SIMILAR PATTERNS OF AMINO ACIDS FOR 6FI4_B_DVAB8_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f0k UDP-N-ACETYLGLUCOSAM
INE-N-ACETYLMURAMYL-
(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Escherichia
coli) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		4 SER A 268
VAL A 267
ASN A 292
PRO A 150
 None
 1.42A 6fi4A-1f0kA:
0.0
6fi4B-1f0kA:
undetectable		 6fi4A-1f0kA:
22.19
6fi4B-1f0kA:
4.95
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.
1hrd GLUTAMATE
DEHYDROGENASE

([Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 SER A 213
VAL A 372
ASN A 373
PRO A 319
 None
 1.26A 6fi4A-1hrdA:
undetectable
6fi4B-1hrdA:
undetectable		 6fi4A-1hrdA:
19.65
6fi4B-1hrdA:
29.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ib1 14-3-3 ZETA ISOFORM
SEROTONIN
N-ACETYLTRANSFERASE

(Homo sapiens;
Ovis aries) 		PF00244
(14-3-3)
PF00583
(Acetyltransf_1) 		4 SER A  45
VAL A  46
ASN A  50
PRO E  33
 None
None
None
TPO  E  31 ( 4.0A)
 0.46A 6fi4A-1ib1A:
30.8
6fi4B-1ib1A:
undetectable		 6fi4A-1ib1A:
72.65
6fi4B-1ib1A:
3.03
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.
1nio B-LUFFIN

(Luffa
aegyptiaca) 		PF00161
(RIP) 		4 SER A 230
VAL A 232
LYS A 231
ASN A 236
 None
 1.46A 6fi4A-1nioA:
undetectable
6fi4B-1nioA:
undetectable		 6fi4A-1nioA:
20.83
6fi4B-1nioA:
2.67
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.
1pff METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		4 SER A 310
VAL A 376
ASN A 270
PRO A 342
 None
 1.34A 6fi4A-1pffA:
0.0
6fi4B-1pffA:
undetectable		 6fi4A-1pffA:
23.10
6fi4B-1pffA:
14.81
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.
1sde D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptomyces
sp. R61) 		PF00144
(Beta-lactamase) 		4 SER A 107
VAL A 105
ASN A 163
PRO A 153
 None
 1.44A 6fi4A-1sdeA:
undetectable
6fi4B-1sdeA:
undetectable		 6fi4A-1sdeA:
20.97
6fi4B-1sdeA:
21.43
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.
1yfm FUMARASE

(Saccharomyces
cerevisiae) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 SER A  87
VAL A  84
ASN A  85
PRO A 265
 None
 1.28A 6fi4A-1yfmA:
1.3
6fi4B-1yfmA:
undetectable		 6fi4A-1yfmA:
20.86
6fi4B-1yfmA:
1.43
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.
2a4d UBIQUITIN-CONJUGATIN
G ENZYME E2 VARIANT
1

(Homo sapiens) 		PF00179
(UQ_con) 		4 VAL A  83
LYS A  84
ASN A  88
PRO A 147
 None
 1.31A 6fi4A-2a4dA:
undetectable
6fi4B-2a4dA:
undetectable		 6fi4A-2a4dA:
21.86
6fi4B-2a4dA:
17.86
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.
2gmu PUTATIVE
PYRIDOXAMINE
5-PHOSPHATE-DEPENDEN
T DEHYDRASE, WBDK

(Escherichia
coli) 		PF01041
(DegT_DnrJ_EryC1) 		4 SER A 271
VAL A 272
LYS A 275
ASN A 276
 None
 0.96A 6fi4A-2gmuA:
undetectable
6fi4B-2gmuA:
undetectable		 6fi4A-2gmuA:
19.00
6fi4B-2gmuA:
60.00
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.
2iny HEXON PROTEIN

(Fowl
aviadenovirus A) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 SER A 494
VAL A 363
ASN A 365
PRO A 771
 None
 1.09A 6fi4A-2inyA:
undetectable
6fi4B-2inyA:
undetectable		 6fi4A-2inyA:
14.35
6fi4B-2inyA:
0.60
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.
2r73 TRICHOSURIN

(Trichosurus
vulpecula) 		PF00061
(Lipocalin) 		4 SER A  35
VAL A 125
ASN A 127
PRO A  46
 None
 1.38A 6fi4A-2r73A:
undetectable
6fi4B-2r73A:
undetectable		 6fi4A-2r73A:
22.55
6fi4B-2r73A:
9.43
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 SER A 282
VAL A 281
ASN A 300
PRO A 330
 None
 1.10A 6fi4A-2vsqA:
undetectable
6fi4B-2vsqA:
undetectable		 6fi4A-2vsqA:
12.01
6fi4B-2vsqA:
1.61
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.
2y7l AGGLUTININ-LIKE ALS9
PROTEIN

