SIMILAR PATTERNS OF AMINO ACIDS FOR 5ZJI_A_PQNA844_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.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 350
GLY A 380
ARG A 382
ALA A 411
LEU A 383
 None
 1.24A 5zjiA-1bqgA:
undetectable
5zjiJ-1bqgA:
undetectable		 5zjiA-1bqgA:
11.37
5zjiJ-1bqgA:
8.70
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.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		5 SER B 176
GLY B 173
ILE B 248
ALA B 240
LEU B 239
 None
 1.31A 5zjiA-1ccwB:
undetectable
5zjiJ-1ccwB:
0.0		 5zjiA-1ccwB:
10.49
5zjiJ-1ccwB:
7.85
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.
1dpp DIPEPTIDE BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 PHE A  19
SER A  21
GLY A  22
ILE A 196
ALA A  27
 None
LEU  A1002 (-4.8A)
LEU  A1002 (-3.8A)
None
None
 1.06A 5zjiA-1dppA:
undetectable
5zjiJ-1dppA:
0.0		 5zjiA-1dppA:
9.88
5zjiJ-1dppA:
6.86
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.
1eww ANTIFREEZE PROTEIN

(Choristoneura
fumiferana) 		PF05264
(CfAFP) 		5 PHE A  87
SER A  55
GLY A  71
ILE A  68
ALA A  75
 None
 1.13A 5zjiA-1ewwA:
undetectable
5zjiJ-1ewwA:
undetectable		 5zjiA-1ewwA:
22.55
5zjiJ-1ewwA:
12.22
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.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		5 SER A  89
GLY A  88
ILE A 196
ALA A 134
LEU A 132
 None
 1.41A 5zjiA-1gjuA:
undetectable
5zjiJ-1gjuA:
0.0		 5zjiA-1gjuA:
8.03
5zjiJ-1gjuA:
6.88
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.
1j2r HYPOTHETICAL
ISOCHORISMATASE
FAMILY PROTEIN YECD

(Escherichia
coli) 		PF00857
(Isochorismatase) 		5 SER A  58
GLY A  59
ILE A 132
ALA A  21
LEU A  22
 None
 1.38A 5zjiA-1j2rA:
undetectable
5zjiJ-1j2rA:
0.0		 5zjiA-1j2rA:
18.59
5zjiJ-1j2rA:
13.07
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.
1jog HYPOTHETICAL PROTEIN
HI0074

(Haemophilus
influenzae) 		PF08780
(NTase_sub_bind) 		5 GLY A  94
TRP A  99
ILE A  83
ALA A  87
LEU A  92
 None
 1.26A 5zjiA-1jogA:
undetectable
5zjiJ-1jogA:
0.7		 5zjiA-1jogA:
18.44
5zjiJ-1jogA:
16.79
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.
1oro OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Escherichia
coli) 		PF00156
(Pribosyltran) 		5 GLY A 118
ILE A  62
ALA A 148
LEU A 147
PHE A  35
 None
 1.27A 5zjiA-1oroA:
undetectable
5zjiJ-1oroA:
0.0		 5zjiA-1oroA:
15.49
5zjiJ-1oroA:
11.79
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.
1rli TRP REPRESSOR
BINDING PROTEIN

(Bacillus
subtilis) 		PF03358
(FMN_red) 		5 SER A  12
GLY A  13
ILE A 118
ALA A  20
PHE A 106
 None
 1.18A 5zjiA-1rliA:
undetectable
5zjiJ-1rliA:
0.0		 5zjiA-1rliA:
19.78
5zjiJ-1rliA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE

