SIMILAR PATTERNS OF AMINO ACIDS FOR 3SXJ_B_SAMB258

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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 GLY A 225
GLY A 212
LEU A 237
SER A 109
ALA A 243
 None
 1.25A 3sxjB-1cttA:
undetectable		 3sxjB-1cttA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gm5 RECG

(Thermotoga
maritima) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF17190
(RecG_N)
PF17191
(RecG_wedge) 		5 GLY A 682
GLY A 685
GLU A 553
ALA A 688
TYR A 689
 None
 1.22A 3sxjB-1gm5A:
undetectable		 3sxjB-1gm5A:
14.67
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY A  72
GLY A 505
GLN A 499
LEU A 484
ALA A 488
 None
 1.24A 3sxjB-1o99A:
3.0		 3sxjB-1o99A:
18.52
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.
1oj4 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Escherichia
coli) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 241
GLY A 239
SER A 178
GLU A 212
ALA A 215
 None
CDM  A1284 ( 4.2A)
None
None
None
 1.23A 3sxjB-1oj4A:
undetectable		 3sxjB-1oj4A:
23.69
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.
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		5 GLY K  35
GLY K 212
SER K 198
GLU K  32
ALA K 208
 None
 0.79A 3sxjB-1oxxK:
undetectable		 3sxjB-1oxxK:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 5 GLN A  65
GLY A  64
LEU A  58
SER A  57
ALA A 352
 None
 1.19A 3sxjB-1qi9A:
undetectable		 3sxjB-1qi9A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uaq CYTOSINE DEAMINASE

(Saccharomyces
cerevisiae) 		PF00383
(dCMP_cyt_deam_1) 		5 ARG A  48
GLY A  35
LEU A  88
GLU A  20
ALA A  22
 None
 1.21A 3sxjB-1uaqA:
undetectable		 3sxjB-1uaqA:
19.16
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.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A  10
GLY A  13
SER A  72
GLU A  39
ALA A  19
 None
 1.25A 3sxjB-1uayA:
5.1		 3sxjB-1uayA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1us4 PUTATIVE GLUR0
LIGAND BINDING CORE

(Thermus
thermophilus) 		PF16868
(NMT1_3) 		5 GLN A  78
GLY A 140
GLY A 142
ALA A  62
ASN A  65
 GLU  A1313 (-3.7A)
None
GLU  A1313 (-3.5A)
None
None
 1.15A 3sxjB-1us4A:
undetectable		 3sxjB-1us4A:
23.26
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.
1vqv THIAMINE
MONOPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00586
(AIRS) 		5 GLY A 163
LEU A 168
GLU A 239
ALA A 162
TYR A 254
 None
None
PO4  A1001 (-2.6A)
None
None
 1.20A 3sxjB-1vqvA:
undetectable		 3sxjB-1vqvA:
22.19
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.
1vzy 33 KDA CHAPERONIN

(Bacillus
subtilis) 		PF01430
(HSP33) 		5 ARG A  30
GLN A  29
GLY A  33
SER A  90
GLU A  27
 None
 1.25A 3sxjB-1vzyA:
undetectable		 3sxjB-1vzyA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wl7 ARABINANASE-TS

(Geobacillus
thermodenitrificans) 		PF04616
(Glyco_hydro_43) 		5 GLY A 268
GLY A 262
SER A 217
ALA A 287
ASN A 285
 None
 1.20A 3sxjB-1wl7A:
undetectable		 3sxjB-1wl7A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wmr ISOPULLULANASE

(Aspergillus
niger) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		5 GLY A 268
GLY A 266
LEU A 270
ALA A 247
TYR A 224
 None
 1.26A 3sxjB-1wmrA:
undetectable		 3sxjB-1wmrA:
17.90
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.
1xtp LMAJ004091AAA

(Leishmania
major) 		PF05891
(Methyltransf_PK) 		5 ARG A 106
GLY A 101
GLY A 103
MET A 149
TYR A 170
 SAI  A 401 (-3.9A)
SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 (-4.4A)
SAI  A 401 (-3.8A)
 1.24A 3sxjB-1xtpA:
15.3		 3sxjB-1xtpA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xtp LMAJ004091AAA

