SIMILAR PATTERNS OF AMINO ACIDS FOR 1N2X_B_SAMB402_1

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.
1cmv HUMAN
CYTOMEGALOVIRUS
PROTEASE

(Human
betaherpesvirus
5) 		PF00716
(Peptidase_S21) 		4 ASP A 227
VAL A 226
SER A 225
ASP A  64
 None
 1.47A 1n2xB-1cmvA:
undetectable		 1n2xB-1cmvA:
23.15
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.
1ixk METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		4 ASP A 150
VAL A 151
SER A 176
ASP A 124
 None
 1.02A 1n2xB-1ixkA:
16.2		 1n2xB-1ixkA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jye LACTOSE OPERON
REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		4 ASP A 302
VAL A 301
SER A 300
GLN A  89
 None
 1.39A 1n2xB-1jyeA:
4.4		 1n2xB-1jyeA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ka0 HALOTOLERANCE
PROTEIN HAL2

(Saccharomyces
cerevisiae) 		PF00459
(Inositol_P) 		4 ASP A 277
VAL A 278
SER A 334
ASP A 227
 None
 1.47A 1n2xB-1ka0A:
undetectable		 1n2xB-1ka0A:
21.11
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.
1lwu FIBRINOGEN BETA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 VAL B 455
SER B 466
ASP B 333
GLN B 274
 None
 1.29A 1n2xB-1lwuB:
undetectable		 1n2xB-1lwuB:
21.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		4 ASP A  55
VAL A  56
SER A  81
ASP A  30
 SAH  A 401 (-2.7A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.0A)
SAH  A 401 ( 4.9A)
 1.25A 1n2xB-1m6yA:
43.1		 1n2xB-1m6yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		5 ASP A  55
VAL A  56
SER A  81
ASP A 103
GLN A 110
 SAH  A 401 (-2.7A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.0A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.3A)
 0.17A 1n2xB-1m6yA:
43.1		 1n2xB-1m6yA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p91 RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 ASP A 116
VAL A 117
SER A 138
ASP A  91
 None
 1.31A 1n2xB-1p91A:
11.5		 1n2xB-1p91A:
22.77
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		4 ASP A 274
SER A 279
ASP A 255
GLN A 263
 None
None
ZN  A 401 ( 2.2A)
None
 1.37A 1n2xB-1p9eA:
undetectable		 1n2xB-1p9eA:
22.44
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.
1t5j HYPOTHETICAL PROTEIN
MJ1187

(Methanocaldococcus
jannaschii) 		PF03747
(ADP_ribosyl_GH) 		4 ASP A 253
VAL A 221
SER A 121
ASP A  97
 MG  A 500 (-3.3A)
None
None
MG  A 500 ( 4.9A)
 1.46A 1n2xB-1t5jA:
undetectable		 1n2xB-1t5jA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 VAL A 253
SER A 235
ASP A 213
GLN A 218
 None
None
EDO  A9009 (-3.7A)
None
 1.50A 1n2xB-1xc6A:
undetectable		 1n2xB-1xc6A:
16.47
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.
1xmx HYPOTHETICAL PROTEIN
VC1899

(Vibrio cholerae) 		PF09002
(DUF1887) 		4 ASP A  11
VAL A  13
ASP A 328
GLN A 334
 None
 1.15A 1n2xB-1xmxA:
4.6		 1n2xB-1xmxA:
22.89
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.
1xp8 RECA PROTEIN

(Deinococcus
radiodurans) 		PF00154
(RecA) 		4 ASP A  60
SER A  58
ASP A 334
GLN A  94
 None
 1.46A 1n2xB-1xp8A:
2.6		 1n2xB-1xp8A:
23.53
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.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 ASP B 335
VAL B 336
SER B 592
ASP B 303
 None
 1.38A 1n2xB-2c6wB:
undetectable		 1n2xB-2c6wB:
21.36
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.
2cfc 2-(R)-HYDROXYPROPYL-
COM DEHYDROGENASE

