SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2I_B_QPSB1060_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.
1arl APO-CARBOXYPEPTIDASE
A=ALPHA= (COX)

(Bos taurus) 		PF00246
(Peptidase_M14) 		5 VAL A 180
SER A 258
SER A 266
GLY A 252
ALA A 149
 None
 1.25A 2x2iB-1arlA:
0.0		 2x2iB-1arlA:
14.35
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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 VAL A 536
SER A 614
SER A 622
GLY A 608
ALA A 505
 None
 1.29A 2x2iB-1dtdA:
0.0		 2x2iB-1dtdA:
13.81
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.
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanosarcina
barkeri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 THR B2401
SER B2326
ASN B2315
ALA B2322
GLN B2402
 None
 1.44A 2x2iB-1e6yB:
0.0		 2x2iB-1e6yB:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 THR A 372
PHE A 414
GLY A 454
ALA A 452
GLN A 368
 None
 1.19A 2x2iB-1fohA:
0.6		 2x2iB-1fohA:
19.85
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.
1glo CATHEPSIN S

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 PHE A  28
ASN A  63
GLY A  68
ALA A  24
GLN A  19
 None
 1.30A 2x2iB-1gloA:
undetectable		 2x2iB-1gloA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1glo CATHEPSIN S

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 SER A  29
SER A 135
GLY A  68
ALA A  24
GLN A  19
 None
 1.49A 2x2iB-1gloA:
undetectable		 2x2iB-1gloA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima) 		PF01430
(HSP33) 		5 THR A  37
SER A 199
SER A 197
GLY A  41
ALA A 168
 None
None
None
None
CL  A 301 (-4.8A)
 1.16A 2x2iB-1vq0A:
1.2		 2x2iB-1vq0A:
14.38
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 THR A 432
VAL A  33
PHE A 316
ASN A 428
ALA A 318
 None
None
None
FAD  A 501 (-3.2A)
None
 1.37A 2x2iB-1zr6A:
0.0		 2x2iB-1zr6A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zyp ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Salmonella
enterica) 		PF13192
(Thioredoxin_3) 		5 VAL A 168
SER A 126
SER A 128
ASN A 131
GLY A 184
 None
 1.24A 2x2iB-1zypA:
0.0		 2x2iB-1zypA:
11.60
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 THR A 240
SER A 133
ASN A  37
GLY A 279
ALA A 283
 None
 1.42A 2x2iB-2afbA:
0.2		 2x2iB-2afbA:
16.19
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.
2b3b GLUCOSE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF01547
(SBP_bac_1) 		5 VAL A 232
SER A 223
TRP A 224
GLY A 247
ALA A 245
 None
None
GLC  A2605 ( 4.5A)
None
None
 1.44A 2x2iB-2b3bA:
undetectable		 2x2iB-2b3bA:
16.10
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.
2bod ENDOGLUCANASE E-2

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 VAL X  71
SER X 220
ASN X 190
GLY X 158
ALA X 185
 None
None
SGC  X1288 ( 3.8A)
None
None
 1.24A 2x2iB-2bodX:
2.7		 2x2iB-2bodX:
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.
2c0y PROCATHEPSIN S

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 PHE A 127
ASN A 162
GLY A 167
ALA A 123
GLN A 118
 None
 1.39A 2x2iB-2c0yA:
undetectable		 2x2iB-2c0yA:
16.45
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.
2e11 HYDROLASE

(Xanthomonas
campestris) 		PF00795
(CN_hydrolase) 		5 THR A 239
VAL A 219
PHE A 197
TRP A 136
GLN A 227
 None
 1.26A 2x2iB-2e11A:
0.2		 2x2iB-2e11A:
14.02
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.
2izw RYEGRASS MOTTLE
VIRUS COAT PROTEIN

