SIMILAR PATTERNS OF AMINO ACIDS FOR 2PNC_A_CLUA808

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.
1a2v METHYLAMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 TYR A 305
ASP A 319
TYR A 407
HIS A 458
 TPQ  A 405 ( 4.7A)
TPQ  A 405 ( 4.7A)
None
CU  A   1 (-3.2A)
 0.40A 2pncA-1a2vA:
38.7		 2pncA-1a2vA:
24.87
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.
1f1u HOMOPROTOCATECHUATE
2,3-DIOXYGENASE

(Arthrobacter
globiformis) 		PF00903
(Glyoxalase) 		4 ALA A 253
TYR A 269
TYR A 257
HIS A 248
 None
 1.29A 2pncA-1f1uA:
undetectable		 2pncA-1f1uA:
19.11
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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 TYR A 274
ASP A 228
TYR A  50
HIS A 442
 None
 1.34A 2pncA-1iv8A:
undetectable		 2pncA-1iv8A:
20.68
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 TYR A 377
ASP A 328
TYR A 207
HIS A 423
 None
 1.45A 2pncA-1j0hA:
undetectable		 2pncA-1j0hA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ALA A 114
TYR A 116
ASP A 127
HIS A 101
 None
None
None
CU  A1052 (-3.2A)
 0.90A 2pncA-1kcwA:
undetectable		 2pncA-1kcwA:
19.47
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ALA A 114
TYR A 116
TYR A 107
HIS A 101
 None
None
None
CU  A1052 (-3.2A)
 1.37A 2pncA-1kcwA:
undetectable		 2pncA-1kcwA:
19.47
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.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		4 ALA A 165
TYR A 174
ASP A 128
TYR A   8
 None
 1.27A 2pncA-1narA:
undetectable		 2pncA-1narA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1og6 HYPOTHETICAL
OXIDOREDUCTASE YDHF

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		4 ALA A  52
TYR A  55
MET A 207
HIS A 128
 None
NAP  A1298 (-4.8A)
None
NAP  A1298 (-4.6A)
 0.96A 2pncA-1og6A:
undetectable		 2pncA-1og6A:
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.
1olp ALPHA-TOXIN

(Clostridium
sardiniense) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 ALA A  61
TYR A  62
ASP A  67
TYR A 127
 None
 1.29A 2pncA-1olpA:
undetectable		 2pncA-1olpA:
19.02
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		4 TYR A 369
TYR A 381
TYR A 468
HIS A 526
 TPQ  A 466 ( 4.4A)
TPQ  A 466 ( 4.1A)
TPQ  A 466 ( 3.8A)
CU  A 801 (-3.2A)
 0.57A 2pncA-1qafA:
37.6		 2pncA-1qafA:
24.73
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ALA A 315
TYR A 100
ASP A 103
HIS A 148
 None
 1.47A 2pncA-1sb3A:
undetectable		 2pncA-1sb3A:
23.07
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 TYR A  94
TYR A  65
MET A 109
TYR A 117
 None
 1.42A 2pncA-1u1hA:
undetectable		 2pncA-1u1hA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		6 ALA A 382
TYR A 384
TYR A 396
ASP A 398
TYR A 480
HIS A 530
 TPQ  A 478 ( 4.6A)
TPQ  A 478 ( 4.7A)
IMD  A 821 (-3.5A)
IMD  A 821 (-2.6A)
TPQ  A 478 ( 3.9A)
CU  A 801 (-3.2A)
 0.52A 2pncA-1w7cA:
39.9		 2pncA-1w7cA:
28.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		4 ALA A 222
TYR A 125
MET A 118
HIS A 247
 None
None
None
PGO  A 601 ( 4.7A)
 1.48A 2pncA-1womA:
undetectable		 2pncA-1womA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 TYR A  90
TYR A  64
MET A 102
TYR A 110
 None
 1.47A 2pncA-1xpgA:
undetectable		 2pncA-1xpgA:
21.23
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ALA A 185
TYR A 172
MET A  95
HIS A 220
 None
 1.18A 2pncA-1z1wA:
undetectable		 2pncA-1z1wA:
21.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		6 ALA A 370
TYR A 372
TYR A 384
ASP A 386
TYR A 473
HIS A 522
 PAQ  A 471 ( 3.2A)
None
PAQ  A 471 ( 3.6A)
PAQ  A 471 ( 2.6A)
PAQ  A 471 ( 4.5A)
CU  A1737 (-3.1A)
 0.32A 2pncA-2c11A:
55.2		 2pncA-2c11A:
81.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iw1 LIPOPOLYSACCHARIDE
CORE BIOSYNTHESIS
PROTEIN RFAG

