SIMILAR PATTERNS OF AMINO ACIDS FOR 1N13_L_AG2L7014

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.
1b3q PROTEIN (CHEMOTAXIS
PROTEIN CHEA)

(Thermotoga
maritima) 		PF01584
(CheW)
PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		4 LEU A 517
ILE A 300
GLU A 398
ARG A 354
 None
 1.02A 1n13I-1b3qA:
undetectable
1n13L-1b3qA:
undetectable		 1n13I-1b3qA:
12.16
1n13L-1b3qA:
14.71
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.
1b9b PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Thermotoga
maritima) 		PF00121
(TIM) 		4 ASP A 230
LEU A 210
ILE A 207
ARG A 192
 None
 0.97A 1n13I-1b9bA:
undetectable
1n13L-1b9bA:
0.0		 1n13I-1b9bA:
13.17
1n13L-1b9bA:
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.
1bhw XYLOSE ISOMERASE

(Actinoplanes
missouriensis) 		PF01261
(AP_endonuc_2) 		4 LEU A 134
LEU A 162
ILE A 116
MET A 123
 None
 0.99A 1n13I-1bhwA:
0.0
1n13L-1bhwA:
0.0		 1n13I-1bhwA:
9.04
1n13L-1bhwA:
14.11
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.
1ecm ENDO-OXABICYCLIC
TRANSITION STATE
ANALOGUE

(Escherichia
coli) 		PF01817
(CM_2) 		4 LEU A  79
ASP A  83
LEU A  86
ARG A  29
 None
 0.97A 1n13I-1ecmA:
undetectable
1n13L-1ecmA:
undetectable		 1n13I-1ecmA:
18.52
1n13L-1ecmA:
19.51
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 LEU 1 343
ASP 1 252
LEU 1 188
ARG 1 248
 None
 0.71A 1n13I-1gt91:
0.0
1n13L-1gt91:
0.0		 1n13I-1gt91:
9.86
1n13L-1gt91:
13.55
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		4 LEU A  35
LEU A  45
ILE A  52
MET A  95
 None
None
None
NAG  A 461 (-3.7A)
 0.88A 1n13I-1ituA:
0.0
1n13L-1ituA:
0.0		 1n13I-1ituA:
10.03
1n13L-1ituA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		4 LEU C 329
LEU C 560
ILE C 602
GLU C 325
 None
 1.07A 1n13I-1j3jC:
undetectable
1n13L-1j3jC:
0.0		 1n13I-1j3jC:
8.98
1n13L-1j3jC:
18.15
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.
1ldj CULLIN HOMOLOG 1

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 LEU A 287
LEU A 279
ILE A 201
GLU A 271
 None
 1.03A 1n13I-1ldjA:
undetectable
1n13L-1ldjA:
0.0		 1n13I-1ldjA:
5.69
1n13L-1ldjA:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ors 33H1 FAB HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP B  90
LEU B  18
ILE B  68
ARG B  67
 None
 1.01A 1n13I-1orsB:
undetectable
1n13L-1orsB:
0.0		 1n13I-1orsB:
11.06
1n13L-1orsB:
19.05
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
9 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF08992
(QH-AmDH_gamma)
no annotation 		4 LEU C  51
ASP C  39
LEU B 327
ARG B   9
 None
None
TRW  C  43 ( 4.2A)
None
 0.87A 1n13I-1pbyC:
undetectable
1n13L-1pbyC:
undetectable		 1n13I-1pbyC:
22.67
1n13L-1pbyC:
23.23
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.
1pdk PROTEIN (PROTEIN
PAPK)

(Escherichia
coli) 		PF00419
(Fimbrial) 		4 LEU B 123
LEU B 154
ILE B  62
GLU B 114
 None
 1.05A 1n13I-1pdkB:
undetectable
1n13L-1pdkB:
undetectable		 1n13I-1pdkB:
20.00
1n13L-1pdkB:
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.
1s5t DIHYDRODIPICOLINATE
SYNTHASE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 LEU A 236
ASP A 188
LEU A 243
MET A 214
 None
 1.00A 1n13I-1s5tA:
0.0
1n13L-1s5tA:
undetectable		 1n13I-1s5tA:
14.22
1n13L-1s5tA:
15.92
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		4 LEU A 532
ASP A 441
LEU A 377
ARG A 437
 None
 0.80A 1n13I-1t1eA:
0.0
1n13L-1t1eA:
undetectable		 1n13I-1t1eA:
7.32
1n13L-1t1eA:
10.26
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.
1t8h YLMD PROTEIN
SEQUENCE HOMOLOGUE