(Ryegrass mottle
virus) 		PF00729
(Viral_coat) 		5 VAL A  88
PHE A  90
SER A 102
GLY A  69
ALA A 219
 None
 1.44A 2x2iB-2izwA:
undetectable		 2x2iB-2izwA:
13.11
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 THR G1777
SER G1973
SER G1850
GLY G1835
GLN G1669
 None
 1.36A 2x2iB-2uv8G:
undetectable		 2x2iB-2uv8G:
18.75
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.
2wlt L-ASPARAGINASE

(Helicobacter
pylori) 		PF00710
(Asparaginase) 		5 PHE A 235
SER A 238
SER A 241
GLY A 271
ALA A 267
 None
 1.14A 2x2iB-2wltA:
undetectable		 2x2iB-2wltA:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 SER F 218
SER F 278
TRP F 277
GLY F 213
ALA F 189
 None
 1.29A 2x2iB-2wnpF:
undetectable		 2x2iB-2wnpF:
13.13
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.
2yn7 OUTER SURFACE
PROTEIN

(Borreliella
burgdorferi) 		PF05714
(Borrelia_lipo_1) 		5 PHE A 281
SER A 376
ASN A 371
GLY A 367
ALA A 365
 None
 1.47A 2x2iB-2yn7A:
undetectable		 2x2iB-2yn7A:
12.17
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.
2z06 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0625

(Thermus
thermophilus) 		PF13277
(YmdB) 		5 SER A  49
ASN A  38
GLY A 202
ALA A 222
GLN A 224
 None
 1.49A 2x2iB-2z06A:
undetectable		 2x2iB-2z06A:
14.01
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 THR A 457
SER A 218
SER A 174
ASN A 188
ALA A  35
 None
 1.49A 2x2iB-3bgaA:
undetectable		 2x2iB-3bgaA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		5 VAL A 425
PHE A 420
SER A 358
GLY A 432
ALA A 430
 None
 1.28A 2x2iB-3czeA:
11.1		 2x2iB-3czeA:
21.00
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		5 VAL A 193
SER A  88
SER A  86
GLY A 222
ALA A 112
 None
 1.04A 2x2iB-3djaA:
undetectable		 2x2iB-3djaA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 SER A 488
SER A 516
ASN A 519
GLY A 464
GLN A 437
 None
None
None
None
NHE  A 693 (-3.5A)
 1.34A 2x2iB-3gq9A:
undetectable		 2x2iB-3gq9A:
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 VAL X 758
SER X 783
SER X 780
ASN X 983
GLY X1009
 None
 1.46A 2x2iB-3jb9X:
undetectable		 2x2iB-3jb9X:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1c ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
2) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		5 VAL A 434
PHE A 256
SER A 277
GLY A 425
ALA A 422
 None
 1.25A 2x2iB-3m1cA:
undetectable		 2x2iB-3m1cA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ocr CLASS II
ALDOLASE/ADDUCIN
DOMAIN PROTEIN

(Pseudomonas
savastanoi) 		PF00596
(Aldolase_II) 		5 VAL A 155
PHE A 151
SER A 148
SER A 145
GLY A 131
 None
 1.16A 2x2iB-3ocrA:
undetectable		 2x2iB-3ocrA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s7w EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
nitratireducens) 		PF02335
(Cytochrom_C552) 		5 THR A 366
VAL A 332
SER A 441
GLY A 489
ALA A 496
 None
 1.47A 2x2iB-3s7wA:
undetectable		 2x2iB-3s7wA:
19.28
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.
3s7w EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
nitratireducens) 		PF02335
(Cytochrom_C552) 		5 THR A 366
VAL A 332
SER A 441
GLY A 489
GLN A 495
 None
 1.34A 2x2iB-3s7wA:
undetectable		 2x2iB-3s7wA:
19.28
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.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 THR A 351
SER A 449
TRP A 446
GLY A 502
ALA A 506
 None
 1.41A 2x2iB-3sqgA:
undetectable		 2x2iB-3sqgA:
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 VAL A 553
PHE A  52
ASN A 139
GLY A  29
ALA A  27
 None
 1.45A 2x2iB-3zuqA:
undetectable		 2x2iB-3zuqA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		5 VAL A 250
SER A 369
SER A 332
GLY A 176
ALA A 258
 None
 1.22A 2x2iB-4binA:
undetectable		 2x2iB-4binA:
17.53
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.
4bsq CATHEPSIN S