(Thermus
thermophilus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 SER A   2
GLY A 165
ILE A  76
ALA A 134
PHE A 217
 None
 1.18A 5zjiA-1ub7A:
undetectable
5zjiJ-1ub7A:
undetectable		 5zjiA-1ub7A:
15.25
5zjiJ-1ub7A:
8.70
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.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		5 SER A 331
GLY A 164
ALA A 264
LEU A 267
PHE A 693
 None
 1.01A 5zjiA-1urjA:
undetectable
5zjiJ-1urjA:
undetectable		 5zjiA-1urjA:
5.89
5zjiJ-1urjA:
3.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wql ETHYLBENZENE
DIOXYGENASE SMALL
SUBUNIT
IRON-SULFUR PROTEIN
LARGE SUBUNIT OF
CUMENE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		5 PHE A 228
GLY A 276
ALA A 321
LEU A 333
PHE B  80
 OXY  A 503 ( 4.1A)
None
None
None
None
 1.39A 5zjiA-1wqlA:
undetectable
5zjiJ-1wqlA:
undetectable		 5zjiA-1wqlA:
9.80
5zjiJ-1wqlA:
7.03
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.
1xtp LMAJ004091AAA

(Leishmania
major) 		PF05891
(Methyltransf_PK) 		5 PHE A 180
SER A 228
GLY A 229
ARG A 231
LEU A 253
 None
 1.35A 5zjiA-1xtpA:
undetectable
5zjiJ-1xtpA:
undetectable		 5zjiA-1xtpA:
16.87
5zjiJ-1xtpA:
12.20
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.
1zgj ISOFLAVANONE
4'-O-METHYLTRANSFERA
SE'

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 PHE A 197
GLY A 199
ILE A 286
ALA A 260
LEU A 203
 None
 1.41A 5zjiA-1zgjA:
undetectable
5zjiJ-1zgjA:
undetectable		 5zjiA-1zgjA:
13.94
5zjiJ-1zgjA:
8.68
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.
2bkw ALANINE-GLYOXYLATE
AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00266
(Aminotran_5) 		5 SER A  17
GLY A  18
ALA A  23
LEU A  24
PHE A 235
 None
 1.17A 5zjiA-2bkwA:
undetectable
5zjiJ-2bkwA:
undetectable		 5zjiA-2bkwA:
13.25
5zjiJ-2bkwA:
8.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2daq WHSC1L1 PROTEIN,
ISOFORM LONG

(Homo sapiens) 		PF00855
(PWWP) 		5 PHE A  88
GLY A  55
ILE A  14
ALA A  95
LEU A  92
 None
 1.10A 5zjiA-2daqA:
undetectable
5zjiJ-2daqA:
undetectable		 5zjiA-2daqA:
19.49
5zjiJ-2daqA:
13.76
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 GLY A 166
ARG A 165
ALA A 163
LEU A 169
PHE A 122
 None
 1.38A 5zjiA-2eyqA:
undetectable
5zjiJ-2eyqA:
undetectable		 5zjiA-2eyqA:
5.83
5zjiJ-2eyqA:
3.39
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.
2f2b AQUAPORIN AQPM

(Methanothermobacter
marburgensis) 		PF00230
(MIP) 		5 SER A  91
GLY A  88
ILE A 159
ALA A 236
LEU A 235
 None
 1.26A 5zjiA-2f2bA:
undetectable
5zjiJ-2f2bA:
undetectable		 5zjiA-2f2bA:
12.60
5zjiJ-2f2bA:
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 SER A 141
GLY A 140
ALA A 183
LEU A 186
PHE A  50
 None
 1.00A 5zjiA-2hg4A:
undetectable
5zjiJ-2hg4A:
undetectable		 5zjiA-2hg4A:
6.44
5zjiJ-2hg4A:
3.98
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		5 SER A  30
ILE A 452
ALA A  23
LEU A 237
PHE A 353
 None
 1.45A 5zjiA-2ivdA:
undetectable
5zjiJ-2ivdA:
undetectable		 5zjiA-2ivdA:
10.29
5zjiJ-2ivdA:
8.56
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.
2kyl MICROTUBULE-ASSOCIAT
ED
SERINE/THREONINE-PRO
TEIN KINASE 2