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		4 ALA A 125
TYR A 121
TYR A 103
TYR A 155
 None
 1.07A 2pncA-2iw1A:
undetectable		 2pncA-2iw1A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k5d UNCHARACTERIZED
PROTEIN SAG0934

(Streptococcus
agalactiae) 		PF06125
(DUF961) 		4 ALA A  87
TYR A  91
TYR A  99
ASP A  84
 None
 1.47A 2pncA-2k5dA:
undetectable		 2pncA-2k5dA:
8.86
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 ALA A 149
TYR A 163
TYR A 141
MET A 219
 None
 1.32A 2pncA-2pwhA:
undetectable		 2pncA-2pwhA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyj DNA POLYMERASE

(Bacillus virus
phi29) 		PF03175
(DNA_pol_B_2) 		4 ALA A 394
TYR A 226
TYR A 390
MET A 258
 None
None
DGT  A1588 (-4.4A)
None
 1.47A 2pncA-2pyjA:
undetectable		 2pncA-2pyjA:
20.10
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.
2q14 PHOSPHOHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01966
(HD) 		4 ALA A  51
TYR A  48
MET A 217
HIS A  53
 None
 1.36A 2pncA-2q14A:
undetectable		 2pncA-2q14A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjp CYTOCHROME B

(Rhodobacter
sphaeroides) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 ALA A  27
TYR A  30
ASP A  31
HIS A  20
 None
 1.36A 2pncA-2qjpA:
undetectable		 2pncA-2qjpA:
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.
2qr4 PEPTIDASE M3B,
OLIGOENDOPEPTIDASE F

(Enterococcus
faecium) 		PF01432
(Peptidase_M3)
PF08439
(Peptidase_M3_N) 		4 ALA A 418
MET A 568
TYR A 555
HIS A 398
 None
 1.37A 2pncA-2qr4A:
undetectable		 2pncA-2qr4A:
22.46
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.
2vpj KELCH-LIKE PROTEIN
12

(Homo sapiens) 		PF01344
(Kelch_1) 		4 TYR A 332
TYR A 399
ASP A 400
HIS A 328
 None
 1.42A 2pncA-2vpjA:
undetectable		 2pncA-2vpjA:
18.44
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.
2vuv CODAKINE

(Codakia
orbicularis) 		PF00059
(Lectin_C) 		4 ALA A 120
TYR A 118
ASP A  58
HIS A 105
 None
None
GOL  A 400 (-3.0A)
None
 1.15A 2pncA-2vuvA:
undetectable		 2pncA-2vuvA:
12.26
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.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 ALA A 354
TYR A 353
TYR A 360
MET A 530
 None
 1.06A 2pncA-2vycA:
undetectable		 2pncA-2vycA:
21.17
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.
2yzs PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aquifex
aeolicus) 		PF01867
(Cas_Cas1) 		4 ALA A 187
TYR A  71
TYR A 186
HIS A  63
 None
 1.30A 2pncA-2yzsA:
undetectable		 2pncA-2yzsA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		4 TYR A 252
ASP A 202
TYR A  81
HIS A 314
 None
GLC  A 603 (-2.6A)
GLC  A 603 ( 4.0A)
GLC  A 603 (-4.0A)
 1.41A 2pncA-2z1kA:
undetectable		 2pncA-2z1kA:
23.27
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.
2z95 GDP-D-MANNOSE
DEHYDRATASE