(Geobacillus
stearothermophilus) 		PF02578
(Cu-oxidase_4) 		4 LEU A 137
LEU A 118
ILE A  84
GLU A 164
 None
 1.06A 1n13I-1t8hA:
undetectable
1n13L-1t8hA:
undetectable		 1n13I-1t8hA:
10.70
1n13L-1t8hA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		4 LEU A 168
ASP A 172
LEU A 175
ARG A 126
 None
 0.99A 1n13I-1tltA:
undetectable
1n13L-1tltA:
undetectable		 1n13I-1tltA:
10.06
1n13L-1tltA:
16.51
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.
1u3d CRYPTOCHROME 1
APOPROTEIN

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 LEU A  67
ASP A  71
LEU A  74
ILE A  82
 None
 0.82A 1n13I-1u3dA:
undetectable
1n13L-1u3dA:
undetectable		 1n13I-1u3dA:
7.71
1n13L-1u3dA:
12.57
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.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		4 LEU A  94
ASP A  96
LEU A  97
ARG A 271
 None
SAM  A3142 (-3.5A)
None
SAM  A3142 (-3.2A)
 1.00A 1n13I-1wg8A:
undetectable
1n13L-1wg8A:
undetectable		 1n13I-1wg8A:
13.25
1n13L-1wg8A:
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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE

(Spinacia
oleracea) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 LEU I 323
LEU I 479
ILE I 490
GLU I 496
 HIO  I 603 ( 4.4A)
None
None
HIO  I 603 (-2.8A)
 1.06A 1n13I-1yveI:
undetectable
1n13L-1yveI:
undetectable		 1n13I-1yveI:
7.07
1n13L-1yveI:
12.60
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.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

(Saccharomyces
cerevisiae) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A 320
LEU A 318
MET A 455
ARG A 427
 None
NAG  A2005 (-4.7A)
None
None
 1.00A 1n13I-1zpuA:
undetectable
1n13L-1zpuA:
undetectable		 1n13I-1zpuA:
7.04
1n13L-1zpuA:
11.24
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.
2chg REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA) 		4 ASP A  61
LEU A  58
ILE A  26
GLU A  34
 None
 0.88A 1n13I-2chgA:
undetectable
1n13L-2chgA:
undetectable		 1n13I-2chgA:
13.99
1n13L-2chgA:
20.27
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.
2chq REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		4 ASP A  61
LEU A  58
ILE A  26
GLU A  34
 None
 0.99A 1n13I-2chqA:
undetectable
1n13L-2chqA:
undetectable		 1n13I-2chqA:
10.19
1n13L-2chqA:
16.88
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.
2g42 HYPOTHETICAL PROTEIN
TM_0693

(Thermotoga
maritima) 		no annotation 4 LEU A  52
ASP A  48
LEU A  45
ARG A  29
 None
 0.87A 1n13I-2g42A:
undetectable
1n13L-2g42A:
undetectable		 1n13I-2g42A:
24.32
1n13L-2g42A:
23.89
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.
2gaf POLY(A) POLYMERASE
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03296
(Pox_polyA_pol)
PF12629
(Pox_polyA_pol_C)
PF12630
(Pox_polyA_pol_N) 		4 LEU D 373
ASP D 369
LEU D 366
ILE D 343
 None
 0.95A 1n13I-2gafD:
undetectable
1n13L-2gafD:
undetectable		 1n13I-2gafD:
9.11
1n13L-2gafD:
12.62
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.
2h8o GERANYLTRANSTRANSFER
ASE