(Mus musculus) 		PF00112
(Peptidase_C1) 		5 PHE A 150
ASN A 186
GLY A 191
ALA A 146
GLN A 141
 None
None
QQV  A1341 (-3.1A)
None
QQV  A1341 (-3.3A)
 1.33A 2x2iB-4bsqA:
undetectable		 2x2iB-4bsqA:
12.89
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.
4bsq CATHEPSIN S

(Mus musculus) 		PF00112
(Peptidase_C1) 		5 SER A 151
SER A 258
GLY A 191
ALA A 146
GLN A 141
 None
None
QQV  A1341 (-3.1A)
None
QQV  A1341 (-3.3A)
 1.46A 2x2iB-4bsqA:
undetectable		 2x2iB-4bsqA:
12.89
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.
4czp EXTRALONG MANGANESE
PEROXIDASE

(Gelatoporia
subvermispora) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 VAL A 106
SER A  80
GLY A  62
ALA A  48
GLN A 107
 None
None
CA  A1371 (-4.2A)
None
None
 1.38A 2x2iB-4czpA:
undetectable		 2x2iB-4czpA:
15.60
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.
4dhe PROBABLE GTP-BINDING
PROTEIN ENGB

(Burkholderia
thailandensis) 		PF01926
(MMR_HSR1) 		5 THR A 148
PHE A  30
ASN A  35
GLY A  37
ALA A  41
 CL  A 303 ( 3.1A)
None
None
CL  A 303 ( 3.7A)
None
 1.36A 2x2iB-4dheA:
undetectable		 2x2iB-4dheA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dry 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		5 THR A 246
SER A 160
GLY A 149
ALA A 153
GLN A 154
 None
 1.34A 2x2iB-4dryA:
undetectable		 2x2iB-4dryA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxd DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 THR A 708
SER A 761
SER A 540
GLY A 704
ALA A 700
 None
 1.41A 2x2iB-4fxdA:
undetectable		 2x2iB-4fxdA:
20.89
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.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 THR A 408
VAL A 291
PHE A 340
TRP A 321
GLY A 363
 None
 1.20A 2x2iB-4gaxA:
undetectable		 2x2iB-4gaxA:
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.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		5 THR A  44
VAL A  51
SER A 112
ALA A  20
GLN A  46
 None
 0.95A 2x2iB-4jjpA:
undetectable		 2x2iB-4jjpA:
12.34
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.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 THR A 207
SER A 412
SER A 449
GLY A 203
ALA A 428
 None
 1.46A 2x2iB-4l4xA:
undetectable		 2x2iB-4l4xA:
20.02
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.
4o7m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Shewanella
loihica) 		PF03480
(DctP) 		5 VAL A 195
PHE A 187
SER A 159
GLY A 172
ALA A 192
 None
 1.44A 2x2iB-4o7mA:
undetectable		 2x2iB-4o7mA:
15.37
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.
4ofl EXTRACYTOPLASMIC
NICKEL-BINDING
PROTEIN YPYNTA

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		5 PHE A 193
SER A 214
ASN A 217
GLY A 199
ALA A 196
 None
 1.42A 2x2iB-4oflA:
undetectable		 2x2iB-4oflA:
19.46
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.
4pev MEMBRANE LIPOPROTEIN
FAMILY PROTEIN

(Aeropyrum
pernix) 		PF02608
(Bmp) 		5 PHE A 276
SER A 303
ASN A 289
GLY A 261
ALA A 265
 None
 1.13A 2x2iB-4pevA:
undetectable		 2x2iB-4pevA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		5 THR A  19
VAL A  28
SER A  31
ASN A  10
GLY A  14
 None
 1.10A 2x2iB-4toqA:
undetectable		 2x2iB-4toqA:
13.69
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.
4xyi KINETOCHORE PROTEIN
MIS16