(Aquifex
aeolicus) 		PF16363
(GDP_Man_Dehyd) 		4 ALA A 224
TYR A  18
TYR A 223
MET A 330
 None
 1.37A 2pncA-2z95A:
undetectable		 2pncA-2z95A:
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.
3brz TODX

(Pseudomonas
putida) 		PF03349
(Toluene_X) 		4 ALA A 279
TYR A 239
TYR A 303
ASP A 306
 None
 1.23A 2pncA-3brzA:
undetectable		 2pncA-3brzA:
19.89
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.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		4 ALA A 149
TYR A 162
ASP A 117
TYR A  10
 None
 1.46A 2pncA-3ebvA:
undetectable		 2pncA-3ebvA:
18.36
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.
3ga7 ACETYL ESTERASE

(Salmonella
enterica) 		PF07859
(Abhydrolase_3) 		4 ALA A 293
TYR A 195
MET A 301
HIS A 296
 None
SEP  A 165 ( 4.6A)
None
None
 1.39A 2pncA-3ga7A:
undetectable		 2pncA-3ga7A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Comamonas
testosteroni) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ALA A 274
TYR A 193
MET A 317
HIS A 321
 None
 1.25A 2pncA-3gzyA:
undetectable		 2pncA-3gzyA:
20.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		6 ALA A 357
TYR A 359
TYR A 371
ASP A 373
TYR A 463
HIS A 512
 TPQ  A 461 ( 4.9A)
None
BRN  A 901 (-3.3A)
BRN  A 901 (-3.3A)
TPQ  A 461 ( 4.5A)
CU  A 801 (-3.2A)
 0.68A 2pncA-3higA:
46.1		 2pncA-3higA:
40.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 TYR A 269
ASP A 222
TYR A  48
HIS A 440
 None
GOL  A 802 (-2.8A)
GOL  A 802 ( 4.3A)
None
 1.41A 2pncA-3hjeA:
undetectable		 2pncA-3hjeA:
20.41
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.
3ip3 OXIDOREDUCTASE,
PUTATIVE

(Thermotoga
maritima) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 TYR A  15
ASP A 246
TYR A 158
HIS A 183
 None
 1.37A 2pncA-3ip3A:
undetectable		 2pncA-3ip3A:
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.
3kq4 CUBILIN

(Homo sapiens) 		PF00431
(CUB) 		4 ALA B1031
TYR B1032
ASP B 988
HIS B 954
 None
None
CA  B2014 (-3.2A)
None
 1.46A 2pncA-3kq4B:
undetectable		 2pncA-3kq4B:
19.47
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.
3l0s ADENYLATE KINASE