(Agrobacterium
fabrum) 		PF00348
(polyprenyl_synt) 		4 LEU A 267
ASP A 263
LEU A 260
ILE A 214
 None
 1.07A 1n13I-2h8oA:
undetectable
1n13L-2h8oA:
undetectable		 1n13I-2h8oA:
10.75
1n13L-2h8oA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 LEU A 467
ASP A 466
LEU A 289
ARG A 297
 None
 0.92A 1n13I-2jgpA:
undetectable
1n13L-2jgpA:
undetectable		 1n13I-2jgpA:
8.52
1n13L-2jgpA:
11.37
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 LEU A 199
ASP A 145
ILE A 333
ARG A 277
 None
 0.92A 1n13I-2p3xA:
undetectable
1n13L-2p3xA:
undetectable		 1n13I-2p3xA:
10.62
1n13L-2p3xA:
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		4 LEU A 284
ASP A 280
LEU A 276
ARG A 132
 None
 0.72A 1n13I-2pbgA:
undetectable
1n13L-2pbgA:
undetectable		 1n13I-2pbgA:
8.62
1n13L-2pbgA:
13.23
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.
2qmi PBP RELATED
BETA-LACTAMASE

(Pyrococcus
abyssi) 		PF00144
(Beta-lactamase)
PF13969
(Pab87_oct) 		4 LEU A 189
ASP A 243
LEU A 244
ILE A  54
 None
 1.04A 1n13I-2qmiA:
undetectable
1n13L-2qmiA:
undetectable		 1n13I-2qmiA:
9.17
1n13L-2qmiA:
15.24
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.
2rdx MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
PUTATIVE

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 322
ASP A 321
LEU A 342
ARG A 137
 None
 1.06A 1n13I-2rdxA:
undetectable
1n13L-2rdxA:
undetectable		 1n13I-2rdxA:
11.52
1n13L-2rdxA:
15.01
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 LEU B 440
LEU B 188
ILE B  30
GLU B 471
 None
 0.97A 1n13I-2rhqB:
undetectable
1n13L-2rhqB:
1.3		 1n13I-2rhqB:
5.91
1n13L-2rhqB:
10.14
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		4 LEU A 728
LEU A 762
ILE A 910
GLU A 698
 None
 0.94A 1n13I-2vcaA:
undetectable
1n13L-2vcaA:
undetectable		 1n13I-2vcaA:
5.53
1n13L-2vcaA:
8.06
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.
2we8 XANTHINE
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF02625
(XdhC_CoxI)
PF13478
(XdhC_C) 		4 LEU A 172
ASP A 168
GLU A 179
ARG A 189
 None
 1.06A 1n13I-2we8A:
undetectable
1n13L-2we8A:
undetectable		 1n13I-2we8A:
9.33
1n13L-2we8A:
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.
2wv3 NEUROPLASTIN

(Rattus
norvegicus) 		PF13927
(Ig_3) 		4 LEU A 186
ASP A 165
GLU A 102
ARG A 143
 None
 1.01A 1n13I-2wv3A:
undetectable
1n13L-2wv3A:
undetectable		 1n13I-2wv3A:
15.08
1n13L-2wv3A:
19.58
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 LEU A  40
ASP A  36
LEU A  33
ARG A 404
 None
 0.78A 1n13I-2ynkA:
undetectable
1n13L-2ynkA:
undetectable		 1n13I-2ynkA:
7.69
1n13L-2ynkA:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		4 LEU A 547
LEU A 539
ILE A 561
GLU A 737
 None
 1.07A 1n13I-3aibA:
undetectable
1n13L-3aibA:
undetectable		 1n13I-3aibA:
5.58
1n13L-3aibA:
8.06
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.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF07517
(SecA_DEAD) 		4 LEU A  89
LEU A 114
ILE A  64
MET A  21
 None
 0.95A 1n13I-3bxzA:
undetectable
1n13L-3bxzA:
undetectable		 1n13I-3bxzA:
7.58
1n13L-3bxzA:
11.68
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.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 LEU A 257
ASP A 273
LEU A 319
GLU A 252
 None
 1.07A 1n13I-3dlaA:
undetectable
1n13L-3dlaA:
undetectable		 1n13I-3dlaA:
7.28
1n13L-3dlaA:
10.46
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.
3fr8 PUTATIVE KETOL-ACID
REDUCTOISOMERASE
(OS05G0573700
PROTEIN)