(Leishmania
major) 		PF05891
(Methyltransf_PK) 		5 ARG A 106
GLY A 101
GLY A 103
SER A 148
MET A 149
 SAI  A 401 (-3.9A)
SAI  A 401 (-3.4A)
SAI  A 401 (-3.2A)
SAI  A 401 (-4.0A)
SAI  A 401 (-4.4A)
 0.95A 3sxjB-1xtpA:
15.3		 3sxjB-1xtpA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ysj PROTEIN YXEP

(Bacillus
subtilis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 345
LEU A 163
MET A 341
GLU A 358
ALA A 360
 None
 1.02A 3sxjB-1ysjA:
undetectable		 3sxjB-1ysjA:
22.72
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.
1yzf LIPASE/ACYLHYDROLASE

(Enterococcus
faecalis) 		PF13472
(Lipase_GDSL_2) 		5 ARG A  92
GLY A 139
GLU A 137
ALA A 140
ASN A 143
 None
 1.23A 3sxjB-1yzfA:
2.9		 3sxjB-1yzfA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ch6 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Homo sapiens) 		PF01869
(BcrAD_BadFG) 		5 GLY A 239
GLY A 282
LEU A 278
SER A 275
ALA A 238
 None
None
None
ADP  A 470 (-2.8A)
None
 1.17A 3sxjB-2ch6A:
undetectable		 3sxjB-2ch6A:
20.75
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.
2d1f THREONINE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 GLY A  72
GLU A 171
ALA A 203
TYR A 204
ASN A 200
 None
None
None
None
PLP  A 500 (-4.9A)
 1.25A 3sxjB-2d1fA:
undetectable		 3sxjB-2d1fA:
19.54
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 689
LEU A 706
GLU A 710
ALA A 712
ASN A 660
 None
 1.26A 3sxjB-2dw4A:
2.6		 3sxjB-2dw4A:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		5 GLN A 209
GLY A 192
GLY A 215
ALA A 196
TYR A 200
 None
 0.98A 3sxjB-2fqxA:
undetectable		 3sxjB-2fqxA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 GLN A 111
GLY A 397
GLY A 395
SER A 327
ALA A 399
 None
 1.00A 3sxjB-2g28A:
undetectable		 3sxjB-2g28A:
14.07
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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		5 ARG A 352
GLY A 313
GLY A 356
SER A 310
GLU A 297
 None
 1.12A 3sxjB-2ggqA:
undetectable		 3sxjB-2ggqA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 173
GLY A 349
SER A 110
GLU A 355
ALA A 174
 None
 1.21A 3sxjB-2gp6A:
undetectable		 3sxjB-2gp6A:
20.14
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY A  71
GLY A 504
GLN A 498
LEU A 483
ALA A 487
 None
 1.23A 3sxjB-2ifyA:
3.4		 3sxjB-2ifyA:
20.17
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.
2ior CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF02518
(HATPase_c) 		5 ARG A 142
GLY A  82
GLY A  84
SER A  40
GLU A  58
 None
None
ADP  A1000 ( 4.4A)
None
None
 1.16A 3sxjB-2iorA:
undetectable		 3sxjB-2iorA:
24.65
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.
2l29 INSULIN-LIKE GROWTH
FACTOR 2 RECEPTOR
VARIANT

(Homo sapiens) 		PF00878
(CIMR) 		5 GLY A1534
GLY A1537
LEU A1532
SER A1531
GLU A1555
 None
 1.27A 3sxjB-2l29A:
undetectable		 3sxjB-2l29A:
23.36
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ARG A  64
SER A 110
GLU A  18
ALA A  73
ASN A  76
 None
 1.29A 3sxjB-2pa6A:
undetectable		 3sxjB-2pa6A:
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.
2pl3 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX10

(Homo sapiens) 		PF00270
(DEAD) 		5 ARG A 162
GLY A  83
GLY A 165
ALA A  87
TYR A  89
 None
None
None
None
ADP  A 300 (-4.6A)
 1.25A 3sxjB-2pl3A:
2.2		 3sxjB-2pl3A:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v0j BIFUNCTIONAL PROTEIN
GLMU

