
ILE 1 235
 None
 1.12A 4uw0A-1r1a1:
undetectable		 4uw0A-1r1a1:
18.90
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.
1sig RNA POLYMERASE
PRIMARY SIGMA FACTOR

(Escherichia
coli) 		PF04542
(Sigma70_r2)
PF04546
(Sigma70_ner) 		5 GLY A 408
ALA A 438
ILE A 405
VAL A 387
ILE A 388
 None
 1.11A 4uw0A-1sigA:
undetectable		 4uw0A-1sigA:
20.70
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.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 386
GLY A 422
ALA A 420
ILE A 451
ILE A 415
 None
 1.12A 4uw0A-1typA:
3.1		 4uw0A-1typA:
22.87
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.
1u0m PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 141
ALA A 305
ILE A 162
LEU A 136
VAL A 104
 None
15P  A1000 ( 4.6A)
None
None
None
 1.07A 4uw0A-1u0mA:
undetectable		 4uw0A-1u0mA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		6 ALA A 380
GLN A 378
ARG A 403
ILE A 396
LEU A 360
ILE A 370
 None
 1.47A 4uw0A-1vcnA:
undetectable		 4uw0A-1vcnA:
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.
1vdw HYPOTHETICAL PROTEIN
PH1897

(Pyrococcus
horikoshii) 		PF00459
(Inositol_P) 		5 ALA A 104
ILE A  55
GLU A  51
VAL A  65
ILE A  70
 None
 1.12A 4uw0A-1vdwA:
undetectable		 4uw0A-1vdwA:
18.25
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.
1x43 SH3 DOMAIN GRB2-LIKE
PROTEIN B1

(Mus musculus) 		PF14604
(SH3_9) 		5 GLY A  57
GLN A  62
ILE A  42
GLU A  40
VAL A  66
 None
 1.12A 4uw0A-1x43A:
undetectable		 4uw0A-1x43A:
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.
1z6x ADP-RIBOSYLATION
FACTOR 4

(Homo sapiens) 		PF00025
(Arf) 		5 GLY A  29
ALA A  27
ILE A  33
VAL A  91
ILE A  89
 GDP  A 201 (-3.0A)
GDP  A 201 (-4.1A)
None
None
None
 0.93A 4uw0A-1z6xA:
undetectable		 4uw0A-1z6xA:
16.60
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.
1zcm CALPAIN 1, LARGE
[CATALYTIC] SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2) 		5 GLY A 249
ALA A 273
PHE A 345
VAL A 276
ILE A 292
 None
C1N  A1115 ( 4.0A)
None
None
None
 1.00A 4uw0A-1zcmA:
undetectable		 4uw0A-1zcmA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 GLY A 470
ALA A 636
ILE A 462
LEU A 472
VAL A 478
 None
 1.08A 4uw0A-1zjkA:
undetectable		 4uw0A-1zjkA:
20.07
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.
2azp HYPOTHETICAL PROTEIN
PA1268

(Pseudomonas
aeruginosa) 		PF05544
(Pro_racemase) 		5 TYR A 185
ALA A 188
GLN A 190
ILE A 198
ILE A 157
 None
 1.03A 4uw0A-2azpA:
undetectable		 4uw0A-2azpA:
23.19
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.
2bdq COPPER HOMEOSTASIS
PROTEIN CUTC

(Streptococcus
agalactiae) 		PF03932
(CutC) 		5 ALA A  92
ILE A  55
LEU A  27
VAL A  25
ILE A  22
 None
 1.06A 4uw0A-2bdqA:
3.2		 4uw0A-2bdqA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2etv IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF01497
(Peripla_BP_2) 		5 ALA A  48
ILE A 159
LEU A  27
VAL A 134
ILE A  34
 None
MLY  A 158 (-4.3A)
None
None
None
 1.08A 4uw0A-2etvA:
undetectable		 4uw0A-2etvA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  53
ALA A  50
ILE A  57
VAL A  42
ILE A  28
 None
 1.04A 4uw0A-2gl5A:
2.9		 4uw0A-2gl5A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i5g AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 GLY A  88
GLN A  84
ARG A  79
ILE A  78
VAL A  72
 None
 1.02A 4uw0A-2i5gA:
undetectable		 4uw0A-2i5gA:
21.23
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.
2i71 HYPOTHETICAL PROTEIN