(Candida
albicans) 		PF11766
(Candida_ALS_N) 		4 SER A 162
VAL A 161
ASN A 224
PRO A 186
 None
 1.49A 6fi4A-2y7lA:
undetectable
6fi4B-2y7lA:
undetectable		 6fi4A-2y7lA:
19.38
6fi4B-2y7lA:
9.26
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.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		4 SER A 449
VAL A 448
ASN A 445
PRO A 253
 None
 1.40A 6fi4A-2ylzA:
undetectable
6fi4B-2ylzA:
undetectable		 6fi4A-2ylzA:
19.08
6fi4B-2ylzA:
14.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3axy 14-3-3-LIKE PROTEIN
GF14-C

(Oryza sativa) 		PF00244
(14-3-3) 		4 SER C  47
VAL C  48
LYS C  51
ASN C  52
 None
 1.01A 6fi4A-3axyC:
30.6
6fi4B-3axyC:
undetectable		 6fi4A-3axyC:
61.34
6fi4B-3axyC:
7.14
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		4 SER A 293
VAL A  44
ASN A  72
PRO A  41
 None
 1.50A 6fi4A-3d3aA:
undetectable
6fi4B-3d3aA:
undetectable		 6fi4A-3d3aA:
17.04
6fi4B-3d3aA:
0.82
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 SER A 261
VAL A 262
LYS A 265
ASN A 266
 None
 0.55A 6fi4A-3e0lA:
2.3
6fi4B-3e0lA:
undetectable		 6fi4A-3e0lA:
20.66
6fi4B-3e0lA:
0.88
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.
3eeq PUTATIVE COBALAMIN
BIOSYNTHESIS PROTEIN
G HOMOLOG

(Sulfolobus
solfataricus) 		PF01890
(CbiG_C)
PF11760
(CbiG_N) 		4 VAL A 157
LYS A 158
ASN A 160
PRO A 153
 None
 1.42A 6fi4A-3eeqA:
undetectable
6fi4B-3eeqA:
undetectable		 6fi4A-3eeqA:
23.24
6fi4B-3eeqA:
10.53
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.
3ehm SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		4 VAL A 236
LYS A 200
ASN A 203
PRO A 231
 None
 1.42A 6fi4A-3ehmA:
5.3
6fi4B-3ehmA:
undetectable		 6fi4A-3ehmA:
20.72
6fi4B-3ehmA:
1.86
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.
3fgq NEUROSERPIN

(Homo sapiens) 		PF00079
(Serpin) 		4 SER A 340
VAL A 184
ASN A 182
PRO A  50
 None
 1.30A 6fi4A-3fgqA:
undetectable
6fi4B-3fgqA:
undetectable		 6fi4A-3fgqA:
20.57
6fi4B-3fgqA:
4.04
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.
3gr5 ESCC

(Escherichia
coli) 		no annotation 4 SER A 130
VAL A 131
LYS A 133
ASN A 137
 None
 1.41A 6fi4A-3gr5A:
undetectable
6fi4B-3gr5A:
undetectable		 6fi4A-3gr5A:
20.34
6fi4B-3gr5A:
10.00
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.
3jru PROBABLE CYTOSOL
AMINOPEPTIDASE

(Xanthomonas
oryzae) 		no annotation 4 SER B 232
VAL B 233
ASN B 317
PRO B 326
 None
 1.42A 6fi4A-3jruB:
undetectable
6fi4B-3jruB:
undetectable		 6fi4A-3jruB:
18.16
6fi4B-3jruB:
1.07
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.
3mcr NADH DEHYDROGENASE,
SUBUNIT C

(Thermobifida
fusca) 		PF00329
(Complex1_30kDa) 		4 SER A 184
VAL A 183
ASN A 189
PRO A 180
 None
 1.25A 6fi4A-3mcrA:
undetectable
6fi4B-3mcrA:
undetectable		 6fi4A-3mcrA:
21.40
6fi4B-3mcrA:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tbi DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Escherichia
coli) 		PF00562
(RNA_pol_Rpb2_6) 		4 SER B 916
VAL B 887
LYS B 886
PRO B 847
 None
 1.36A 6fi4A-3tbiB:
4.2
6fi4B-3tbiB:
undetectable		 6fi4A-3tbiB:
21.79
6fi4B-3tbiB:
5.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ubw 14-3-3 PROTEIN
EPSILON