(Desulfovibrio
gigas) 		PF00406
(ADK) 		4 ALA A 188
TYR A 202
TYR A 189
TYR A 177
 None
 1.18A 2pncA-3l0sA:
undetectable		 2pncA-3l0sA:
15.91
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.
3loy COPPER AMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid) 		4 TYR A 288
ASP A 302
TYR A 388
HIS A 438
 TPQ  A 386 ( 4.3A)
TPQ  A 386 ( 4.9A)
TPQ  A 386 ( 4.1A)
CU  A 635 (-3.2A)
 0.67A 2pncA-3loyA:
35.9		 2pncA-3loyA:
24.68
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.
3mvj CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		4 ALA A 233
TYR A 235
TYR A 229
HIS A 260
 None
 1.32A 2pncA-3mvjA:
undetectable		 2pncA-3mvjA:
18.21
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.
3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Paenibacillus
sp. Y412MC10) 		PF13378
(MR_MLE_C) 		4 ALA A  30
ASP A 338
TYR A 313
HIS A  39
 None
None
TAR  A 504 (-4.5A)
TAR  A 504 ( 4.6A)
 1.31A 2pncA-3opsA:
undetectable		 2pncA-3opsA:
18.40
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.
3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Paenibacillus
sp. Y412MC10) 		PF13378
(MR_MLE_C) 		4 ALA A 321
TYR A 317
TYR A 350
HIS A 324
 None
 1.23A 2pncA-3opsA:
undetectable		 2pncA-3opsA:
18.40
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		4 TYR B 752
TYR B 711
ASP B 509
TYR B 480
 None
 1.46A 2pncA-3opyB:
undetectable		 2pncA-3opyB:
21.30
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		6 ALA A 407
TYR A 409
TYR A 421
ASP A 423
TYR A 506
HIS A 554
 TPQ  A 504 ( 3.9A)
TPQ  A 504 ( 4.7A)
TPQ  A 504 ( 3.8A)
TPQ  A 504 ( 4.3A)
TPQ  A 504 ( 4.2A)
CU  A 901 (-3.2A)
 0.52A 2pncA-3pgbA:
38.2		 2pncA-3pgbA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rjz N-TYPE ATP
PYROPHOSPHATASE
SUPERFAMILY

(Pyrococcus
furiosus) 		PF01902
(Diphthami_syn_2) 		4 ALA A 181
TYR A 131
ASP A  16
HIS A 179
 None
 1.44A 2pncA-3rjzA:
undetectable		 2pncA-3rjzA:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 ALA A 273
TYR A 269
TYR A 295
HIS A 293
 None
 1.44A 2pncA-3rm5A:
undetectable		 2pncA-3rm5A:
21.72
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.
3wcz ALDO-KETO REDUCTASE
2E

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		4 ALA A  55
TYR A  58
MET A 204
HIS A 120
 None
CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
 1.06A 2pncA-3wczA:
undetectable		 2pncA-3wczA:
18.02
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.
3x3y PHENYLETHYLAMINE
OXIDASE

(Arthrobacter
globiformis) 		PF01179
(Cu_amine_oxid)
PF02728
(Cu_amine_oxidN3) 		5 TYR A 284
TYR A 296
ASP A 298
TYR A 384
HIS A 433
 None
TYQ  A 382 ( 4.8A)
None
TYQ  A 382 ( 4.2A)
CU  A 701 (-3.2A)
 0.87A 2pncA-3x3yA:
35.9		 2pncA-3x3yA:
24.94
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.
4bjm AVRM

(Melampsora lini) 		no annotation 4 ALA A 223
TYR A 219
TYR A 180
TYR A 243
 None
 1.29A 2pncA-4bjmA:
undetectable		 2pncA-4bjmA:
13.85
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.
4bug ANCILLARY PROTEIN 1

(Streptococcus
pyogenes) 		PF08341
(TED) 		4 ALA A 553
TYR A 552
ASP A 555
HIS A 481
 None
 1.45A 2pncA-4bugA:
undetectable		 2pncA-4bugA:
19.63
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		4 ALA B 172
TYR B 178
ASP A 232
TYR A 234
 None
 1.20A 2pncA-4cakB:
undetectable		 2pncA-4cakB:
20.69
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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		4 ALA B 217
TYR B  90
ASP B 214
TYR B 201
 None
 1.14A 2pncA-4dhiB:
undetectable		 2pncA-4dhiB:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eis POLYSACCHARIDE
MONOOXYGENASE-3

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		4 ALA B 158
TYR B 171
MET B 131
HIS B 160
 None
HIC  B   1 (-3.5A)
None
None
 1.31A 2pncA-4eisB:
undetectable		 2pncA-4eisB:
14.94
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.
4epa PESTICIN RECEPTOR