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		4 ASP A  82
VAL A   4
SER A   2
GLN A 132
 None
 1.50A 1n2xB-2cfcA:
9.9		 1n2xB-2cfcA:
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.
2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		4 ASP A 317
VAL A 314
SER A 315
ASP A 297
 None
 1.42A 1n2xB-2efjA:
11.3		 1n2xB-2efjA:
21.11
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.
2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 ASP A 115
VAL A 157
SER A 158
GLN A  83
 None
 1.38A 1n2xB-2ffuA:
2.1		 1n2xB-2ffuA:
21.01
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.
2fli RIBULOSE-PHOSPHATE
3-EPIMERASE

(Streptococcus
pyogenes) 		PF00834
(Ribul_P_3_epim) 		4 VAL A 196
SER A   9
ASP A  86
GLN A 134
 None
DX5  A1901 (-2.7A)
None
None
 1.21A 1n2xB-2fliA:
undetectable		 1n2xB-2fliA:
20.20
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.
2hek HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF01966
(HD) 		4 ASP A 164
VAL A  58
SER A 160
GLN A  36
 None
None
None
GOL  A 407 ( 3.8A)
 1.39A 1n2xB-2hekA:
undetectable		 1n2xB-2hekA:
26.52
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.
2ip6 PAPB

(Pediococcus
pentosaceus) 		PF08951
(EntA_Immun) 		4 ASP A  72
VAL A  71
SER A  67
ASP A  38
 None
 0.87A 1n2xB-2ip6A:
undetectable		 1n2xB-2ip6A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2izo FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Sulfolobus
solfataricus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 ASP A  24
VAL A  75
SER A  22
ASP A 172
 MG  A1349 ( 4.3A)
None
None
None
 0.98A 1n2xB-2izoA:
2.1		 1n2xB-2izoA:
24.11
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.
2plw RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF01728
(FtsJ) 		4 ASP A  95
VAL A  94
SER A  93
GLN A 142
 None
 1.30A 1n2xB-2plwA:
14.2		 1n2xB-2plwA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q48 PROTEIN AT5G48480

(Arabidopsis
thaliana) 		no annotation 4 ASP A  86
VAL A  37
SER A  72
GLN A  35
 None
 1.45A 1n2xB-2q48A:
undetectable		 1n2xB-2q48A:
22.92
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.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		4 ASP A 267
VAL A 268
SER A 286
ASP A 262
 None
 1.48A 1n2xB-2q7vA:
4.2		 1n2xB-2q7vA:
23.48
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.
2rb8 TENASCIN

(Homo sapiens) 		PF00041
(fn3) 		4 ASP A 831
VAL A 830
SER A 875
ASP A 879
 None
 1.26A 1n2xB-2rb8A:
undetectable		 1n2xB-2rb8A:
15.28
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.
2v2f PENICILLIN BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 ASP F 335
VAL F 336
SER F 592
ASP F 303
 None
 1.35A 1n2xB-2v2fF:
undetectable		 1n2xB-2v2fF:
21.46
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.
2vvd SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 4 ASP A 225
VAL A 224
SER A 221
ASP A 307
 None
 1.31A 1n2xB-2vvdA:
undetectable		 1n2xB-2vvdA:
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.
2vve SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 4 ASP A 224
VAL A 223
SER A 220
ASP A 306
 None
 1.26A 1n2xB-2vveA:
undetectable		 1n2xB-2vveA:
20.13
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.
2w0c PROTEIN 2

(Pseudoalteromonas
virus PM2) 		no annotation 4 ASP L 224
VAL L 223
SER L 220
ASP L 306
 None
 1.24A 1n2xB-2w0cL:
undetectable		 1n2xB-2w0cL:
20.85
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.
2xa0 APOPTOSIS REGULATOR
BCL-2

(Homo sapiens) 		PF00452
(Bcl-2)
PF02180
(BH4) 		4 ASP A 171
VAL A 170
SER A 167
ASP A  31
 None
 1.29A 1n2xB-2xa0A:
undetectable		 1n2xB-2xa0A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 ASP A 666
VAL A 661
SER A 662
GLN A 189
 None
 1.50A 1n2xB-2xvgA:
undetectable		 1n2xB-2xvgA:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bji PROTO-ONCOGENE VAV