(Homo sapiens) 		PF00244
(14-3-3) 		4 SER A  46
VAL A  47
LYS A  50
ASN A  51
 None
None
6SP  A 240 ( 4.8A)
None
 1.18A 6fi4A-3ubwA:
32.4
6fi4B-3ubwA:
undetectable		 6fi4A-3ubwA:
62.87
6fi4B-3ubwA:
1.94
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.
3umb DEHALOGENASE-LIKE
HYDROLASE

(Ralstonia
solanacearum) 		PF00702
(Hydrolase) 		4 SER A 147
VAL A 148
ASN A 123
PRO A  63
 None
 1.41A 6fi4A-3umbA:
undetectable
6fi4B-3umbA:
undetectable		 6fi4A-3umbA:
24.05
6fi4B-3umbA:
6.41
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.
4ads PYRIDOXINE
BIOSYNTHETIC ENZYME
PDX1 HOMOLOGUE,
PUTATIVE

(Plasmodium
berghei) 		PF01680
(SOR_SNZ) 		4 SER A 271
VAL A 270
ASN A 269
PRO A 264
 None
 1.26A 6fi4A-4adsA:
undetectable
6fi4B-4adsA:
undetectable		 6fi4A-4adsA:
23.41
6fi4B-4adsA:
3.14
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.
4aip FE-REGULATED PROTEIN
B

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 VAL A 687
LYS A 714
ASN A 710
PRO A 718
 None
 1.45A 6fi4A-4aipA:
undetectable
6fi4B-4aipA:
undetectable		 6fi4A-4aipA:
15.75
6fi4B-4aipA:
0.78
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.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 SER A 280
VAL A 279
ASN A  80
PRO A 276
 None
 1.46A 6fi4A-4beqA:
undetectable
6fi4B-4beqA:
undetectable		 6fi4A-4beqA:
20.79
6fi4B-4beqA:
4.07
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.
4bsn EXPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 SER A 264
VAL A 263
ASN A 262
PRO A 258
 None
 1.15A 6fi4A-4bsnA:
4.5
6fi4B-4bsnA:
undetectable		 6fi4A-4bsnA:
12.62
6fi4B-4bsnA:
0.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dx0 14-3-3-LIKE PROTEIN
E

(Nicotiana
tabacum) 		PF00244
(14-3-3) 		4 SER A  50
VAL A  51
LYS A  54
ASN A  55
 0MT  A 301 ( 3.8A)
0MT  A 301 (-4.1A)
0MT  A 301 (-4.4A)
0MT  A 301 ( 4.9A)
 0.42A 6fi4A-4dx0A:
28.7
6fi4B-4dx0A:
undetectable		 6fi4A-4dx0A:
61.83
6fi4B-4dx0A:
3.33
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.
4h7l UNCHARACTERIZED
PROTEIN

(Planctopirus
limnophila) 		no annotation 4 SER A  45
VAL A 113
ASN A 111
PRO A 119
 None
 1.39A 6fi4A-4h7lA:
undetectable
6fi4B-4h7lA:
undetectable		 6fi4A-4h7lA:
22.08
6fi4B-4h7lA:
3.42
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.
4ieg RNA-DEPENDENT RNA
POLYMERASE P2

(Pseudomonas
phage phi12) 		no annotation 4 SER A 351
VAL A 350
LYS A 499
PRO A 502
 None
 1.18A 6fi4A-4iegA:
undetectable
6fi4B-4iegA:
undetectable		 6fi4A-4iegA:
15.49
6fi4B-4iegA:
0.76
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.
4igd MANNAN-BINDING
LECTIN SERINE
PROTEASE 1

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		4 SER A 328
VAL A 327
LYS A 311
PRO A 314
 None
 0.86A 6fi4A-4igdA:
undetectable
6fi4B-4igdA:
undetectable		 6fi4A-4igdA:
19.90
6fi4B-4igdA:
4.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jjh POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 4

(Homo sapiens) 		PF07686
(V-set) 		4 SER A 111
VAL A 112
LYS A  49
PRO A 102
 None
 1.46A 6fi4A-4jjhA:
undetectable
6fi4B-4jjhA:
undetectable		 6fi4A-4jjhA:
20.33
6fi4B-4jjhA:
60.00
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.
4js1 BETA-GALACTOSIDE
ALPHA-2,6-SIALYLTRAN
SFERASE 1