(Oryza sativa) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 LEU A 323
LEU A 479
ILE A 490
GLU A 496
 None
None
None
MG  A   1 ( 3.0A)
 1.01A 1n13I-3fr8A:
undetectable
1n13L-3fr8A:
undetectable		 1n13I-3fr8A:
7.47
1n13L-3fr8A:
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		4 LEU A 312
LEU A 414
ILE A 478
MET A 547
 None
 1.03A 1n13I-3gf7A:
undetectable
1n13L-3gf7A:
undetectable		 1n13I-3gf7A:
7.55
1n13L-3gf7A:
12.24
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 LEU A 425
LEU A 472
ILE A 439
GLU A 431
 None
 0.95A 1n13I-3hmjA:
undetectable
1n13L-3hmjA:
0.0		 1n13I-3hmjA:
2.40
1n13L-3hmjA:
4.66
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.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A 344
ASP A 401
ILE A  24
GLU A 323
 None
 0.82A 1n13I-3k92A:
undetectable
1n13L-3k92A:
undetectable		 1n13I-3k92A:
8.70
1n13L-3k92A:
14.77
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.
3lcv SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM

(Micromonospora
zionensis) 		PF07091
(FmrO) 		4 ASP B 182
LEU B 183
ILE B  60
ARG B  33
 SAM  B 301 (-3.1A)
SAM  B 301 (-4.0A)
SAM  B 301 (-4.2A)
SAM  B 301 ( 4.7A)
 1.03A 1n13I-3lcvB:
undetectable
1n13L-3lcvB:
undetectable		 1n13I-3lcvB:
10.99
1n13L-3lcvB:
17.79
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.
3lvg CLATHRIN HEAVY CHAIN
1

(Bos taurus) 		PF00637
(Clathrin) 		4 LEU A1361
LEU A1336
ILE A1345
GLU A1353
 None
 0.86A 1n13I-3lvgA:
undetectable
1n13L-3lvgA:
undetectable		 1n13I-3lvgA:
8.03
1n13L-3lvgA:
10.75
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.
3npe 9-CIS-EPOXYCAROTENOI
D DIOXYGENASE 1,
CHLOROPLASTIC

(Zea mays) 		PF03055
(RPE65) 		4 LEU A 229
LEU A 238
ILE A 206
GLU A  99
 None
 1.06A 1n13I-3npeA:
undetectable
1n13L-3npeA:
undetectable		 1n13I-3npeA:
10.91
1n13L-3npeA:
12.16
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.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ASP A  18
LEU A 130
GLU A  65
ARG A 133
 None
 0.89A 1n13I-3nwrA:
undetectable
1n13L-3nwrA:
undetectable		 1n13I-3nwrA:
8.00
1n13L-3nwrA:
12.53
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.
3ozx RNASE L INHIBITOR

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		4 LEU A 520
ASP A 524
LEU A 549
ARG A 566
 None
 1.04A 1n13I-3ozxA:
undetectable
1n13L-3ozxA:
undetectable		 1n13I-3ozxA:
7.82
1n13L-3ozxA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 311
LEU A 358
ILE A 372
MET A 339
 None
 1.01A 1n13I-3pfeA:
undetectable
1n13L-3pfeA:
undetectable		 1n13I-3pfeA:
7.26
1n13L-3pfeA:
12.50
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.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		4 LEU A 482
LEU A 475
MET A 372
GLU A 167
 None
HEM  A 900 ( 4.9A)
None
None
 1.07A 1n13I-3pm0A:
undetectable
1n13L-3pm0A:
undetectable		 1n13I-3pm0A:
7.82
1n13L-3pm0A:
10.58
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.
3qmw THIOESTERASE

(Streptomyces
coelicolor) 		PF00975
(Thioesterase) 		4 ASP A 186
LEU A 183
MET A 108
ARG A  69
 None
 1.07A 1n13I-3qmwA:
undetectable
1n13L-3qmwA:
undetectable		 1n13I-3qmwA:
10.81
1n13L-3qmwA:
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		4 ASP A 462
LEU A 458
ILE A 467
ARG A   8
 None
 1.00A 1n13I-3qp9A:
undetectable
1n13L-3qp9A:
undetectable		 1n13I-3qp9A:
5.92
1n13L-3qp9A:
11.72
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.
3t5v NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 LEU B 407
LEU B 372
ILE B 311
MET B 340
 None
 1.06A 1n13I-3t5vB:
undetectable
1n13L-3t5vB:
undetectable		 1n13I-3t5vB:
8.20
1n13L-3t5vB:
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.
3tkl LIDA PROTEIN,
SUBSTRATE OF THE
DOT/ICM SYSTEM