(Homo sapiens) 		PF00130
(C1_1)
PF00169
(PH)
PF00621
(RhoGEF) 		4 ASP A 376
VAL A 373
SER A 285
GLN A 542
 None
 1.24A 1n2xB-3bjiA:
undetectable		 1n2xB-3bjiA:
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.
3bwk CYSTEINE PROTEASE
FALCIPAIN-3

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		4 VAL A  57
SER A  56
ASP A  44
GLN A 110
 None
 1.45A 1n2xB-3bwkA:
undetectable		 1n2xB-3bwkA:
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.
3c30 AUTOINDUCER 2 SENSOR
KINASE/PHOSPHATASE
LUXQ

(Vibrio cholerae) 		PF09308
(LuxQ-periplasm) 		4 ASP A 104
VAL A 103
SER A 102
ASP A 127
 None
 1.38A 1n2xB-3c30A:
undetectable		 1n2xB-3c30A:
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.
3fip OUTER MEMBRANE USHER
PROTEIN PAPC

(Escherichia
coli) 		PF00577
(Usher) 		4 ASP A 285
VAL A 275
SER A 277
GLN A 167
 None
 1.13A 1n2xB-3fipA:
undetectable		 1n2xB-3fipA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		4 VAL A  58
SER A 357
ASP A 365
GLN A 117
 None
 1.43A 1n2xB-3g77A:
2.2		 1n2xB-3g77A:
22.53
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.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 VAL A 106
SER A  48
ASP A 167
GLN A 141
 None
 1.30A 1n2xB-3gg4A:
undetectable		 1n2xB-3gg4A:
18.18
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.
3hrp UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 VAL A 381
SER A 379
ASP A 354
GLN A 125
 None
None
MPD  A   1 (-3.3A)
MPD  A   1 (-4.6A)
 1.47A 1n2xB-3hrpA:
undetectable		 1n2xB-3hrpA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i23 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Enterococcus
faecalis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A 154
VAL A 230
SER A 229
ASP A 211
 None
 1.25A 1n2xB-3i23A:
6.3		 1n2xB-3i23A:
25.20
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.
3i6b 3-DEOXY-D-MANNO-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		4 VAL A  33
SER A  38
ASP A  85
GLN A  97
 PO4  A 800 (-3.9A)
None
None
None
 1.08A 1n2xB-3i6bA:
3.0		 1n2xB-3i6bA:
20.65
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 VAL A 183
SER A 160
ASP A 388
GLN A 418
 None
 1.26A 1n2xB-3ie1A:
2.4		 1n2xB-3ie1A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ij5 3-DEOXY-D-MANNO-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE

(Yersinia pestis) 		PF08282
(Hydrolase_3) 		4 VAL A  32
SER A  37
ASP A  84
GLN A  96
 None
 1.21A 1n2xB-3ij5A:
3.7		 1n2xB-3ij5A:
19.41
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.
3itd 17BETA-HYDROXYSTEROI
D DEHYDROGENASE

(Curvularia
lunata) 		PF13561
(adh_short_C2) 		4 ASP A 175
VAL A 174
SER A 170
ASP A 158
 None
 1.10A 1n2xB-3itdA:
9.0		 1n2xB-3itdA:
22.51
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.
3krn PROTEIN C14A4.5,
CONFIRMED BY
TRANSCRIPT EVIDENCE

(Caenorhabditis
elegans) 		PF01138
(RNase_PH) 		4 ASP A 212
VAL A 211
SER A 210
ASP A 118
 None
 1.46A 1n2xB-3krnA:
undetectable		 1n2xB-3krnA:
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.
3lwx NADH:UBIQUINONE
OXIDOREDUCTASE, NA
TRANSLOCATING, C
SUBUNIT

(Parabacteroides
distasonis) 		PF04205
(FMN_bind) 		4 ASP A 252
VAL A 225
SER A 248
GLN A 235
 GOL  A 273 (-3.0A)
None
None
GOL  A 273 (-3.4A)
 1.46A 1n2xB-3lwxA:
undetectable		 1n2xB-3lwxA:
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.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 ASP A 228
VAL A 232
SER A 234
ASP A 248
 SAH  A 401 (-2.9A)
None
None
SAH  A 401 (-3.6A)
 1.27A 1n2xB-3p9cA:
11.6		 1n2xB-3p9cA:
21.39
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.
3psi TRANSCRIPTION
ELONGATION FACTOR
SPT6