(Homo sapiens) 		PF00595
(PDZ) 		5 PHE A  19
GLY A  47
ILE A   9
ALA A  52
LEU A  54
 None
 1.20A 5zjiA-2kylA:
undetectable
5zjiJ-2kylA:
undetectable		 5zjiA-2kylA:
18.10
5zjiJ-2kylA:
23.91
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.
2nz2 ARGININOSUCCINATE
SYNTHASE

(Homo sapiens) 		PF00764
(Arginosuc_synth) 		5 SER A 131
ARG A  95
ILE A  38
ALA A  94
PHE A 227
 None
 1.45A 5zjiA-2nz2A:
undetectable
5zjiJ-2nz2A:
undetectable		 5zjiA-2nz2A:
11.99
5zjiJ-2nz2A:
5.81
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.
2qyf MAD2L1-BINDING
PROTEIN

(Homo sapiens) 		PF06581
(p31comet) 		5 PHE B  60
GLY B 248
ARG B 249
ALA B 173
LEU B 172
 None
 1.24A 5zjiA-2qyfB:
undetectable
5zjiJ-2qyfB:
undetectable		 5zjiA-2qyfB:
17.27
5zjiJ-2qyfB:
11.34
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.
2vl7 XPD

(Sulfurisphaera
tokodaii) 		PF06733
(DEAD_2)
PF13307
(Helicase_C_2) 		5 MET A 396
PHE A 391
SER A 399
ILE A 371
LEU A 376
 None
 1.45A 5zjiA-2vl7A:
undetectable
5zjiJ-2vl7A:
undetectable		 5zjiA-2vl7A:
8.66
5zjiJ-2vl7A:
5.74
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.
2w40 GLYCEROL KINASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ARG A 468
ILE A 256
ALA A 255
LEU A 467
PHE A 224
 None
 1.39A 5zjiA-2w40A:
undetectable
5zjiJ-2w40A:
undetectable		 5zjiA-2w40A:
10.40
5zjiJ-2w40A:
7.31
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.
2w40 GLYCEROL KINASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 SER A 436
ARG A 468
ALA A 255
LEU A 467
PHE A 224
 None
 1.09A 5zjiA-2w40A:
undetectable
5zjiJ-2w40A:
undetectable		 5zjiA-2w40A:
10.40
5zjiJ-2w40A:
7.31
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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		5 PHE A 286
GLY A 291
ALA A 136
LEU A 139
PHE A 411
 None
 1.44A 5zjiA-2wsxA:
undetectable
5zjiJ-2wsxA:
undetectable		 5zjiA-2wsxA:
9.48
5zjiJ-2wsxA:
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.
2yev CAA3-TYPE CYTOCHROME
OXIDASE SUBUNIT IV
CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3)
no annotation 		5 PHE A 247
GLY A 638
ILE C  46
ALA C  50
PHE A 199
 None
 1.40A 5zjiA-2yevA:
1.4
5zjiJ-2yevA:
undetectable		 5zjiA-2yevA:
7.38
5zjiJ-2yevA:
5.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z61 PROBABLE ASPARTATE
AMINOTRANSFERASE 2

(Methanocaldococcus
jannaschii) 		PF00155
(Aminotran_1_2) 		5 SER A  54
GLY A  51
ILE A 231
ALA A 263
LEU A 264
 None
 1.14A 5zjiA-2z61A:
undetectable
5zjiJ-2z61A:
undetectable		 5zjiA-2z61A:
11.89
5zjiJ-2z61A:
9.19
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.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 PHE A 120
SER A 116
TRP A 119
ILE A  67
ALA A  95
 None
 1.47A 5zjiA-2z81A:
undetectable
5zjiJ-2z81A:
undetectable		 5zjiA-2z81A:
8.04
5zjiJ-2z81A:
6.44
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.
2zah COAT PROTEIN