(Sulfolobus
solfataricus) 		PF09455
(Cas_DxTHG) 		5 TYR A 107
ALA A 140
PHE A   6
VAL A 145
ILE A 119
 None
 1.12A 4uw0A-2i71A:
undetectable		 4uw0A-2i71A:
19.13
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.
2iue INTEGRIN BETA-2-LIKE
PROTEIN

(Mus musculus) 		PF00362
(Integrin_beta) 		5 GLY A 192
ILE A 168
LEU A 194
VAL A 201
ILE A 205
 None
 1.01A 4uw0A-2iueA:
undetectable		 4uw0A-2iueA:
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.
2nqa CALPAIN 8

(Homo sapiens) 		PF00648
(Peptidase_C2) 		5 GLY A 239
ALA A 263
PHE A 335
VAL A 266
ILE A 282
 None
 1.01A 4uw0A-2nqaA:
undetectable		 4uw0A-2nqaA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nqi CALPAIN-1 CATALYTIC
SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		5 GLY A 249
ALA A 273
PHE A 345
VAL A 276
ILE A 292
 None
NQI  A 501 (-3.7A)
None
None
None
 1.00A 4uw0A-2nqiA:
undetectable		 4uw0A-2nqiA:
20.55
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.
2p0r CALPAIN-9

(Homo sapiens) 		PF00648
(Peptidase_C2) 		5 GLY A 231
ALA A 255
PHE A 328
VAL A 258
ILE A 274
 None
 0.98A 4uw0A-2p0rA:
undetectable		 4uw0A-2p0rA:
21.29
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.
2pig PUTATIVE TRANSFERASE

(Salmonella
enterica) 		no annotation 5 TYR A 155
ALA A 158
ILE A 194
VAL A 188
ILE A 204
 None
 1.04A 4uw0A-2pigA:
undetectable		 4uw0A-2pigA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		5 ALA A  85
ARG A  14
ILE A  13
LEU A  10
ILE A  41
 None
None
GOL  A 280 ( 4.0A)
None
None
 0.97A 4uw0A-2r2dA:
undetectable		 4uw0A-2r2dA:
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.
2r2p EPHRIN TYPE-A
RECEPTOR 5

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		5 GLY A 741
ALA A 725
ILE A 670
VAL A 752
ILE A 675
 None
 1.05A 4uw0A-2r2pA:
6.3		 4uw0A-2r2pA:
20.84
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.
2wfi PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
G

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 GLY A  22
GLN A  19
ILE A  14
VAL A 150
ILE A 154
 None
 0.96A 4uw0A-2wfiA:
undetectable		 4uw0A-2wfiA:
17.98
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.
2wpw ORF14

(Streptomyces
clavuligerus) 		PF00583
(Acetyltransf_1) 		5 ARG A 118
ALA A  56
PHE A 224
ARG A 228
LEU A  78
 None
 1.03A 4uw0A-2wpwA:
2.1		 4uw0A-2wpwA:
22.01
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 TYR A  69
GLY A  75
ALA A  72
ILE A  94
ILE A  14
 None
 0.95A 4uw0A-2xfgA:
undetectable		 4uw0A-2xfgA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yrn NEURON NAVIGATOR 2
ISOFORM 4

(Homo sapiens) 		PF00307
(CH) 		5 ARG A  38
GLY A  50
GLN A  77
ILE A  82
LEU A  52
 None
 1.07A 4uw0A-2yrnA:
undetectable		 4uw0A-2yrnA:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6h CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 410
ALA A 446
LEU A 408
VAL A 417
ILE A 414
 None
 1.13A 4uw0A-2z6hA:
undetectable		 4uw0A-2z6hA:
22.29
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 GLY A 321
ALA A 317
ILE A 325
VAL A 342
ILE A 340
 None
 0.80A 4uw0A-2z8zA:
undetectable		 4uw0A-2z8zA:
21.53
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.
3aq4 ADP-RIBOSYLATION
FACTOR 1