(Legionella
pneumophila) 		no annotation 4 LEU B 434
LEU B 441
MET B 402
GLU B 401
 None
 1.02A 1n13I-3tklB:
undetectable
1n13L-3tklB:
undetectable		 1n13I-3tklB:
10.20
1n13L-3tklB:
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.
3ud2 ANKYRIN-1

(Homo sapiens) 		no annotation 4 LEU C1069
ASP C1003
GLU C 968
ARG C1210
 None
 0.91A 1n13I-3ud2C:
undetectable
1n13L-3ud2C:
undetectable		 1n13I-3ud2C:
9.82
1n13L-3ud2C:
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.
3w0k BIFUNCTIONAL
ENDOMANNANASE/ENDOGL
UCANASE

(Caldanaerobius
polysaccharolyticus) 		PF00150
(Cellulase) 		4 LEU A 280
ASP A 276
GLU A 283
ARG A 272
 None
 1.06A 1n13I-3w0kA:
undetectable
1n13L-3w0kA:
undetectable		 1n13I-3w0kA:
12.54
1n13L-3w0kA:
15.24
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.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		4 LEU A  84
LEU A 270
ILE A 156
GLU A 162
 None
 1.01A 1n13I-3wrtA:
undetectable
1n13L-3wrtA:
undetectable		 1n13I-3wrtA:
10.91
1n13L-3wrtA:
16.62
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.
3zdp NUCLEOCAPSID PROTEIN

(Influenza A
virus) 		PF00506
(Flu_NP) 		4 LEU A  79
LEU A 133
ILE A 116
GLU A  81
 None
 1.06A 1n13I-3zdpA:
undetectable
1n13L-3zdpA:
undetectable		 1n13I-3zdpA:
9.58
1n13L-3zdpA:
12.27
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.
3zpc RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Acinetobacter
baumannii) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		4 LEU A 274
LEU A 295
ILE A 198
MET A 251
 None
 1.07A 1n13I-3zpcA:
undetectable
1n13L-3zpcA:
undetectable		 1n13I-3zpcA:
8.75
1n13L-3zpcA:
14.17
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.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		4 LEU A  92
ASP A  96
ILE A  39
GLU A 193
 None
K  A1497 (-4.0A)
None
None
 0.90A 1n13I-4a0mA:
undetectable
1n13L-4a0mA:
undetectable		 1n13I-4a0mA:
7.19
1n13L-4a0mA:
12.30
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.
4buj ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 LEU C 343
ASP C 385
LEU C 384
ILE C  19
 None
 1.02A 1n13I-4bujC:
undetectable
1n13L-4bujC:
undetectable		 1n13I-4bujC:
10.03
1n13L-4bujC:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1n CARBON MONOXIDE
DEHYDROGENASE
CORRINOID/IRON-SULFU
R PROTEIN, GAMMA
SUBUNIT
CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE,
IRON-SULFUR PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF03599
(CdhD)
PF04060
(FeS) 		4 LEU A 301
LEU A 308
ILE B 217
GLU B 255
 None
 1.05A 1n13I-4c1nA:
undetectable
1n13L-4c1nA:
undetectable		 1n13I-4c1nA:
9.74
1n13L-4c1nA:
13.98
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.
4eoc PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE

(Synechocystis
sp. PCC 6803) 		PF05996
(Fe_bilin_red) 		4 LEU A 243
ASP A 245
GLU A  76
ARG A  71
 BLA  A1001 (-4.6A)
None
None
None
 1.00A 1n13I-4eocA:
undetectable
1n13L-4eocA:
undetectable		 1n13I-4eocA:
17.31
1n13L-4eocA:
19.83
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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 LEU A 305
ASP A 301
LEU A 298
MET A 136
 None
 1.06A 1n13I-4ga6A:
0.0
1n13L-4ga6A:
undetectable		 1n13I-4ga6A:
7.86
1n13L-4ga6A:
13.75
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.
4gtu GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 LEU A  20
LEU A  76
ILE A  69
MET A   2
 None
 1.04A 1n13I-4gtuA:
undetectable
1n13L-4gtuA:
undetectable		 1n13I-4gtuA:
16.06
1n13L-4gtuA:
18.89
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		4 ASP A  92
LEU A  87
GLU A  99
ARG A  52
 None
 0.93A 1n13I-4gxwA:
undetectable
1n13L-4gxwA:
undetectable		 1n13I-4gxwA:
10.09
1n13L-4gxwA:
14.89
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.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 ASP A 233
LEU A 236
ILE A 138
GLU A 133
 None
None
None
UNL  A 301 ( 2.7A)
 1.05A 1n13I-4jyjA:
undetectable
1n13L-4jyjA:
undetectable		 1n13I-4jyjA:
9.27
1n13L-4jyjA:
17.75
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		4 LEU A 530
ASP A 528
LEU A 527
ILE A 519
 None
 1.02A 1n13I-4kvlA:
undetectable
1n13L-4kvlA:
undetectable		 1n13I-4kvlA:
6.38
1n13L-4kvlA:
11.00
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.
4m88 EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Verminephrobacter
eiseniae) 		PF13458
(Peripla_BP_6) 		4 LEU A  21
ASP A  17
LEU A  14
GLU A 287
 None
 0.99A 1n13I-4m88A:
undetectable
1n13L-4m88A:
undetectable		 1n13I-4m88A:
10.00
1n13L-4m88A:
14.57
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.
4mm1 GERANYLGERANYLGLYCER
YL PHOSPHATE
SYNTHASE

(Methanothermobacter
thermautotrophicus) 		PF01884
(PcrB) 		4 LEU A 126
LEU A  21
ILE A  76
GLU A 124
 None
 0.94A 1n13I-4mm1A:
undetectable
1n13L-4mm1A:
undetectable		 1n13I-4mm1A:
12.55
1n13L-4mm1A:
19.83
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 ASP A 191
LEU A 190
GLU A 381
ARG A 136
 None
 1.03A 1n13I-4nmeA:
undetectable
1n13L-4nmeA:
undetectable		 1n13I-4nmeA:
4.57
1n13L-4nmeA:
6.77
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		4 LEU A 235
ASP A 187
LEU A 242
MET A 213
 None
 0.94A 1n13I-4nq1A:
undetectable
1n13L-4nq1A:
undetectable		 1n13I-4nq1A:
11.38
1n13L-4nq1A:
19.66
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.
4q5n GLUTHATIONE
S-TRANSFERASE BLO T
8 ISOFORM

(Blomia
tropicalis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 LEU A 171
LEU A  21
ILE A  80
GLU A 105
 None
 1.02A 1n13I-4q5nA:
undetectable
1n13L-4q5nA:
undetectable		 1n13I-4q5nA:
14.78
1n13L-4q5nA:
17.99
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.
4trq NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 LEU B 407
LEU B 372
ILE B 311
MET B 340
 None
 1.02A 1n13I-4trqB:
undetectable
1n13L-4trqB:
undetectable		 1n13I-4trqB:
9.93
1n13L-4trqB:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u7d ATP-DEPENDENT DNA
HELICASE Q1

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		4 LEU A  97
LEU A 121
ILE A  82
GLU A  71
 None
 1.04A 1n13I-4u7dA:
undetectable
1n13L-4u7dA:
undetectable		 1n13I-4u7dA:
6.93
1n13L-4u7dA:
12.05
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.
4ubs PENTALENIC ACID
SYNTHASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 LEU A 234
LEU A 212
ILE A 217
GLU A 230
 None
 1.07A 1n13I-4ubsA:
undetectable
1n13L-4ubsA:
undetectable		 1n13I-4ubsA:
9.11
1n13L-4ubsA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 LEU A 269
ASP A 272
LEU A 318
ARG A 328
 None
 0.86A 1n13I-4umvA:
undetectable
1n13L-4umvA:
undetectable		 1n13I-4umvA:
4.92
1n13L-4umvA:
8.95
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.
4xni DI-OR TRIPEPTIDE:H+
SYMPORTER