(Saccharomyces
cerevisiae) 		PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD) 		4 ASP A 358
VAL A 357
SER A 356
ASP A 412
 None
 1.24A 1n2xB-3psiA:
undetectable		 1n2xB-3psiA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 ASP A 259
VAL A 260
SER A 269
ASP A  46
 None
 1.22A 1n2xB-3ti7A:
2.6		 1n2xB-3ti7A:
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		4 ASP A  93
VAL A  94
SER A 120
ASP A  67
 SAH  A 224 (-3.0A)
SAH  A 224 (-4.7A)
None
SAH  A 224 ( 4.6A)
 1.31A 1n2xB-3tr6A:
15.4		 1n2xB-3tr6A:
22.15
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		4 ASP A  93
VAL A  94
SER A 120
ASP A 144
 SAH  A 224 (-3.0A)
SAH  A 224 (-4.7A)
None
NI  A 223 ( 2.5A)
 1.23A 1n2xB-3tr6A:
15.4		 1n2xB-3tr6A:
22.15
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ASP A 116
VAL A 129
SER A 131
ASP A 438
 None
 1.44A 1n2xB-3u95A:
4.5		 1n2xB-3u95A:
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.
3ugg SUCROSE:(SUCROSE/FRU
CTAN)
6-FRUCTOSYLTRANSFERA
SE

(Pachysandra
terminalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A 307
VAL A 461
SER A 462
GLN A  18
 None
 1.49A 1n2xB-3uggA:
undetectable		 1n2xB-3uggA:
21.47
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.
3vv3 DESEASIN MCP-01

(Pseudoalteromonas
sp. SM9913) 		PF00082
(Peptidase_S8) 		4 ASP A 245
VAL A 244
SER A 214
ASP A 219
 None
 1.49A 1n2xB-3vv3A:
undetectable		 1n2xB-3vv3A:
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ASP A 458
VAL A 457
SER A 456
ASP A 243
 None
 1.36A 1n2xB-4av6A:
undetectable		 1n2xB-4av6A:
17.34
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.
4dqa UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF08522
(DUF1735)
PF13385
(Laminin_G_3) 		4 VAL A 211
SER A 285
ASP A 279
GLN A 235
 None
 1.01A 1n2xB-4dqaA:
undetectable		 1n2xB-4dqaA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eps HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF13149
(Mfa_like_1) 		4 ASP A 217
VAL A 216
SER A 215
ASP A 315
 None
None
GOL  A 614 ( 4.1A)
GOL  A 613 (-3.4A)
 1.49A 1n2xB-4epsA:
undetectable		 1n2xB-4epsA:
19.69
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.
4fe9 OUTER MEMBRANE
PROTEIN SUSF

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE)
PF17142
(DUF5115) 		4 ASP A 233
VAL A 230
SER A 229
ASP A 237
 None
 1.32A 1n2xB-4fe9A:
undetectable		 1n2xB-4fe9A:
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		4 ASP A 315
SER A 311
ASP A 335
GLN A 265
 None
 1.09A 1n2xB-4fgmA:
undetectable		 1n2xB-4fgmA:
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.
4gpd APO-D-GLYCERALDEHYDE
-3-PHOSPHATE
DEHYDROGENASE

(Homarus
americanus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 VAL 1 320
SER 1 118
ASP 1 311
GLN 1 318
 None
 1.23A 1n2xB-4gpd1:
undetectable		 1n2xB-4gpd1:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iw7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Francisella
tularensis) 		PF00155
(Aminotran_1_2) 		4 VAL A 161
SER A 189
ASP A 172
GLN A 141
 None
 1.49A 1n2xB-4iw7A:
3.7		 1n2xB-4iw7A:
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.
4kdw ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 4 ASP A  94
VAL A  93
SER A  85
ASP A  80
 None
 1.37A 1n2xB-4kdwA:
undetectable		 1n2xB-4kdwA:
16.72
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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 VAL A 126
SER A 124
ASP A 189
GLN A 231
 None
 1.44A 1n2xB-4okdA:
undetectable		 1n2xB-4okdA:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p99 MPAFP_RII
TETRA-TANDEMER