(Yersinia pestis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ALA A 359
TYR A 327
ASP A 383
TYR A 433
 None
 1.29A 2pncA-4epaA:
undetectable		 2pncA-4epaA:
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.
4f0j PROBABLE HYDROLYTIC
ENZYME

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		4 ALA A  79
TYR A  36
MET A 221
HIS A  73
 None
 1.48A 2pncA-4f0jA:
undetectable		 2pncA-4f0jA:
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.
4foz PORIN D

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 ALA A 264
TYR A 327
TYR A 320
HIS A 265
 None
 1.27A 2pncA-4fozA:
undetectable		 2pncA-4fozA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		4 ALA A 228
TYR A 272
TYR A 227
TYR A 213
 None
 1.35A 2pncA-4gm6A:
undetectable		 2pncA-4gm6A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ivi CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		4 ALA A 347
TYR A 348
ASP A 217
TYR A 210
 None
 1.28A 2pncA-4iviA:
undetectable		 2pncA-4iviA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 ASP A 272
MET A 296
TYR A 304
HIS A 260
 None
 1.40A 2pncA-4jcmA:
undetectable		 2pncA-4jcmA:
22.37
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.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		4 ALA A 121
TYR A 180
TYR A 124
HIS A  48
 None
 1.07A 2pncA-4jqsA:
undetectable		 2pncA-4jqsA:
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.
4kry ACETYL ESTERASE

(Escherichia
coli) 		PF07859
(Abhydrolase_3) 		4 ALA A 293
TYR A 195
MET A 301
HIS A 296
 None
SEB  A 165 ( 4.8A)
None
None
 1.37A 2pncA-4kryA:
undetectable		 2pncA-4kryA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mve UNCHARACTERIZED
PROTEIN

(Thermomonospora
curvata) 		PF14231
(GXWXG)
PF14232
(DUF4334) 		4 ALA A 130
TYR A  26
TYR A 141
HIS A 118
 None
 1.47A 2pncA-4mveA:
undetectable		 2pncA-4mveA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmj PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		4 ALA A  54
TYR A  57
MET A 193
HIS A 115
 None
None
None
NAP  A 301 (-4.4A)
 1.08A 2pncA-4pmjA:
undetectable		 2pncA-4pmjA:
16.76
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.
4qsg GAS VESICLE PROTEIN

(Microcystis
aeruginosa) 		PF06386
(GvpL_GvpF) 		4 ALA A  44
TYR A  49
TYR A   6
HIS A  45
 None
 1.33A 2pncA-4qsgA:
undetectable		 2pncA-4qsgA:
16.35
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.
4r9o PUTATIVE ALDO/KETO
REDUCTASE

(Salmonella
enterica) 		PF00248
(Aldo_ket_red) 		4 ALA A  52
TYR A  55
MET A 207
HIS A 128
 None
 1.04A 2pncA-4r9oA:
undetectable		 2pncA-4r9oA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		4 ALA A 280
TYR A 289
ASP A 243
TYR A 130
 ACT  A 403 ( 4.1A)
None
None
ACT  A 403 (-3.9A)
 1.48A 2pncA-4rl3A:
undetectable		 2pncA-4rl3A:
16.82
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.
4ru0 PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		4 TYR A 374
TYR A  57
TYR A 324
HIS A 298
 None
 1.41A 2pncA-4ru0A:
undetectable		 2pncA-4ru0A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4thi PROTEIN (THIAMINASE
I)