(Streptococcus
thermophilus) 		PF00854
(PTR2) 		4 LEU A  36
LEU A  43
ILE A  51
MET A  60
 None
 1.05A 1n13I-4xniA:
undetectable
1n13L-4xniA:
undetectable		 1n13I-4xniA:
8.61
1n13L-4xniA:
11.84
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.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 LEU A 215
ASP A 248
ILE A  76
GLU A 208
 None
 1.03A 1n13I-4ye5A:
undetectable
1n13L-4ye5A:
1.6		 1n13I-4ye5A:
8.76
1n13L-4ye5A:
10.56
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		4 LEU A 247
ASP A 345
LEU A 405
ILE A 330
 None
 1.02A 1n13I-4yj1A:
undetectable
1n13L-4yj1A:
undetectable		 1n13I-4yj1A:
9.40
1n13L-4yj1A:
11.87
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		4 LEU A  70
ASP A 339
LEU A 308
ARG A 296
 None
 0.85A 1n13I-4yyfA:
undetectable
1n13L-4yyfA:
undetectable		 1n13I-4yyfA:
9.12
1n13L-4yyfA:
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.
4z2e DNA GYRASE SUBUNIT A

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV) 		4 LEU A 447
ASP A 450
ILE A 464
ARG A 460
 None
 0.88A 1n13I-4z2eA:
undetectable
1n13L-4z2eA:
undetectable		 1n13I-4z2eA:
8.01
1n13L-4z2eA:
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		4 ASP A 263
LEU A 306
ILE A  91
ARG A  86
 None
 1.02A 1n13I-4zo3A:
undetectable
1n13L-4zo3A:
undetectable		 1n13I-4zo3A:
9.97
1n13L-4zo3A:
17.44
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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		4 LEU A 681
ASP A 678
LEU A 674
ARG A 737
 None
 0.83A 1n13I-5gl7A:
undetectable
1n13L-5gl7A:
undetectable		 1n13I-5gl7A:
8.70
1n13L-5gl7A:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		4 LEU A 216
ASP A 212
LEU A 209
ARG A 280
 None
 0.78A 1n13I-5h3oA:
undetectable
1n13L-5h3oA:
undetectable		 1n13I-5h3oA:
5.75
1n13L-5h3oA:
8.77
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.
5ikj CRYPTIC LOCI
REGULATOR 2
CRYPTIC LOCI
REGULATOR PROTEIN 1

(Schizosaccharomyces
pombe) 		PF10383
(Clr2)
PF16761
(Clr2_transil)
no annotation 		4 ASP A 382
LEU A 383
GLU B1226
ARG A 232
 None
 1.06A 1n13I-5ikjA:
undetectable
1n13L-5ikjA:
undetectable		 1n13I-5ikjA:
5.88
1n13L-5ikjA:
12.55
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.
5j4a TRNA NUCLEASE CDIA

(Burkholderia
pseudomallei) 		no annotation 4 LEU A 272
LEU A 265
ILE A 257
MET A 245
 None
 0.99A 1n13I-5j4aA:
undetectable
1n13L-5j4aA:
undetectable		 1n13I-5j4aA:
18.01
1n13L-5j4aA:
19.53
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.
5juf TRANSCRIPTIONAL
REGULATOR

(Streptococcus
thermophilus) 		PF01381
(HTH_3) 		4 LEU A 210
ASP A 209
LEU A 163
ILE A 187
 None
 0.97A 1n13I-5jufA:
undetectable
1n13L-5jufA:
undetectable		 1n13I-5jufA:
9.35
1n13L-5jufA:
13.87
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		4 LEU A  89
LEU A 114
ILE A  64
MET A  21
 None
 1.04A 1n13I-5k9tA:
undetectable
1n13L-5k9tA:
undetectable		 1n13I-5k9tA:
7.29
1n13L-5k9tA:
12.33
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 LEU A 645
ASP A 644
ILE A 513
ARG A 516
 None
 1.01A 1n13I-5tusA:
undetectable
1n13L-5tusA:
undetectable		 1n13I-5tusA:
5.56
1n13L-5tusA:
9.47
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.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 4 ASP A 270
LEU A 269
ILE A 276
ARG A 260
 None
 0.89A 1n13I-5veuA:
undetectable
1n13L-5veuA:
undetectable		 1n13I-5veuA:
7.61
1n13L-5veuA:
12.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vxr MAB24 VARIABLE HEAVY
CHAIN,MAB24 VARIABLE
HEAVY CHAIN