(Arabidopsis
thaliana) 		PF00025
(Arf) 		5 GLY A  29
ALA A  27
ILE A  33
VAL A  91
ILE A  89
 GDP  A 183 (-3.3A)
GDP  A 183 (-4.3A)
None
None
None
 0.96A 4uw0A-3aq4A:
undetectable		 4uw0A-3aq4A:
16.50
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.
3fi1 NA(+)/H(+)
ANTIPORTER NHAA

(Escherichia
coli) 		PF06965
(Na_H_antiport_1) 		5 GLY A 212
ALA A 190
ILE A 209
VAL A 233
ILE A 237
 None
 1.05A 4uw0A-3fi1A:
undetectable		 4uw0A-3fi1A:
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.
3flu DIHYDRODIPICOLINATE
SYNTHASE

(Neisseria
meningitidis) 		PF00701
(DHDPS) 		5 GLY A 165
ALA A 163
PHE A 194
ILE A 167
ILE A 171
 None
SO4  A 293 ( 4.2A)
None
None
None
 1.12A 4uw0A-3fluA:
undetectable		 4uw0A-3fluA:
19.88
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.
3hhs PHENOLOXIDASE
SUBUNIT 2

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 ARG A 237
ARG A 321
ILE A 324
GLU A 325
ILE A 414
 None
 1.02A 4uw0A-3hhsA:
undetectable		 4uw0A-3hhsA:
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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 ARG A 701
GLY A 721
ILE A 779
LEU A 795
VAL A 797
 G  B  22 (-3.9A)
SAH  A 951 (-4.3A)
SAH  A 951 (-3.9A)
SAH  A 951 (-3.9A)
SAH  A 951 (-3.9A)
 0.75A 4uw0A-3htxA:
12.1		 4uw0A-3htxA:
19.62
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.
3i7a PUTATIVE
METAL-DEPENDENT
PHOSPHOHYDROLASE

(Shewanella
amazonensis) 		PF08668
(HDOD) 		5 ALA A 126
GLN A 133
ILE A  93
VAL A  63
ILE A  85
 None
 1.09A 4uw0A-3i7aA:
undetectable		 4uw0A-3i7aA:
20.08
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.
3ing HOMOSERINE
DEHYDROGENASE

(Thermoplasma
acidophilum) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 TYR A 102
ALA A 105
ILE A   6
VAL A  86
ILE A 316
 None
 1.12A 4uw0A-3ingA:
2.0		 4uw0A-3ingA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lrp ADP-RIBOSYLATION
FACTOR 1

(Plasmodium
falciparum) 		PF00025
(Arf) 		5 GLY A  29
ALA A  27
ILE A  33
VAL A  91
ILE A  89
 GDP  A 182 (-3.1A)
GDP  A 182 (-4.3A)
None
None
None
 0.97A 4uw0A-3lrpA:
2.5		 4uw0A-3lrpA:
15.25
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.
3lvr ARF-GAP WITH SH3
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN 3,
ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens;
synthetic
construct) 		PF00025
(Arf)
PF01412
(ArfGap)
PF12796
(Ank_2) 		5 GLY E  25
ALA E  23
ILE E  29
VAL E  87
ILE E  85
 GDP  E 737 (-3.2A)
GDP  E 737 ( 4.4A)
None
None
None
 1.00A 4uw0A-3lvrE:
2.2		 4uw0A-3lvrE:
22.67
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.
3m1r FORMIMIDOYLGLUTAMASE

(Bacillus
subtilis) 		PF00491
(Arginase) 		6 GLY A 124
ALA A  57
ILE A 122
LEU A  44
VAL A  42
ILE A  40
 None
 1.30A 4uw0A-3m1rA:
2.1		 4uw0A-3m1rA:
22.16
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.
3mst PUTATIVE NITRATE
TRANSPORT PROTEIN

(Thermoplasma
volcanium) 		PF12916
(DUF3834) 		5 GLY A 159
ALA A 155
ILE A 163
VAL A  17
ILE A 174
 None
EDO  A 233 (-3.8A)
None
None
None
 1.03A 4uw0A-3mstA:
undetectable		 4uw0A-3mstA:
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.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 ALA A 136
ILE A 127
LEU A 140
VAL A  39
ILE A  90
 None
 0.98A 4uw0A-3nvaA:
undetectable		 4uw0A-3nvaA:
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.
3o47 ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 1,
ADP-RIBOSYLATION
FACTOR 1