(Melon necrotic
spot virus) 		PF00729
(Viral_coat) 		5 PHE A 232
GLY A 123
ILE A 306
ALA A 133
LEU A 134
 None
 1.17A 5zjiA-2zahA:
undetectable
5zjiJ-2zahA:
undetectable		 5zjiA-2zahA:
11.84
5zjiJ-2zahA:
8.61
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.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00421
(PSII) 		5 MET B 166
GLY B 160
ILE B 203
ALA B 155
PHE B 247
 None
None
None
None
CLA  B1010 ( 3.6A)
 1.42A 5zjiA-3a0hB:
3.0
5zjiJ-3a0hB:
undetectable		 5zjiA-3a0hB:
9.03
5zjiJ-3a0hB:
7.36
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.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		5 SER A 292
GLY A 293
ILE A  58
LEU A 264
PHE A 118
 None
 1.27A 5zjiA-3a3hA:
undetectable
5zjiJ-3a3hA:
undetectable		 5zjiA-3a3hA:
15.50
5zjiJ-3a3hA:
8.71
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.
3ay8 GLUTATHIONE
S-TRANSFERASE

(Bombyx mori) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 SER A  12
GLY A  13
ILE A  71
ALA A  18
LEU A  19
 None
 1.09A 5zjiA-3ay8A:
undetectable
5zjiJ-3ay8A:
undetectable		 5zjiA-3ay8A:
18.42
5zjiJ-3ay8A:
12.14
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.
3baz HYDROXYPHENYLPYRUVAT
E REDUCTASE

(Plectranthus
scutellarioides) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 SER A 174
GLY A 151
ILE A 170
ALA A 160
LEU A 157
 NAP  A 500 (-2.7A)
NAP  A 500 (-3.5A)
None
None
None
 1.15A 5zjiA-3bazA:
undetectable
5zjiJ-3bazA:
undetectable		 5zjiA-3bazA:
13.33
5zjiJ-3bazA:
8.41
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.
3d6c THERMONUCLEASE

(Staphylococcus
aureus) 		PF00565
(SNase) 		5 MET A  65
PHE A  61
GLY A  20
ALA A 109
LEU A 108
 None
 1.17A 5zjiA-3d6cA:
undetectable
5zjiJ-3d6cA:
undetectable		 5zjiA-3d6cA:
19.42
5zjiJ-3d6cA:
14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e38 TWO-DOMAIN PROTEIN
CONTAINING PREDICTED
PHP-LIKE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bacteroides
vulgatus) 		PF16392
(DUF5001) 		5 GLY A 105
ILE A 246
ALA A  70
LEU A  68
PHE A 349
 None
 1.38A 5zjiA-3e38A:
undetectable
5zjiJ-3e38A:
undetectable		 5zjiA-3e38A:
15.16
5zjiJ-3e38A:
11.81
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.
3e3x BIPA

(Vibrio
parahaemolyticus) 		PF00679
(EFG_C) 		5 MET A  33
PHE A  35
SER A 107
ILE A 309
LEU A 104
 None
None
MLY  A 314 ( 4.8A)
None
None
 1.20A 5zjiA-3e3xA:
undetectable
5zjiJ-3e3xA:
undetectable		 5zjiA-3e3xA:
14.20
5zjiJ-3e3xA:
10.25
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.
3eef N-CARBAMOYLSARCOSINE
AMIDASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00857
(Isochorismatase) 		5 SER A  41
GLY A  42
ILE A 110
ALA A   4
LEU A   5
 None
 1.20A 5zjiA-3eefA:
undetectable
5zjiJ-3eefA:
undetectable		 5zjiA-3eefA:
19.23
5zjiJ-3eefA:
11.25
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.
3l22 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 PHE A 348
ILE A 198
ALA A 148
LEU A 149
PHE A 429
 None
 1.04A 5zjiA-3l22A:
0.8
5zjiJ-3l22A:
undetectable		 5zjiA-3l22A:
15.20
5zjiJ-3l22A:
6.73
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.
3lao ENOYL-COA
HYDRATASE/ISOMERASE