(Marinomonas
primoryensis) 		no annotation 4 ASP A  94
VAL A  93
SER A  85
ASP A  80
 None
None
None
CA  A 508 ( 2.3A)
 1.37A 1n2xB-4p99A:
undetectable		 1n2xB-4p99A:
18.10
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.
4p99 MPAFP_RII
TETRA-TANDEMER

(Marinomonas
primoryensis) 		no annotation 4 ASP A 198
VAL A 197
SER A 189
ASP A 184
 None
 1.42A 1n2xB-4p99A:
undetectable		 1n2xB-4p99A:
18.10
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.
4p99 MPAFP_RII
TETRA-TANDEMER

(Marinomonas
primoryensis) 		no annotation 4 ASP A 302
VAL A 301
SER A 293
ASP A 288
 None
EDO  A 530 (-4.8A)
None
CA  A 524 ( 2.2A)
 1.38A 1n2xB-4p99A:
undetectable		 1n2xB-4p99A:
18.10
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.
4p99 MPAFP_RII
TETRA-TANDEMER

(Marinomonas
primoryensis) 		no annotation 4 ASP A 406
VAL A 405
SER A 397
ASP A 392
 None
 1.41A 1n2xB-4p99A:
undetectable		 1n2xB-4p99A:
18.10
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.
4pju COHESIN SUBUNIT SA-2
DOUBLE-STRAND-BREAK
REPAIR PROTEIN RAD21
HOMOLOG

(Homo sapiens;
Homo sapiens) 		PF08514
(STAG)
no annotation 		4 ASP A 381
VAL B 348
SER A 377
ASP A 338
 None
 1.40A 1n2xB-4pjuA:
undetectable		 1n2xB-4pjuA:
16.39
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		4 ASP A 307
VAL A 640
SER A 641
ASP A 305
 None
 1.35A 1n2xB-4qi4A:
undetectable		 1n2xB-4qi4A:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		4 ASP A 307
VAL A 640
SER A 641
ASP A 305
 None
 1.35A 1n2xB-4qi6A:
2.7		 1n2xB-4qi6A:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk2 PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF01547
(SBP_bac_1) 		4 ASP A 405
SER A 408
ASP A 400
GLN A 234
 None
 1.40A 1n2xB-4rk2A:
undetectable		 1n2xB-4rk2A:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl1 TYPE I POLYKETIDE
SYNTHASE AVES 1

(Streptomyces
avermitilis) 		PF00698
(Acyl_transf_1) 		4 ASP A 223
VAL A 224
ASP A  86
GLN A  35
 None
 1.46A 1n2xB-4rl1A:
undetectable		 1n2xB-4rl1A:
24.44
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 VAL A  60
SER A  93
ASP A 250
GLN A  66
 None
3G6  A 402 (-2.7A)
None
None
 1.37A 1n2xB-4ubtA:
undetectable		 1n2xB-4ubtA:
22.17
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.
4xcr SUPEROXIDE DISMUTASE
[CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		4 ASP A  71
VAL A  29
SER A  75
ASP A  53
 None
 1.31A 1n2xB-4xcrA:
undetectable		 1n2xB-4xcrA:
17.33
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.
5a6f GATING RING OF
POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a) 		4 VAL C 357
SER C 359
ASP C 447
GLN C 469
 None
 1.44A 1n2xB-5a6fC:
6.5		 1n2xB-5a6fC:
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.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		4 ASP A 181
VAL A 182
SER A 183
ASP A 213
 None
 1.21A 1n2xB-5bszA:
14.2		 1n2xB-5bszA:
23.58
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.
5cj5 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycolicibacterium
thermoresistibile) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		4 VAL A 412
SER A 441
ASP A 498
GLN A 343
 None
 1.27A 1n2xB-5cj5A:
undetectable		 1n2xB-5cj5A:
17.91
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.
5cxc RIBOSOME BIOGENESIS
PROTEIN ERB1