(Homo sapiens) 		PF00025
(Arf)
PF01412
(ArfGap) 		5 GLY A 159
ALA A 157
ILE A 163
VAL A 221
ILE A 219
 GDP  A 502 (-3.2A)
GDP  A 502 (-4.4A)
None
None
None
 0.94A 4uw0A-3o47A:
2.1		 4uw0A-3o47A:
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.
3ruy ORNITHINE
AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 GLY A 259
ALA A  51
ILE A  61
VAL A 261
ILE A  62
 LLP  A 255 ( 4.9A)
LLP  A 255 ( 3.9A)
None
None
None
 1.08A 4uw0A-3ruyA:
undetectable		 4uw0A-3ruyA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tgq HIV-1 YU2 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 GLN A 352
ILE A 345
LEU A 453
VAL A 286
ILE A 270
 None
None
None
None
NAG  A 504 (-4.4A)
 0.98A 4uw0A-3tgqA:
undetectable		 4uw0A-3tgqA:
20.16
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.
3u02 PUTATIVE
TRANSCRIPTION-ASSOCI
ATED PROTEIN TFIIS

(Pyrococcus
furiosus) 		PF08489
(DUF1743) 		5 TYR A  79
PHE A  97
ILE A   3
VAL A  72
ILE A  69
 None
 1.00A 4uw0A-3u02A:
undetectable		 4uw0A-3u02A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4at3 BDNF/NT-3 GROWTH
FACTORS RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLY A 621
ALA A 605
ILE A 549
VAL A 632
ILE A 554
 None
 1.12A 4uw0A-4at3A:
5.1		 4uw0A-4at3A:
21.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		6 ARG A  31
ALA A  63
ILE A 110
GLU A 111
VAL A 130
ILE A 134
 SO4  A1475 (-3.8A)
SAM  A1474 (-3.0A)
SAM  A1474 (-3.8A)
SAM  A1474 (-2.5A)
SAM  A1474 ( 3.4A)
SAM  A1474 ( 4.8A)
 1.48A 4uw0A-4azvA:
41.3		 4uw0A-4azvA:
96.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		7 ARG A  36
GLY A  61
ARG A 109
ILE A 110
LEU A 128
VAL A 130
ILE A 134
 SAM  A1474 ( 3.1A)
SAM  A1474 (-3.2A)
SAM  A1474 (-4.8A)
SAM  A1474 (-3.8A)
SAM  A1474 (-4.3A)
SAM  A1474 ( 3.4A)
SAM  A1474 ( 4.8A)
 1.30A 4uw0A-4azvA:
41.3		 4uw0A-4azvA:
96.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		11 TYR A  16
ARG A  36
GLY A  61
ALA A  63
PHE A  83
GLN A  84
ILE A 110
GLU A 111
LEU A 128
VAL A 130
ILE A 134
 SAM  A1474 (-3.5A)
SAM  A1474 ( 3.1A)
SAM  A1474 (-3.2A)
SAM  A1474 (-3.0A)
SAM  A1474 (-3.6A)
SAM  A1474 (-3.9A)
SAM  A1474 (-3.8A)
SAM  A1474 (-2.5A)
SAM  A1474 (-4.3A)
SAM  A1474 ( 3.4A)
SAM  A1474 ( 4.8A)
 0.74A 4uw0A-4azvA:
41.3		 4uw0A-4azvA:
96.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		7 ARG A  31
GLY A  61
ALA A  63
PHE A  83
ARG A 109
GLU A 111
ILE A 134
 SAM  A1451 ( 4.9A)
SAM  A1451 (-3.6A)
SAM  A1451 (-3.7A)
SAM  A1451 (-3.5A)
SAM  A1451 (-3.9A)
SAM  A1451 (-3.1A)
None
 1.38A 4uw0A-4azwA:
42.9		 4uw0A-4azwA:
97.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		8 ARG A  31
GLY A  61
ALA A  63
PHE A  83
ILE A 110
GLU A 111
VAL A 130
ILE A 134
 SAM  A1451 ( 4.9A)
SAM  A1451 (-3.6A)
SAM  A1451 (-3.7A)
SAM  A1451 (-3.5A)
SAM  A1451 (-4.0A)
SAM  A1451 (-3.1A)
SAM  A1451 (-4.6A)
None
 1.30A 4uw0A-4azwA:
42.9		 4uw0A-4azwA:
97.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		10 TYR A  16
ARG A  36
GLY A  61
ALA A  63
PHE A  83
GLN A  84
ARG A 109
GLU A 111
LEU A 128
ILE A 134
 SAM  A1451 (-3.6A)
SAM  A1451 (-3.2A)
SAM  A1451 (-3.6A)
SAM  A1451 (-3.7A)
SAM  A1451 (-3.5A)
SAM  A1451 (-4.2A)
SAM  A1451 (-3.9A)
SAM  A1451 (-3.1A)
SAM  A1451 (-4.1A)
None
 0.82A 4uw0A-4azwA:
42.9		 4uw0A-4azwA:
97.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		11 TYR A  16
ARG A  36
GLY A  61
ALA A  63
PHE A  83
GLN A  84
ILE A 110
GLU A 111
LEU A 128
VAL A 130
ILE A 134
 SAM  A1451 (-3.6A)
SAM  A1451 (-3.2A)
SAM  A1451 (-3.6A)
SAM  A1451 (-3.7A)
SAM  A1451 (-3.5A)
SAM  A1451 (-4.2A)
SAM  A1451 (-4.0A)
SAM  A1451 (-3.1A)
SAM  A1451 (-4.1A)
SAM  A1451 (-4.6A)
None
 0.72A 4uw0A-4azwA:
42.9		 4uw0A-4azwA:
97.03
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.
4cxo ENDONUCLEASE 2