(Pseudomonas
aeruginosa) 		PF00378
(ECH_1) 		5 PHE A  33
GLY A   9
ALA A  39
LEU A  38
PHE A 220
 None
 1.42A 5zjiA-3laoA:
undetectable
5zjiJ-3laoA:
undetectable		 5zjiA-3laoA:
17.14
5zjiJ-3laoA:
9.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mkt MULTI ANTIMICROBIAL
EXTRUSION PROTEIN
(NA(+)/DRUG
ANTIPORTER)
MATE-LIKE MDR EFFLUX
PUMP

(Vibrio cholerae) 		PF01554
(MatE) 		5 PHE A 395
GLY A 383
ARG A 382
ALA A 377
LEU A 440
 None
 1.45A 5zjiA-3mktA:
undetectable
5zjiJ-3mktA:
undetectable		 5zjiA-3mktA:
12.11
5zjiJ-3mktA:
9.47
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.
3my9 MUCONATE
CYCLOISOMERASE

(Azorhizobium
caulinodans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 122
GLY A 356
ILE A 342
ALA A 308
PHE A 220
 None
 0.97A 5zjiA-3my9A:
undetectable
5zjiJ-3my9A:
undetectable		 5zjiA-3my9A:
11.33
5zjiJ-3my9A:
7.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n2l OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Vibrio cholerae) 		PF00156
(Pribosyltran) 		5 GLY A 119
ILE A  63
ALA A 149
LEU A 148
PHE A  36
 None
 1.17A 5zjiA-3n2lA:
undetectable
5zjiJ-3n2lA:
undetectable		 5zjiA-3n2lA:
16.74
5zjiJ-3n2lA:
10.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntx CYTOPLASMIC
L-ASPARAGINASE I

(Yersinia pestis) 		PF00710
(Asparaginase) 		5 PHE A 150
SER A 148
ILE A   6
ALA A 139
LEU A 138
 None
 1.44A 5zjiA-3ntxA:
undetectable
5zjiJ-3ntxA:
undetectable		 5zjiA-3ntxA:
13.98
5zjiJ-3ntxA:
15.75
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.
3oox PUTATIVE 2OG-FE(II)
OXYGENASE FAMILY
PROTEIN

(Caulobacter
vibrioides) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 SER A 168
GLY A 166
ILE A 276
ALA A 297
LEU A 301
 None
 1.37A 5zjiA-3ooxA:
undetectable
5zjiJ-3ooxA:
undetectable		 5zjiA-3ooxA:
14.86
5zjiJ-3ooxA:
9.74
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.
3p5m ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 PHE A 121
GLY A 103
ILE A  84
ALA A 109
LEU A 108
 None
 1.44A 5zjiA-3p5mA:
undetectable
5zjiJ-3p5mA:
undetectable		 5zjiA-3p5mA:
12.75
5zjiJ-3p5mA:
10.48
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.
3pzu ENDOGLUCANASE

(Bacillus
subtilis) 		PF00150
(Cellulase) 		5 SER A 321
GLY A 322
ILE A  88
LEU A 293
PHE A 148
 None
 1.24A 5zjiA-3pzuA:
undetectable
5zjiJ-3pzuA:
undetectable		 5zjiA-3pzuA:
13.27
5zjiJ-3pzuA:
8.15
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.
3qyx ESX-1
SECRETION-ASSOCIATED
REGULATOR ESPR

(Mycobacterium
tuberculosis) 		no annotation 5 SER A  58
GLY A  59
ILE A  39
ALA A  64
LEU A  65
 None
 1.09A 5zjiA-3qyxA:
undetectable
5zjiJ-3qyxA:
undetectable		 5zjiA-3qyxA:
19.35
5zjiJ-3qyxA:
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.
3tka RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H