(Bacillus
subtilis) 		PF01547
(SBP_bac_1) 		4 TYR A 239
TYR A 270
ASP A  64
TYR A  16
 PYD  A 371 (-4.2A)
PYD  A 371 ( 3.7A)
None
None
 1.42A 2pncA-4thiA:
undetectable		 2pncA-4thiA:
19.39
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.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		4 ALA A 644
TYR A 660
TYR A 874
HIS A 677
 None
 1.45A 2pncA-4u7tA:
undetectable		 2pncA-4u7tA:
20.95
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.
4wb7 DNAJ HOMOLOG
SUBFAMILY B MEMBER
1,CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase)
PF00226
(DnaJ) 		4 ALA A 288
TYR A 290
TYR A 284
HIS A 315
 None
 1.29A 2pncA-4wb7A:
undetectable		 2pncA-4wb7A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		4 ALA A  18
TYR A 125
MET A  57
HIS A  22
 None
None
None
FE2  A 202 (-3.3A)
 1.11A 2pncA-4xpxA:
undetectable		 2pncA-4xpxA:
11.35
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.
4y9s EPOXIDE HYDROLASE

(Solanum
tuberosum) 		PF00561
(Abhydrolase_1) 		4 TYR A  46
TYR A 315
ASP A 316
HIS A 308
 None
 1.24A 2pncA-4y9sA:
undetectable		 2pncA-4y9sA:
19.44
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.
4yt9 PEPTIDYLARGININE
DEIMINASE

(Porphyromonas
gingivalis) 		PF04371
(PAD_porph) 		4 ALA A 277
TYR A 367
TYR A 189
ASP A 187
 None
 1.19A 2pncA-4yt9A:
undetectable		 2pncA-4yt9A:
20.35
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.
4z61 PHYTOSULFOKINE
RECEPTOR 1

(Daucus carota) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 ALA A 190
TYR A 165
ASP A 188
TYR A 210
 None
 1.27A 2pncA-4z61A:
undetectable		 2pncA-4z61A:
21.83
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.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ALA A 237
TYR A 196
ASP A 140
TYR A 223
 None
 1.48A 2pncA-4zo6A:
undetectable		 2pncA-4zo6A:
22.86
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.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ALA A 237
TYR A 196
MET A 138
TYR A 223
 None
 1.39A 2pncA-4zo6A:
undetectable		 2pncA-4zo6A:
22.86
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.
5c8c VP0
VP1

(Enterovirus A) 		PF00073
(Rhv)
PF02226
(Pico_P1A) 		4 TYR B 148
TYR B 199
ASP A 206
TYR A 222
 None
 1.45A 2pncA-5c8cB:
undetectable		 2pncA-5c8cB:
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 TYR A 167
MET A 116
TYR A 134
HIS A 328
 None
 1.11A 2pncA-5dmyA:
undetectable		 2pncA-5dmyA:
22.69
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.
5et1 ESPIN
MYOSIN-IIIB

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5)
no annotation 		4 ALA A 105
ASP C1264
TYR C1268
HIS A  75
 None
 1.38A 2pncA-5et1A:
undetectable		 2pncA-5et1A:
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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		4 ALA A 340
TYR A 404
TYR A 372
TYR A 315
 None
 1.22A 2pncA-5ffjA:
undetectable		 2pncA-5ffjA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gam PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08082
(PRO8NT)
PF08083
(PROCN) 		4 ALA A 164
TYR A 167
TYR A 556
HIS A 194
 None
 1.34A 2pncA-5gamA:
undetectable		 2pncA-5gamA:
20.48
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.
5gs2 ANTI-MBP
ANTI-REPEBODY

(Homo sapiens;
Mus musculus) 		PF07686
(V-set) 		4 ALA D 107
TYR D 105
TYR H 181
TYR H 168
 None
 1.19A 2pncA-5gs2D:
undetectable		 2pncA-5gs2D:
15.17
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.
5k0y EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT G
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT I

(Homo sapiens;
Oryctolagus
cuniculus) 		PF00400
(WD40)
PF12353
(eIF3g) 		4 ALA T 267
TYR T 300
MET M 128
HIS T 284
 None
 1.39A 2pncA-5k0yT:
undetectable		 2pncA-5k0yT:
17.89
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.
5k59 UNCHARACTERIZED
LEUKOCIDIN-LIKE
PROTEIN 1