(Arabidopsis
thaliana) 		PF02265
(S1-P1_nuclease) 		5 ARG A 260
GLN A 245
ILE A 185
VAL A 252
ILE A  12
 None
 1.03A 4uw0A-4cxoA:
undetectable		 4uw0A-4cxoA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ep0 MAJOR TAIL PROTEIN

(Streptococcus
virus C1) 		PF16838
(Caud_tail_N) 		5 ARG A  49
ILE A   6
LEU A  55
VAL A  57
ILE A  59
 None
 1.00A 4uw0A-4ep0A:
undetectable		 4uw0A-4ep0A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fme ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens) 		PF00025
(Arf) 		5 GLY C  25
ALA C  23
ILE C  29
VAL C  87
ILE C  85
 GTP  C 201 (-3.0A)
GTP  C 201 (-4.5A)
None
None
None
 0.98A 4uw0A-4fmeC:
2.3		 4uw0A-4fmeC:
17.18
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.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		5 GLY A 260
ALA A 257
GLU A 268
LEU A 242
ILE A 231
 None
FMT  A 304 ( 4.0A)
None
None
None
 1.10A 4uw0A-4hesA:
undetectable		 4uw0A-4hesA:
19.92
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.
4ixo NIFS-LIKE PROTEIN

(Rickettsia
africae) 		PF00266
(Aminotran_5) 		5 GLY A 117
ILE A  93
GLU A  94
VAL A 149
ILE A 141
 None
 0.98A 4uw0A-4ixoA:
undetectable		 4uw0A-4ixoA:
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.
4ldz TRANSCRIPTIONAL
REGULATORY PROTEIN
DESR

(Bacillus
subtilis) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 GLY A  18
ALA A  16
ILE A   4
LEU A  23
ILE A 113
 None
None
None
GOL  A 204 ( 4.6A)
None
 1.08A 4uw0A-4ldzA:
2.7		 4uw0A-4ldzA:
17.65
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.
4le1 TRANSCRIPTIONAL
REGULATORY PROTEIN
DESR