(Escherichia
coli) 		PF01795
(Methyltransf_5) 		5 SER A  38
GLY A  35
ARG A  34
ILE A  61
ALA A  60
 None
SAM  A 400 (-4.3A)
None
None
SAM  A 400 ( 4.3A)
 1.23A 5zjiA-3tkaA:
undetectable
5zjiJ-3tkaA:
undetectable		 5zjiA-3tkaA:
16.18
5zjiJ-3tkaA:
9.45
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 PHE A 127
GLY A  97
ILE A   3
ALA A 105
LEU A 106
 None
NDP  A1001 ( 3.8A)
None
None
None
 1.22A 5zjiA-3tq9A:
undetectable
5zjiJ-3tq9A:
undetectable		 5zjiA-3tq9A:
15.17
5zjiJ-3tq9A:
15.48
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.
3um9 HALOACID
DEHALOGENASE, TYPE
II

(Polaromonas sp.
JS666) 		PF13419
(HAD_2) 		5 PHE A 222
GLY A 111
ARG A 108
LEU A 107
PHE A 201
 None
 1.11A 5zjiA-3um9A:
undetectable
5zjiJ-3um9A:
undetectable		 5zjiA-3um9A:
13.51
5zjiJ-3um9A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wh7 BETA-GLUCOSIDASE

(metagenomes) 		PF00232
(Glyco_hydro_1) 		5 GLY A 259
ARG A 258
ALA A 256
LEU A 252
PHE A 397
 None
 1.33A 5zjiA-3wh7A:
undetectable
5zjiJ-3wh7A:
undetectable		 5zjiA-3wh7A:
10.79
5zjiJ-3wh7A:
7.45
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.
3zpj TON_1535

(Thermococcus
onnurineus) 		no annotation 5 GLY A 225
ILE A 218
ALA A 230
LEU A 231
PHE A 278
 None
 1.28A 5zjiA-3zpjA:
undetectable
5zjiJ-3zpjA:
undetectable		 5zjiA-3zpjA:
13.37
5zjiJ-3zpjA:
8.47
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.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 PHE A  19
GLY A  29
ILE A 219
LEU A   3
PHE A 154
 None
 1.36A 5zjiA-4b46A:
undetectable
5zjiJ-4b46A:
undetectable		 5zjiA-4b46A:
11.38
5zjiJ-4b46A:
8.35
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.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 GLY A  45
ARG A  46
TRP A  49
ILE A  67
ALA A  69
 XYP  A1004 ( 4.8A)
None
None
None
None
 1.43A 5zjiA-4c1tA:
undetectable
5zjiJ-4c1tA:
undetectable		 5zjiA-4c1tA:
13.88
5zjiJ-4c1tA:
8.36
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.
4ilr CRISPR-ASSOCIATED
ENDORIBONUCLEASE
CAS6 2

(Sulfolobus
solfataricus) 		PF10040
(CRISPR_Cas6) 		5 SER A 116
GLY A   8
ILE A   4
ALA A  86
PHE A 243
 None
 1.40A 5zjiA-4ilrA:
undetectable
5zjiJ-4ilrA:
undetectable		 5zjiA-4ilrA:
14.80
5zjiJ-4ilrA:
11.74
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.
4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT

(Desulfomicrobium
baculatum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 MET S  50
SER S  52
ALA S  59
LEU S  58
PHE S 149
 None
 1.43A 5zjiA-4ko2S:
undetectable
5zjiJ-4ko2S:
undetectable		 5zjiA-4ko2S:
12.95
5zjiJ-4ko2S:
9.93
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.
4kpt GLUTAMINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN
PROTEIN