(Haemophilus
influenzae) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 GLY A  16
GLY A  14
LEU A  23
SER A  21
MET A  19
 SO4  A1462 (-3.4A)
H2U  A1453 ( 3.4A)
None
None
None
 1.26A 3sxjB-2v0jA:
undetectable		 3sxjB-2v0jA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		5 GLY A 406
GLY A 438
LEU A 432
GLU A 404
ALA A 402
 None
 1.23A 3sxjB-2v5iA:
undetectable		 3sxjB-2v5iA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpn PERIPLASMIC
SUBSTRATE BINDING
PROTEIN

(Halomonas
elongata) 		PF03480
(DctP) 		5 GLY A  68
GLY A  65
GLN A  62
LEU A 150
ALA A  74
 None
 1.19A 3sxjB-2vpnA:
undetectable		 3sxjB-2vpnA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 332
SER A  89
MET A  86
GLU A 524
ALA A 521
 None
 1.08A 3sxjB-2x40A:
undetectable		 3sxjB-2x40A:
15.16
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 5 ARG A 119
GLY A  67
GLY A  65
LEU A  72
ALA A 650
 FAD  A 801 (-3.4A)
FAD  A 801 (-3.4A)
FAD  A 801 (-3.6A)
None
None
 1.25A 3sxjB-2yr5A:
undetectable		 3sxjB-2yr5A:
15.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 GLN A 379
GLY A 365
LEU A 148
GLU A  15
ALA A  16
 None
FAD  A 622 (-3.3A)
None
None
None
 1.20A 3sxjB-3cp8A:
undetectable		 3sxjB-3cp8A:
17.47
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.
3egc PUTATIVE RIBOSE
OPERON REPRESSOR

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 ARG A 325
GLY A 162
LEU A 311
GLU A 155
ALA A 151
 None
 1.28A 3sxjB-3egcA:
undetectable		 3sxjB-3egcA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3err FUSION PROTEIN OF
MICROTUBULE BINDING
DOMAIN FROM MOUSE
CYTOPLASMIC DYNEIN
AND SERYL-TRNA
SYNTHETASE FROM
THERMUS THERMOPHILUS

(Thermus
thermophilus;
Mus musculus) 		PF00587
(tRNA-synt_2b)
PF12777
(MT) 		5 GLY A 321
GLY A 324
GLU A  20
ALA A 319
ASN A 117
 None
 1.18A 3sxjB-3errA:
undetectable		 3sxjB-3errA:
17.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		8 GLN A  26
GLY A  54
GLY A  56
GLN A  60
LEU A  77
SER A 104
MET A 105
GLU A 121
 None
 0.79A 3sxjB-3f4kA:
38.9		 3sxjB-3f4kA:
97.72
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.
3fxb TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		5 GLY A  68
GLY A  65
GLN A  62
LEU A 150
ALA A  74
 None
 1.23A 3sxjB-3fxbA:
undetectable		 3sxjB-3fxbA:
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.
3gd5 ORNITHINE
CARBAMOYLTRANSFERASE

(Gloeobacter
violaceus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ARG A 208
GLY A 181
GLY A 210
GLU A  24
ALA A 178
 None
 1.22A 3sxjB-3gd5A:
3.2		 3sxjB-3gd5A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gp9 NUCLEOSIDE
DIPHOSPHATE KINASE

(Acanthamoeba
polyphaga
mimivirus) 		PF00334
(NDK) 		5 GLN A  89
GLY A 100
GLY A  90
LEU A  93
ALA A 103
 MG  A 140 (-2.9A)
None
None
None
None
 1.27A 3sxjB-3gp9A:
undetectable		 3sxjB-3gp9A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrd NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT

(Eubacterium
barkeri) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		5 ARG D  24
GLY D  45
GLU D  40
ALA D  49
ASN D 134
 None
FES  D 908 ( 3.2A)
None
None
None
 1.28A 3sxjB-3hrdD:
undetectable		 3sxjB-3hrdD:
20.15
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.
3izq ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF08938
(HBS1_N) 		5 GLN 1 268
GLY 1 304
LEU 1 299
MET 1 297
ALA 1 272
 None
 1.08A 3sxjB-3izq1:
undetectable		 3sxjB-3izq1:
17.97
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.
3j0h PHIKZ029