(Staphylococcus
aureus) 		no annotation 4 ALA B 103
TYR B 115
TYR B 117
ASP B 101
 None
 1.40A 2pncA-5k59B:
undetectable		 2pncA-5k59B:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN6

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 ALA Q 258
TYR Q 291
TYR Q 255
HIS Q 247
 None
 1.46A 2pncA-5mpdQ:
undetectable		 2pncA-5mpdQ:
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 ALA A 114
TYR A 116
ASP A 127
HIS A 101
 None
None
CA  A1106 (-2.6A)
CU  A1105 (-3.1A)
 0.91A 2pncA-5n4lA:
undetectable		 2pncA-5n4lA:
6.35
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.
5ogs WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1

(Homo sapiens) 		no annotation 4 ALA A 465
TYR A 458
ASP A 463
HIS A 480
 None
 1.32A 2pncA-5ogsA:
undetectable		 2pncA-5ogsA:
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 TYR A 346
ASP A 384
TYR A 386
HIS A 315
 None
 1.39A 2pncA-5ot1A:
undetectable		 2pncA-5ot1A:
7.01
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.
5xau LAMININ SUBUNIT
ALPHA-5

(Homo sapiens) 		PF02210
(Laminin_G_2)
PF06009
(Laminin_II) 		4 ALA A3205
TYR A3207
TYR A3216
ASP A3219
 None
None
None
CA  A3401 (-3.9A)
 1.19A 2pncA-5xauA:
undetectable		 2pncA-5xauA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y70 KINETOPLASTID
MEMBRANE PROTEIN 11

(Trypanosoma
brucei) 		no annotation 4 ALA A   9
ASP A  13
MET A  54
HIS A  47
 None
 1.43A 2pncA-5y70A:
undetectable		 2pncA-5y70A:
8.14
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 4 TYR A 171
MET A 120
TYR A 138
HIS A 325
 None
 1.19A 2pncA-6b6lA:
undetectable		 2pncA-6b6lA:
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.
6bc5 AAC 3-VI PROTEIN

(Enterobacter
cloacae) 		no annotation 4 ALA A 158
ASP A 136
MET A 207
TYR A 205
 None
 1.38A 2pncA-6bc5A:
undetectable		 2pncA-6bc5A:
7.79
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.
6bc5 AAC 3-VI PROTEIN

(Enterobacter
cloacae) 		no annotation 4 ALA A 158
TYR A 159
TYR A 205
HIS A 134
 None
 1.35A 2pncA-6bc5A:
undetectable		 2pncA-6bc5A:
7.79
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.
6byi BETA-MANNOSIDASE

(Xanthomonas
citri) 		no annotation 4 ALA A 694
TYR A 666
TYR A 698
HIS A 691
 None
 1.02A 2pncA-6byiA:
undetectable		 2pncA-6byiA:
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.
6ch0 -

(-) 		no annotation 4 ALA C 199
TYR C 239
TYR C 158
HIS C 120
 None
None
None
CO  C 302 ( 3.1A)
 1.45A 2pncA-6ch0C:
undetectable		 2pncA-6ch0C:
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.
6cia ALDO/KETO REDUCTASE

(Klebsiella
pneumoniae) 		no annotation 4 ALA A  52
TYR A  55
MET A 191
HIS A 113
 None
NDP  A 301 (-4.6A)
None
NDP  A 301 (-4.3A)
 1.03A 2pncA-6ciaA:
undetectable		 2pncA-6ciaA:
7.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dk2 -

(-) 		no annotation 4 ALA A 492
TYR A 139
TYR A  50
HIS A  59
 None
 0.99A 2pncA-6dk2A:
undetectable		 2pncA-6dk2A:
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ALA A 331
TYR A 329
TYR A 383
ASP A 333
 None
 1.36A 2pncA-6f8zA:
undetectable		 2pncA-6f8zA:
7.93