(Homo sapiens) 		PF00777
(Glyco_transf_29) 		4 SER A 260
VAL A 261
ASN A 272
PRO A 267
 None
 1.33A 6fi4A-4js1A:
undetectable
6fi4B-4js1A:
undetectable		 6fi4A-4js1A:
21.92
6fi4B-4js1A:
2.00
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.
4kkd MANNAN-BINDING
LECTIN SERINE
PROTEASE 1

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		4 SER A 328
VAL A 327
LYS A 311
PRO A 314
 None
 0.83A 6fi4A-4kkdA:
undetectable
6fi4B-4kkdA:
undetectable		 6fi4A-4kkdA:
19.72
6fi4B-4kkdA:
2.76
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.
4o62 ZINC FINGER CW-TYPE
PWWP DOMAIN PROTEIN
2

(Homo sapiens) 		PF07496
(zf-CW) 		4 SER A  46
VAL A  26
LYS A  28
ASN A  27
 None
 1.38A 6fi4A-4o62A:
undetectable
6fi4B-4o62A:
undetectable		 6fi4A-4o62A:
16.59
6fi4B-4o62A:
6.06
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.
4pxn UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00171
(Aldedh) 		4 VAL A 421
LYS A 395
ASN A 271
PRO A 389
 None
 1.37A 6fi4A-4pxnA:
undetectable
6fi4B-4pxnA:
undetectable		 6fi4A-4pxnA:
17.47
6fi4B-4pxnA:
80.00
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.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 SER A  54
VAL A  53
LYS A  55
PRO A  91
 None
 1.46A 6fi4A-4rpfA:
undetectable
6fi4B-4rpfA:
undetectable		 6fi4A-4rpfA:
22.74
6fi4B-4rpfA:
6.58
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.
4w64 TYPE VI SECRETION
SYSTEM EFFECTOR,
HCP1 FAMILY

(Acinetobacter
baumannii) 		PF05638
(T6SS_HCP) 		4 VAL A  63
LYS A  64
ASN A  30
PRO A 124
 None
 1.47A 6fi4A-4w64A:
undetectable
6fi4B-4w64A:
undetectable		 6fi4A-4w64A:
23.55
6fi4B-4w64A:
9.68
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.
4wd1 ACETOACETATE-COA
LIGASE

(Streptomyces
lividans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 SER A  48
VAL A  49
ASN A 474
PRO A 447
 None
None
None
EDO  A 707 (-4.2A)
 1.11A 6fi4A-4wd1A:
undetectable
6fi4B-4wd1A:
undetectable		 6fi4A-4wd1A:
17.72
6fi4B-4wd1A:
0.91
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 SER A 146
VAL A 140
ASN A 242
PRO A 137
 None
 1.41A 6fi4A-4xj6A:
undetectable
6fi4B-4xj6A:
undetectable		 6fi4A-4xj6A:
21.45
6fi4B-4xj6A:
2.59
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 SER A1103
VAL A1102
LYS A1101
ASN A1098
 None
 1.43A 6fi4A-5a55A:
undetectable
6fi4B-5a55A:
undetectable		 6fi4A-5a55A:
12.71
6fi4B-5a55A:
0.86
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.
5c59 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		PF12704
(MacB_PCD) 		4 SER A  77
VAL A  76
ASN A 174
PRO A  54
 None
 1.41A 6fi4A-5c59A:
undetectable
6fi4B-5c59A:
undetectable		 6fi4A-5c59A:
22.61
6fi4B-5c59A:
3.38
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		4 SER A 343
VAL A 344
ASN A 432
PRO A 441
 None
 1.42A 6fi4A-5cbmA:
undetectable
6fi4B-5cbmA:
undetectable		 6fi4A-5cbmA:
18.55
6fi4B-5cbmA:
9.26
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 SER A 561
VAL A 562
ASN A 564
PRO A 518
 None
 1.08A 6fi4A-5dkxA:
3.0
6fi4B-5dkxA:
undetectable		 6fi4A-5dkxA:
12.89
6fi4B-5dkxA:
1.16
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.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 SER A 379
VAL A 376
ASN A 117
PRO A 165
 AKG  A 502 (-2.5A)
AKG  A 502 (-4.1A)
None
None
 1.39A 6fi4A-5ijzA:
undetectable
6fi4B-5ijzA:
undetectable		 6fi4A-5ijzA:
20.90
6fi4B-5ijzA:
7.58
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.
5jh5 POLYCOMB GROUP RING
FINGER PROTEIN 1

(Homo sapiens) 		PF16207
(RAWUL) 		4 SER C 253
VAL C 254
LYS C 255
PRO C 215
 None
 1.25A 6fi4A-5jh5C:
undetectable
6fi4B-5jh5C:
undetectable		 6fi4A-5jh5C:
19.42
6fi4B-5jh5C:
4.81
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.
5kbm CELL SURFACE CU-ONLY
SUPEROXIDE DISMUTASE
5