(Pseudomonas
virus phiKZ) 		no annotation 5 GLY A 378
SER A 195
GLU A 159
ALA A 375
ASN A 204
 None
 1.16A 3sxjB-3j0hA:
undetectable		 3sxjB-3j0hA:
19.37
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 ARG A 581
GLY A 579
GLN A 594
LEU A 607
GLU A 597
 None
 1.11A 3sxjB-3k1dA:
undetectable		 3sxjB-3k1dA:
15.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkz UNCHARACTERIZED
PROTEIN Q5LES9

(Bacteroides
fragilis) 		PF13649
(Methyltransf_25) 		11 ARG A  25
GLN A  26
GLY A  54
GLY A  56
GLN A  60
SER A 104
MET A 105
GLU A 121
ALA A 123
TYR A 125
ASN A 126
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.1A)
SAM  A 301 (-4.5A)
None
SAM  A 301 ( 3.7A)
None
SAM  A 301 (-3.0A)
 0.29A 3sxjB-3kkzA:
38.4		 3sxjB-3kkzA:
61.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		5 ARG A  32
SER A  46
GLU A  73
ALA A  76
ASN A  80
 None
 1.08A 3sxjB-3l6aA:
undetectable		 3sxjB-3l6aA:
20.99
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.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY

(Clostridium
acetobutylicum) 		PF13419
(HAD_2) 		5 GLY A 182
GLY A 164
GLU A 192
ALA A 198
ASN A 199
 None
 0.94A 3sxjB-3mc1A:
undetectable		 3sxjB-3mc1A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nwn KINESIN-LIKE PROTEIN
KIF9

(Homo sapiens) 		PF00225
(Kinesin) 		5 GLY A  93
GLY A 248
SER A 329
ALA A  97
TYR A 318
 None
None
None
ADP  A 401 (-4.6A)
None
 1.01A 3sxjB-3nwnA:
undetectable		 3sxjB-3nwnA:
21.98
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 ARG A 384
GLN A 383
GLY A 295
LEU A 334
ALA A 258
 None
 1.19A 3sxjB-3oepA:
undetectable		 3sxjB-3oepA:
17.13
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.
3p30 1281 FAB LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLN L   6
GLY L  99
SER L  95
ALA L  90
ASN L  27
 None
 1.26A 3sxjB-3p30L:
undetectable		 3sxjB-3p30L:
18.91
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.
3rhd LACTALDEHYDE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00171
(Aldedh) 		5 GLY A  85
GLY A 315
GLN A 273
LEU A 308
ASN A  18
 None
 1.21A 3sxjB-3rhdA:
4.3		 3sxjB-3rhdA:
22.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		10 ARG A  25
GLY A  54
GLY A  56
GLN A  60
SER A 104
MET A 105
GLU A 121
ALA A 123
TYR A 125
ASN A 126
 SAM  A 300 (-4.0A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.4A)
SAM  A 300 (-3.4A)
SAM  A 300 (-2.8A)
SAM  A 300 (-4.1A)
None
SAM  A 300 (-3.6A)
None
SAM  A 300 (-3.1A)
 0.48A 3sxjB-3t7sA:
38.8		 3sxjB-3t7sA:
59.33
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.
3tdg PUTATIVE
UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 5 GLY A 184
GLY A 187
SER A 155
GLU A 242
ALA A 194
 None
 1.18A 3sxjB-3tdgA:
undetectable		 3sxjB-3tdgA:
20.40
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.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ARG A  60
SER A 106
GLU A  13
ALA A  69
ASN A  72
 None
 1.26A 3sxjB-3uj2A:
undetectable		 3sxjB-3uj2A:
22.91
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.
3wh7 BETA-GLUCOSIDASE

(metagenomes) 		PF00232
(Glyco_hydro_1) 		5 GLN A 282
GLY A 200
GLY A 202
ALA A 140
ASN A 196
 None
 1.26A 3sxjB-3wh7A:
undetectable		 3sxjB-3wh7A:
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.
3wh7 BETA-GLUCOSIDASE