(Chaetomium
thermophilum) 		PF00400
(WD40) 		4 ASP B 778
VAL B 459
SER B 790
ASP B 681
 None
 1.45A 1n2xB-5cxcB:
undetectable		 1n2xB-5cxcB:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxf TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		4 VAL A 383
SER A 380
ASP A 338
GLN A 348
 None
 1.23A 1n2xB-5dxfA:
undetectable		 1n2xB-5dxfA:
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.
5f2o FATTY ACID
O-METHYLTRANSFERASE

(Mycobacterium
marinum) 		PF03492
(Methyltransf_7) 		4 ASP A  98
VAL A  99
SER A 133
ASP A  62
 SAH  A 400 (-2.8A)
SAH  A 400 (-4.3A)
SAH  A 400 (-3.0A)
None
 1.32A 1n2xB-5f2oA:
11.1		 1n2xB-5f2oA:
19.52
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.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A 418
VAL A 389
SER A 390
ASP A 592
 None
 1.46A 1n2xB-5fkcA:
undetectable		 1n2xB-5fkcA:
18.22
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 VAL C 698
SER C 699
ASP C 666
GLN C 670
 None
 1.46A 1n2xB-5g5gC:
undetectable		 1n2xB-5g5gC:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		4 ASP A 645
VAL A 614
SER A 592
ASP A 673
 None
NAG  A 912 (-4.6A)
NAG  A 912 ( 4.7A)
None
 1.16A 1n2xB-5hdhA:
undetectable		 1n2xB-5hdhA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i08 SPIKE GLYCOPROTEIN,
ENVELOPE
GLYCOPROTEIN CHIMERA

(Human
immunodeficiency
virus 1;
Human
coronavirus
HKU1) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		4 ASP A 389
VAL A 388
SER A 590
ASP A 417
 None
 1.45A 1n2xB-5i08A:
undetectable		 1n2xB-5i08A:
11.18
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.
5irb RTX-ADHESIN

(Marinomonas
primoryensis) 		no annotation 4 ASP A 484
VAL A 483
SER A 475
ASP A 470
 None
 1.41A 1n2xB-5irbA:
undetectable		 1n2xB-5irbA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iz5 CYTOSOLIC
PHOSPHOLIPASE A2
DELTA

(Homo sapiens) 		no annotation 4 ASP B 110
VAL B  87
ASP B 620
GLN B 613
 None
 1.24A 1n2xB-5iz5B:
3.4		 1n2xB-5iz5B:
16.89
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.
5j6y ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		PF07691
(PA14) 		4 ASP A 111
SER A 130
ASP A  60
GLN A  27
 BGC  A 310 ( 2.5A)
BGC  A 310 ( 4.8A)
None
CA  A 302 (-3.2A)
 1.03A 1n2xB-5j6yA:
undetectable		 1n2xB-5j6yA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN9

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 VAL O  78
SER O  77
ASP O 110
GLN O 105
 None
 1.24A 1n2xB-5mpdO:
undetectable		 1n2xB-5mpdO:
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.
5ndf POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		no annotation 4 ASP A 115
VAL A 157
SER A 158
GLN A  83
 None
 1.37A 1n2xB-5ndfA:
2.0		 1n2xB-5ndfA:
20.28
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.
5sx4 EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF01030
(Recep_L_domain) 		4 VAL M 417
SER M 440
ASP M 436
GLN M 408
 None
 1.14A 1n2xB-5sx4M:
undetectable		 1n2xB-5sx4M:
25.76
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.
5vtm TYPE II SECRETION
SYSTEM PROTEIN K

(Pseudomonas
aeruginosa) 		no annotation 4 ASP X 187
VAL X 188
SER X 209
GLN X 315
 None
 1.47A 1n2xB-5vtmX:
undetectable		 1n2xB-5vtmX:
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 4 ASP A 249
VAL A 246
SER A 241
ASP A 457
 None
 1.30A 1n2xB-6f72A:
undetectable		 1n2xB-6f72A:
undetectable