(Schizosaccharomyces
japonicus) 		PF00400
(WD40)
PF12265
(CAF1C_H4-bd) 		5 SER A 386
ASN A 327
GLY A 283
ALA A 285
GLN A 239
 None
 1.24A 2x2iB-4xyiA:
undetectable		 2x2iB-4xyiA:
17.60
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.
4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS

(Bacillus
subtilis) 		PF00067
(p450) 		5 PHE A 345
SER A 344
SER A 286
GLY A 362
ALA A 358
 PHE  A 345 (-1.3A)
SER  A 344 (-0.0A)
SER  A 286 ( 0.0A)
GLY  A 362 ( 0.0A)
ALA  A 358 (-0.0A)
 1.31A 2x2iB-4yzrA:
undetectable		 2x2iB-4yzrA:
16.75
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.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfohalobium
retbaense) 		PF13458
(Peripla_BP_6) 		5 VAL A  98
SER A 106
SER A 125
GLY A  74
ALA A  81
 None
 1.39A 2x2iB-5ereA:
undetectable		 2x2iB-5ereA:
19.26
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.
5f1n BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN

(Canis lupus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 SER A  92
SER A  13
GLY A 120
ALA B  27
GLN B  29
 None
 1.27A 2x2iB-5f1nA:
undetectable		 2x2iB-5f1nA:
14.84
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.
5f1n BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN

(Canis lupus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 VAL B 111
SER A  92
SER A  13
ALA B  27
GLN B  29
 None
 1.35A 2x2iB-5f1nB:
undetectable		 2x2iB-5f1nB:
7.71
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.
5feu NOROXOMARITIDINE/NOR
CRAUGSODINE
REDUCTASE

(Narcissus
pseudonarcissus) 		PF13561
(adh_short_C2) 		5 THR A 268
SER A 176
GLY A 206
ALA A 204
GLN A 166
 None
 1.44A 2x2iB-5feuA:
undetectable		 2x2iB-5feuA:
14.90
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.
5frt DIMERIC (2FE-2S)
PROTEIN

(Azotobacter
vinelandii) 		PF00111
(Fer2) 		5 VAL A 113
PHE A 115
SER A  49
GLY A  29
ALA A  31
 None
None
FES  A5000 ( 3.9A)
None
None
 1.48A 2x2iB-5frtA:
undetectable		 2x2iB-5frtA:
8.91
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.
5ir3 IG LAMBDA CHAIN V-VI
REGION AR

(Homo sapiens) 		PF07686
(V-set) 		5 PHE A  20
SER A  75
SER A  66
TRP A  36
GLY A 103
 None
 1.38A 2x2iB-5ir3A:
undetectable		 2x2iB-5ir3A:
8.04
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.
5l35 GENE 5 PROTEIN

(Shigella virus
Sf6) 		PF11651
(P22_CoatProtein) 		5 VAL A 311
PHE A 247
SER A 244
ASN A 131
ALA A 295
 None
 1.34A 2x2iB-5l35A:
undetectable		 2x2iB-5l35A:
16.65
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.
5ve2 ENOYL-COA HYDRATASE

(Pseudoalteromonas
atlantica) 		PF00378
(ECH_1) 		5 VAL A 184
SER A  15
SER A   8
ASN A  11
ALA A 191
 VAL  A 184 ( 0.6A)
SER  A  15 ( 0.0A)
SER  A   8 ( 0.0A)
ASN  A  11 ( 0.6A)
ALA  A 191 ( 0.0A)
 1.47A 2x2iB-5ve2A:
undetectable		 2x2iB-5ve2A:
12.41
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.
5zvs PUTATIVE CORE
PROTEIN NTPASE/VP5

(Aquareovirus C) 		no annotation 5 PHE 4  19
SER 4  13
TRP 4  14
GLY 4  43
ALA 4  41
 None
 1.18A 2x2iB-5zvs4:
undetectable		 2x2iB-5zvs4:
6.55