(metagenomes) 		PF00232
(Glyco_hydro_1) 		5 GLN A 282
GLY A 200
LEU A 198
ALA A 140
ASN A 196
 None
 1.25A 3sxjB-3wh7A:
undetectable		 3sxjB-3wh7A:
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.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 ARG B 482
LEU B 488
SER B 394
GLU B 471
ALA B 400
 None
GOL  B1643 (-4.1A)
AIX  B 800 (-0.2A)
None
None
 1.00A 3sxjB-3zg8B:
undetectable		 3sxjB-3zg8B:
18.68
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.
3zpj TON_1535

(Thermococcus
onnurineus) 		no annotation 5 GLY A 169
LEU A 164
SER A 118
GLU A 176
ALA A 125
 None
 1.27A 3sxjB-3zpjA:
undetectable		 3sxjB-3zpjA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4au2 SERPIN PEPTIDASE
INHIBITOR, CLADE H
(HEAT SHOCK PROTEIN
47), MEMBER 1,
(COLLAGEN BINDING
PROTEIN 1)

(Canis lupus) 		PF00079
(Serpin) 		5 GLY A  85
LEU A  80
SER A  77
GLU A 328
ALA A 329
 None
 1.12A 3sxjB-4au2A:
undetectable		 3sxjB-4au2A:
20.57
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.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 GLN A 400
GLY A 401
SER A 392
GLU A 407
ALA A 488
 None
 1.09A 3sxjB-4bc7A:
undetectable		 3sxjB-4bc7A:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bgb PUTATIVE SUGAR
KINASE MK0840

(Methanopyrus
kandleri) 		PF03702
(AnmK) 		5 GLY A 110
GLN A  44
LEU A 133
GLU A 326
TYR A 152
 None
GOL  A1355 (-4.0A)
None
CA  A1359 ( 2.3A)
None
 1.06A 3sxjB-4bgbA:
undetectable		 3sxjB-4bgbA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9

(Homo sapiens) 		PF11979
(DUF3480) 		5 ARG A1095
GLY A1031
GLN A1060
SER A1021
GLU A1063
 None
 1.00A 3sxjB-4bkwA:
undetectable		 3sxjB-4bkwA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		5 GLY A 234
GLY A 232
LEU A 229
ALA A 235
TYR A 206
 LLP  A  77 ( 3.3A)
LLP  A  77 (-3.4A)
None
LLP  A  77 ( 3.3A)
LLP  A  77 ( 4.9A)
 1.24A 3sxjB-4d9iA:
2.4		 3sxjB-4d9iA:
20.19
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.
4dt4 FKBP-TYPE 16 KDA
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 GLN A 132
GLY A  72
GLY A 131
GLU A  66
ALA A  70
 None
 1.11A 3sxjB-4dt4A:
undetectable		 3sxjB-4dt4A:
26.89
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.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ARG A  62
GLY A  64
GLU A 144
ALA A 118
ASN A 303
 None
 1.27A 3sxjB-4f7kA:
undetectable		 3sxjB-4f7kA:
19.08
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 ARG A 466
GLY A 470
LEU A 447
MET A 524
ALA A 457
 None
 1.28A 3sxjB-4gfhA:
undetectable		 3sxjB-4gfhA:
11.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 190
GLY A 344
LEU A 160
SER A 104
ALA A 348
 None
 1.04A 3sxjB-4jb6A:
undetectable		 3sxjB-4jb6A:
20.53
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		5 ARG A  85
GLY A 100
GLY A  89
ALA A 211
ASN A 207
 None
 0.80A 3sxjB-4kvlA:
undetectable		 3sxjB-4kvlA:
19.18
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 ARG A 178
GLN A 196
GLY A 171
GLY A 235
GLU A 151
 None
None
PQQ  A 602 (-3.1A)
None
None
 1.07A 3sxjB-4maeA:
undetectable		 3sxjB-4maeA:
18.79
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 ARG A 178
GLN A 196
GLY A 174
GLY A 234
GLU A 151
 None
 1.01A 3sxjB-4maeA:
undetectable		 3sxjB-4maeA:
18.79
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 GLN A 196
GLY A 171
GLY A 235
GLU A 151
TYR A 425
 None
PQQ  A 602 (-3.1A)
None
None
None
 1.03A 3sxjB-4maeA:
undetectable		 3sxjB-4maeA:
18.79
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.
4n0q LEU/ILE/VAL-BINDING
PROTEIN HOMOLOG 3