(Candida
albicans) 		PF00080
(Sod_Cu) 		4 SER A  59
VAL A  58
LYS A  47
PRO A  50
 None
 1.20A 6fi4A-5kbmA:
undetectable
6fi4B-5kbmA:
undetectable		 6fi4A-5kbmA:
21.16
6fi4B-5kbmA:
9.26
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.
5l5g PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		4 SER A 474
VAL A 475
LYS A 454
PRO A 481
 None
 1.35A 6fi4A-5l5gA:
undetectable
6fi4B-5l5gA:
undetectable		 6fi4A-5l5gA:
11.21
6fi4B-5l5gA:
1.38
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.
5m50 CALMODULIN-REGULATED
SPECTRIN-ASSOCIATED
PROTEIN 3

(Mus musculus) 		PF08683
(CAMSAP_CKK) 		4 SER C1225
VAL C1226
LYS C1206
PRO C1218
 None
 1.10A 6fi4A-5m50C:
undetectable
6fi4B-5m50C:
undetectable		 6fi4A-5m50C:
18.92
6fi4B-5m50C:
3.61
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 4 SER A 565
VAL A 572
ASN A 104
PRO A 282
 None
 1.49A 6fi4A-5oynA:
undetectable
6fi4B-5oynA:
undetectable		 6fi4A-5oynA:
undetectable
6fi4B-5oynA:
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.
5udf LIPOPROTEIN-RELEASIN
G SYSTEM
TRANSMEMBRANE
PROTEIN LOLE

(Acinetobacter
baumannii) 		PF12704
(MacB_PCD) 		4 SER A 141
VAL A 140
ASN A 139
PRO A 134
 None
 1.12A 6fi4A-5udfA:
undetectable
6fi4B-5udfA:
undetectable		 6fi4A-5udfA:
19.69
6fi4B-5udfA:
10.00
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 4 SER A 531
VAL A 530
ASN A 529
PRO A 505
 None
 1.31A 6fi4A-5vncA:
3.2
6fi4B-5vncA:
undetectable		 6fi4A-5vncA:
undetectable
6fi4B-5vncA:
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.
5xog RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE

(Komagataella
phaffii) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		4 SER C  73
VAL C 129
ASN C 128
PRO C 132
 None
 1.29A 6fi4A-5xogC:
undetectable
6fi4B-5xogC:
undetectable		 6fi4A-5xogC:
21.29
6fi4B-5xogC:
3.88
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.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 4 SER A 386
VAL A 383
ASN A 103
PRO A 151
 None
 1.36A 6fi4A-5xviA:
undetectable
6fi4B-5xviA:
undetectable		 6fi4A-5xviA:
undetectable
6fi4B-5xviA:
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.
5xxu RIBOSOMAL PROTEIN
US17

(Toxoplasma
gondii) 		PF00366
(Ribosomal_S17)
PF16205
(Ribosomal_S17_N) 		4 SER L  67
VAL L  66
ASN L 141
PRO L 133
 A  2 113 ( 2.6A)
None
None
U  2 335 ( 3.5A)
 1.17A 6fi4A-5xxuL:
undetectable
6fi4B-5xxuL:
undetectable		 6fi4A-5xxuL:
19.51
6fi4B-5xxuL:
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.
5xyi UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00366
(Ribosomal_S17)
PF16205
(Ribosomal_S17_N) 		4 SER L  63
VAL L  62
ASN L 136
PRO L 128
 A  2 104 ( 2.6A)
None
None
U  2 265 ( 3.4A)
 1.26A 6fi4A-5xyiL:
undetectable
6fi4B-5xyiL:
undetectable		 6fi4A-5xyiL:
21.79
6fi4B-5xyiL:
6.45
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.
6br8 PROTEIN A6 HOMOLOG

(Fowlpox virus) 		no annotation 4 SER A 237
VAL A 236
LYS A 234
ASN A 233
 None
None
None
6OU  A 405 (-3.7A)
 1.46A 6fi4A-6br8A:
undetectable
6fi4B-6br8A:
undetectable		 6fi4A-6br8A:
undetectable
6fi4B-6br8A:
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 4 SER A  53
VAL A  54
ASN A 236
PRO A 239
 None
 1.44A 6fi4A-6cboA:
undetectable
6fi4B-6cboA:
undetectable		 6fi4A-6cboA:
undetectable
6fi4B-6cboA:
undetectable