(Mus musculus) 		no annotation 4 ASP H  89
LEU H  18
ILE H  67
ARG H  66
 None
 0.90A 1n13I-5vxrH:
undetectable
1n13L-5vxrH:
undetectable		 1n13I-5vxrH:
30.43
1n13L-5vxrH:
20.72
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.
5w21 FIBROBLAST GROWTH
FACTOR 23
KLOTHO

(Homo sapiens) 		no annotation 4 ASP A 756
LEU A 753
ILE A 812
ARG B 198
 None
 0.66A 1n13I-5w21A:
undetectable
1n13L-5w21A:
undetectable		 1n13I-5w21A:
18.75
1n13L-5w21A:
20.54
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.
5wxl REGULATOR OF
RIBOSOME
BIOSYNTHESIS
RIBOSOME BIOGENESIS
PROTEIN RPF2

(Saccharomyces
cerevisiae) 		PF04427
(Brix)
PF04939
(RRS1) 		4 LEU A 230
ASP A 231
ILE B  50
ARG B  46
 None
 1.02A 1n13I-5wxlA:
undetectable
1n13L-5wxlA:
undetectable		 1n13I-5wxlA:
18.12
1n13L-5wxlA:
15.27
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.
5x8j THYMIDYLATE KINASE

(Thermus
thermophilus) 		no annotation 4 ASP A  94
LEU A  97
GLU A  39
ARG A 172
 None
 0.96A 1n13I-5x8jA:
undetectable
1n13L-5x8jA:
undetectable		 1n13I-5x8jA:
19.28
1n13L-5x8jA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xko CYTIDINE/DEOXYCYTIDY
LATE DEAMINASE,
ZINC-BINDING REGION

(Mycolicibacterium
smegmatis) 		PF00383
(dCMP_cyt_deam_1) 		4 LEU A   8
ASP A   7
GLU A 144
ARG A 100
 None
 0.82A 1n13I-5xkoA:
undetectable
1n13L-5xkoA:
undetectable		 1n13I-5xkoA:
13.55
1n13L-5xkoA:
16.88
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.
6bn1 SCAFFOLD PROTEIN
SALVADOR
SERINE/THREONINE-PRO
TEIN KINASE HIPPO

(Drosophila
melanogaster) 		no annotation 4 LEU B 563
ASP B 567
LEU B 570
MET A 650
 None
 0.86A 1n13I-6bn1B:
undetectable
1n13L-6bn1B:
undetectable		 1n13I-6bn1B:
22.08
1n13L-6bn1B:
25.69
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.
6bpz PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,MOUSE
PIEZO1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 4 LEU A2519
ASP A2144
GLU A2522
ARG A2040
 None
 1.07A 1n13I-6bpzA:
undetectable
1n13L-6bpzA:
undetectable		 1n13I-6bpzA:
23.75
1n13L-6bpzA:
18.58
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT SWP1

(Saccharomyces
cerevisiae) 		no annotation 4 ASP C 119
LEU C 123
ILE C 133
MET C  94
 None
 1.03A 1n13I-6c26C:
undetectable
1n13L-6c26C:
undetectable		 1n13I-6c26C:
25.33
1n13L-6c26C:
24.53
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 4 LEU A 143
LEU A 171
ILE A 227
MET A 419
 None
 0.96A 1n13I-6coyA:
undetectable
1n13L-6coyA:
undetectable		 1n13I-6coyA:
17.14
1n13L-6coyA:
16.67
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.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4

(Streptoalloteichus
tenebrarius) 		no annotation 4 LEU B  96
ASP B  92
LEU B  89
ARG B  24
 None
 1.05A 1n13I-6fd2B:
undetectable
1n13L-6fd2B:
undetectable		 1n13I-6fd2B:
18.18
1n13L-6fd2B:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gsw MU CLASS GLUTATHIONE
S-TRANSFERASE OF
ISOENZYME 3-3

(Rattus rattus) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 LEU A 158
LEU A  19
ILE A  75
GLU A 100
 None
 0.93A 1n13I-6gswA:
undetectable
1n13L-6gswA:
undetectable		 1n13I-6gswA:
14.51
1n13L-6gswA:
19.82