(Brucella
melitensis) 		PF13458
(Peripla_BP_6) 		5 GLN A 146
GLY A 222
GLY A 247
LEU A 245
ALA A 177
 None
 1.11A 3sxjB-4n0qA:
2.2		 3sxjB-4n0qA:
20.17
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.
4nk6 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 GLY A 411
GLY A 388
LEU A 432
ALA A 427
ASN A 470
 None
 1.28A 3sxjB-4nk6A:
undetectable		 3sxjB-4nk6A:
19.07
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.
4no0 LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY B
MEMBER 1

(Homo sapiens) 		PF13895
(Ig_2) 		5 GLN D  59
GLY D  58
LEU D   8
SER D  88
GLU D  31
 None
 1.28A 3sxjB-4no0D:
undetectable		 3sxjB-4no0D:
20.38
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.
4o6v OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Brucella suis) 		PF13561
(adh_short_C2) 		5 ARG A  22
GLY A  40
GLY A  13
LEU A  34
GLU A  46
 None
 1.26A 3sxjB-4o6vA:
6.1		 3sxjB-4o6vA:
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.
4o6v OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Brucella suis) 		PF13561
(adh_short_C2) 		5 GLY A  40
GLY A  13
LEU A  34
GLU A  46
ALA A  44
 None
 1.18A 3sxjB-4o6vA:
6.1		 3sxjB-4o6vA:
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.
4ozy POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 GLY A 411
GLY A 388
LEU A 432
ALA A 427
ASN A 470
 None
 1.29A 3sxjB-4ozyA:
undetectable		 3sxjB-4ozyA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY A  72
GLY A 499
GLN A 493
LEU A 478
ALA A 482
 None
 1.18A 3sxjB-4qaxA:
3.1		 3sxjB-4qaxA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qhx UNCHARACTERIZED
PROTEIN

(Bacteroides
caccae) 		PF11958
(DUF3472)
PF16871
(DUF5077) 		5 ARG A 157
GLY A 158
LEU A 369
SER A 392
GLU A 322
 PEG  A 520 ( 4.4A)
None
None
SO4  A 503 ( 4.4A)
SO4  A 508 (-3.6A)
 1.22A 3sxjB-4qhxA:
undetectable		 3sxjB-4qhxA:
20.76
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.
4qpp PROTEIN ARGININE
N-METHYLTRANSFERASE
6

(Homo sapiens) 		PF13649
(Methyltransf_25) 		5 GLY A 270
GLY A 272
LEU A 356
GLU A 266
ALA A 269
 36S  A1001 ( 4.7A)
None
None
None
None
 1.17A 3sxjB-4qppA:
9.2		 3sxjB-4qppA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uhm OMEGA AMINO
ACID-PYRUVATE
AMINOTRANSFERASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 GLN A 243
GLY A 201
GLY A 240
ALA A 205
ASN A 206
 None
None
EOH  A1452 (-4.0A)
None
None
 1.14A 3sxjB-4uhmA:
undetectable		 3sxjB-4uhmA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wh3 N-ACETYLHEXOSAMINE
1-KINASE

(Bifidobacterium
longum) 		PF01636
(APH) 		5 ARG A 246
GLN A 333
SER A 260
GLU A 254
ALA A 252
 GOL  A 406 (-4.0A)
None
None
None
None
 1.24A 3sxjB-4wh3A:
undetectable		 3sxjB-4wh3A:
20.92
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ARG A 161
GLY A 267
GLY A 159
GLU A 212
ASN A 265
 None
 1.25A 3sxjB-4xmvA:
undetectable		 3sxjB-4xmvA:
14.30
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A 183
GLN A 207
LEU A 129
GLU A 194
ALA A 193
 None
 1.17A 3sxjB-4xr9A:
4.2		 3sxjB-4xr9A:
17.51
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.
5ab4 SCP2-THIOLASE LIKE
PROTEIN

(Trypanosoma
brucei) 		no annotation 5 GLY A 392
LEU A 296
GLU A 358
ALA A 361
ASN A 364
 None
 1.13A 3sxjB-5ab4A:
undetectable		 3sxjB-5ab4A:
20.19
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.
5aff SYMPORTIN 1