(Bacillus
subtilis) 		PF00072
(Response_reg) 		5 GLY A  18
ALA A  16
ILE A   4
LEU A  23
ILE A 113
 None
 1.12A 4uw0A-4le1A:
3.0		 4uw0A-4le1A:
14.52
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.
4nf0 PROBABLE
C4-DICARBOXYLATE-BIN
DING PROTEIN

(Pseudomonas
aeruginosa) 		PF03480
(DctP) 		5 GLY A 149
ALA A 273
ARG A 281
GLU A 230
LEU A 119
 None
 0.97A 4uw0A-4nf0A:
undetectable		 4uw0A-4nf0A:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 GLY A  59
ALA A 185
ILE A 162
GLU A 166
LEU A  61
 None
 1.12A 4uw0A-4nnbA:
undetectable		 4uw0A-4nnbA:
24.26
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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ALA A 383
PHE A 368
ILE A 366
LEU A 389
ILE A 307
 None
 1.08A 4uw0A-4s17A:
undetectable		 4uw0A-4s17A:
23.91
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.
4xk8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pisum sativum) 		PF02605
(PsaL) 		5 GLY L  85
ALA L  83
ILE L 144
LEU L  60
VAL L 147
 None
BCR  L 201 ( 3.9A)
None
None
None
 1.05A 4uw0A-4xk8L:
undetectable		 4uw0A-4xk8L:
16.56
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.
4xny LIGHT CHAIN OF
ANTIBODY VRC08C

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TYR L  36
GLY L  97
GLN L   6
ILE L   2
ILE L  28
 None
 1.00A 4uw0A-4xnyL:
undetectable		 4uw0A-4xnyL:
17.10
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.
4ylg ADP-RIBOSYLATION
FACTOR

(Entamoeba
histolytica) 		PF00025
(Arf) 		5 GLY A  25
ALA A  23
ILE A  29
VAL A  87
ILE A  85
 GDP  A 201 (-3.3A)
GDP  A 201 (-4.2A)
None
None
None
 0.95A 4uw0A-4ylgA:
undetectable		 4uw0A-4ylgA:
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.
5a7x HIV-1 YU2 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 GLN A 352
ILE A 345
LEU A 453
VAL A 286
ILE A 270
 NAG  A 734 (-4.6A)
None
None
None
NAG  A 789 (-3.3A)
 1.07A 4uw0A-5a7xA:
undetectable		 4uw0A-5a7xA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II) 		5 ARG A 455
ALA A 304
ILE A 298
VAL A 337
ILE A 339
 None
 0.94A 4uw0A-5b47A:
undetectable		 4uw0A-5b47A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b48 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N) 		5 ARG A 455
ALA A 304
ILE A 298
VAL A 337
ILE A 339
 None
 0.85A 4uw0A-5b48A:
2.8		 4uw0A-5b48A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 5 GLY A 112
ALA A 124
LEU A 196
VAL A 103
ILE A 233
 None
 1.08A 4uw0A-5b5zA:
2.4		 4uw0A-5b5zA:
19.84
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.
5d8m METAGENOMIC CARBOXYL
ESTERASE MGS0156

(uncultured
organism) 		no annotation 5 ARG A 185
ILE A 213
LEU A 165
VAL A 198
ILE A 212
 None
 1.01A 4uw0A-5d8mA:
1.8		 4uw0A-5d8mA:
21.79
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.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		5 GLY A  44
ALA A  41
GLN A 261
ILE A 254
ILE A 714
 None
 1.11A 4uw0A-5e3cA:
undetectable		 4uw0A-5e3cA:
23.11
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.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 GLY A  51
ILE A  26
GLU A  30
LEU A  41
VAL A  39
 None
 1.05A 4uw0A-5eoeA:
undetectable		 4uw0A-5eoeA:
19.76
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.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 GLY A  51
ILE A  26
LEU A  41
VAL A  39
ILE A  37
 None
 0.99A 4uw0A-5eoeA:
undetectable		 4uw0A-5eoeA:
19.76
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.
5i7z LD29223P