(Chaetomium
thermophilum) 		no annotation 5 GLN A 553
GLY A 556
GLY A 554
SER A 533
GLU A 600
 None
 1.24A 3sxjB-5affA:
undetectable		 3sxjB-5affA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2k TRANSFORMING PROTEIN
RHOA,RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00071
(Ras)
PF00620
(RhoGAP) 		5 ARG A 247
GLN A  63
GLY A  12
GLY A  62
ASN A  94
 GDP  A 503 ( 3.5A)
AF3  A 502 (-3.2A)
None
AF3  A 502 (-3.4A)
None
 1.22A 3sxjB-5c2kA:
undetectable		 3sxjB-5c2kA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		5 GLN A 372
GLY A 367
GLY A 369
GLN A  48
ALA A 324
 None
 1.20A 3sxjB-5cd2A:
undetectable		 3sxjB-5cd2A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dn5 PEPTIDOGLYCAN
HYDROLASE FLGJ

(Salmonella
enterica) 		PF01832
(Glucosaminidase) 		5 ARG A 190
GLY A 188
LEU A 156
SER A 160
ALA A 181
 None
 1.23A 3sxjB-5dn5A:
undetectable		 3sxjB-5dn5A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 GLY A 539
GLY A 366
GLN A 352
SER A 541
ALA A 349
 None
 1.18A 3sxjB-5ho9A:
undetectable		 3sxjB-5ho9A:
17.38
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.
5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA

(Homo sapiens;
synthetic
construct) 		no annotation 5 ARG B 942
GLN B  63
GLY B  12
GLY B  62
ASN B  94
 GDP  B1201 ( 3.4A)
ALF  B1203 (-3.0A)
None
ALF  B1203 (-3.3A)
None
 1.25A 3sxjB-5jcpB:
undetectable		 3sxjB-5jcpB:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY A  96
GLY A 532
GLN A 526
LEU A 511
ALA A 515
 None
 1.21A 3sxjB-5kgnA:
3.7		 3sxjB-5kgnA:
18.71
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.
5l56 PLEXIN-A1

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		5 GLY A1222
GLY A1060
GLU A1225
ALA A1221
TYR A1186
 None
 1.25A 3sxjB-5l56A:
undetectable		 3sxjB-5l56A:
12.46
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		5 ARG A 476
GLY A 480
GLY A 582
SER A 418
ALA A 435
 None
 1.22A 3sxjB-5l9wA:
undetectable		 3sxjB-5l9wA:
15.79
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.
5nnp N-TERMINAL
ACETYLTRANSFERASE-LI
KE PROTEIN

(Chaetomium
thermophilum) 		PF12569
(NARP1)
PF13432
(TPR_16) 		5 GLN A 132
GLN A 121
LEU A 138
ALA A 154
TYR A 155
 None
 1.22A 3sxjB-5nnpA:
undetectable		 3sxjB-5nnpA:
16.14
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.
5o8x SOLUBLE LYTIC
TRANSGLYCOSYLASE B

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 248
SER A 240
MET A 239
GLU A 228
ALA A 230
 None
 1.25A 3sxjB-5o8xA:
undetectable		 3sxjB-5o8xA:
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 ARG A 560
GLY A 601
GLY A 562
SER A 598
GLU A 298
 None
 1.12A 3sxjB-5ta1A:
undetectable		 3sxjB-5ta1A:
18.46
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.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 GLY A 193
GLN A 164
SER A 217
MET A 216
TYR A 121
 None
None
None
None
EPE  A 600 (-4.2A)
 0.97A 3sxjB-5w1uA:
undetectable		 3sxjB-5w1uA:
18.56
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.
5x62 CARNOSINE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF07942
(N2227) 		5 ARG A 111
GLN A 108
GLY A 146
GLY A 148
SER A 234
 SAH  A 501 (-4.0A)
SAH  A 501 (-3.4A)
SAH  A 501 (-3.2A)
SAH  A 501 ( 3.7A)
SAH  A 501 (-3.6A)
 1.28A 3sxjB-5x62A:
13.3		 3sxjB-5x62A:
19.85