(Drosophila
melanogaster) 		PF00595
(PDZ) 		5 ALA A 227
ARG A 177
ILE A 176
VAL A 218
ILE A 197
 None
 1.06A 4uw0A-5i7zA:
undetectable		 4uw0A-5i7zA:
11.83
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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		6 GLY A 427
ALA A 422
PHE A 426
GLN A 263
ILE A 429
ILE A 272
 None
None
None
None
ACT  A1001 ( 4.4A)
ACT  A1001 (-4.4A)
 1.50A 4uw0A-5j78A:
4.2		 4uw0A-5j78A:
19.56
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.
5j8n EXODEOXYRIBONUCLEASE
III

(Methanosarcina
mazei) 		PF03372
(Exo_endo_phos) 		5 GLY A 253
ALA A 238
ARG A  31
ILE A   8
ILE A 244
 None
 1.00A 4uw0A-5j8nA:
undetectable		 4uw0A-5j8nA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		5 TYR A 112
GLY A 167
ALA A 165
ILE A 204
ILE A 184
 None
 1.01A 4uw0A-5msyA:
undetectable		 4uw0A-5msyA:
20.11
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 5 GLY A1263
ALA A1259
ILE A 913
VAL A1004
ILE A1002
 None
 0.99A 4uw0A-5ng6A:
undetectable		 4uw0A-5ng6A:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo sapiens) 		no annotation 5 GLY A 450
ILE A 447
LEU A  41
VAL A  37
ILE A  19
 GLY  A 450 ( 0.0A)
ILE  A 447 ( 0.6A)
LEU  A  41 ( 0.5A)
VAL  A  37 ( 0.6A)
ILE  A  19 ( 0.7A)
 0.82A 4uw0A-5nksA:
undetectable		 4uw0A-5nksA:
20.91
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.
5ol2 ACYL-COA
DEHYDROGENASE

(Clostridioides
difficile) 		no annotation 5 GLY C  93
ALA C  88
ILE C  97
VAL C 166
ILE C 184
 None
 1.13A 4uw0A-5ol2C:
undetectable		 4uw0A-5ol2C:
21.18
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.
5uf8 POTENTIAL
ADP-RIBOSYLATION
FACTOR

(Candida
albicans) 		PF00025
(Arf) 		5 GLY A  29
ALA A  27
ILE A  33
VAL A  91
ILE A  89
 GDP  A 500 (-3.2A)
GDP  A 500 (-4.2A)
None
None
None
 0.94A 4uw0A-5uf8A:
undetectable		 4uw0A-5uf8A:
16.09
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.
5vn3 ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 GLN G 352
ILE G 345
LEU G 453
VAL G 286
ILE G 270
 None
 0.91A 4uw0A-5vn3G:
undetectable		 4uw0A-5vn3G:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bbp CYTOHESIN-3,ADP-RIBO
SYLATION FACTOR 6

(Homo sapiens;
Mus musculus) 		no annotation 5 GLY A 423
ALA A 421
ILE A 427
VAL A 485
ILE A 483
 GTP  A 601 (-3.3A)
GTP  A 601 (-4.2A)
None
None
None
 0.93A 4uw0A-6bbpA:
2.3		 4uw0A-6bbpA:
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.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 5 GLY A 890
ARG A 831
ILE A 833
LEU A 888
ILE A 840
 None
 0.97A 4uw0A-6brrA:
6.9		 4uw0A-6brrA:
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 TYR A 363
PHE A 335
ILE A 332
VAL A 261
ILE A 259
 None
 1.12A 4uw0A-6ekvA:
undetectable		 4uw0A-6ekvA:
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 6 GLY I 279
ALA I 275
ILE I 283
LEU I 263
VAL I 236
ILE I 293
 None
 1.38A 4uw0A-6esqI:
undetectable		 4uw0A-6esqI:
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.
6eu2 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC6

(Saccharomyces
cerevisiae) 		no annotation 5 ALA P 228
ILE P 221
LEU P 178
VAL P 182
ILE P 186
 None
 1.12A 4uw0A-6eu2P:
undetectable		 4uw0A-6eu2P:
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.
6fae ADP-RIBOSYLATION
FACTOR 1

(Homo sapiens) 		no annotation 5 GLY B  29
ALA B  27
ILE B  33
VAL B  91
ILE B  89
 None
 1.01A 4uw0A-6faeB:
2.0		 4uw0A-6faeB:
undetectable