(Lactococcus
lactis) 		PF00497
(SBP_bac_3) 		5 MET A 216
PHE A 105
GLY A  90
ALA A  79
LEU A  80
 None
None
None
None
PG4  A 303 ( 4.2A)
 1.45A 5zjiA-4kptA:
undetectable
5zjiJ-4kptA:
undetectable		 5zjiA-4kptA:
16.05
5zjiJ-4kptA:
11.45
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 PHE A 135
SER A 137
GLY A 318
ALA A 312
LEU A 309
 None
 1.42A 5zjiA-4lixA:
undetectable
5zjiJ-4lixA:
undetectable		 5zjiA-4lixA:
8.02
5zjiJ-4lixA:
5.17
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.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 SER A 104
GLY A 103
TRP A  99
ILE A 139
PHE A 312
 None
None
M72  A 402 (-4.5A)
M72  A 402 ( 4.6A)
HF2  A 404 (-4.4A)
 1.09A 5zjiA-4m73A:
undetectable
5zjiJ-4m73A:
undetectable		 5zjiA-4m73A:
12.73
5zjiJ-4m73A:
8.65
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.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis) 		PF00561
(Abhydrolase_1) 		5 SER A 122
ILE A 146
ALA A 142
LEU A 139
PHE A 346
 None
 1.39A 5zjiA-4meaA:
undetectable
5zjiJ-4meaA:
undetectable		 5zjiA-4meaA:
13.08
5zjiJ-4meaA:
8.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwa 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Bacillus
anthracis) 		PF04551
(GcpE) 		5 GLY D  53
ILE D 236
ALA D 249
LEU D 253
PHE D 197
 None
 1.44A 5zjiA-4mwaD:
undetectable
5zjiJ-4mwaD:
undetectable		 5zjiA-4mwaD:
14.07
5zjiJ-4mwaD:
9.13
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.
4olq ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Hyphomonas
neptunium) 		PF00378
(ECH_1) 		5 PHE A 169
GLY A 172
ILE A 105
ALA A 129
PHE A  70
 None
 1.43A 5zjiA-4olqA:
undetectable
5zjiJ-4olqA:
undetectable		 5zjiA-4olqA:
14.35
5zjiJ-4olqA:
9.93
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.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 PHE A 449
GLY A 170
ILE A 260
ALA A 274
LEU A 294
 None
 1.33A 5zjiA-4ovdA:
undetectable
5zjiJ-4ovdA:
undetectable		 5zjiA-4ovdA:
8.59
5zjiJ-4ovdA:
7.52
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.
4psw HISTONE
ACETYLTRANSFERASE
TYPE B SUBUNIT 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12265
(CAF1C_H4-bd) 		5 SER B  37
GLY B  62
ILE B 109
ALA B  76
LEU B  59
 None
 1.38A 5zjiA-4pswB:
undetectable
5zjiJ-4pswB:
undetectable		 5zjiA-4pswB:
12.63
5zjiJ-4pswB:
8.25
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.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Neisseria
meningitidis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 108
GLY A 109
ILE A 196
ALA A 195
LEU A 113
 None
 1.47A 5zjiA-4qavA:
undetectable
5zjiJ-4qavA:
undetectable		 5zjiA-4qavA:
12.44
5zjiJ-4qavA:
7.56
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.
4r2v CYSTEINE SYNTHETASE

(Helicobacter
pylori) 		PF00291
(PALP) 		5 GLY A 285
ILE A  32
ALA A 279
LEU A 282
PHE A 233
 None
 1.02A 5zjiA-4r2vA:
undetectable
5zjiJ-4r2vA:
undetectable		 5zjiA-4r2vA:
14.66
5zjiJ-4r2vA:
8.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		9 MET A 691
PHE A 692
SER A 695
GLY A 696
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 4.1A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.49A 5zjiA-4rkuA:
51.6
5zjiJ-4rkuA:
undetectable		 5zjiA-4rkuA:
98.04
5zjiJ-4rkuA:
5.65
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		8 MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.51A 5zjiA-4rkuB:
35.3
5zjiJ-4rkuB:
undetectable		 5zjiA-4rkuB:
6.88
5zjiJ-4rkuB:
5.34
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.
4rlq BENZOATE-COENZYME A
LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 154
GLY A 159
ILE A  58
ALA A  54
LEU A  51
 None
 1.27A 5zjiA-4rlqA:
undetectable
5zjiJ-4rlqA:
undetectable		 5zjiA-4rlqA:
11.27
5zjiJ-4rlqA:
6.67
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.
4uvj COHESIN SUBUNIT SCC3

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 770
GLY A 817
ARG A 818
ALA A 752
PHE A 709
 None
 1.33A 5zjiA-4uvjA:
undetectable
5zjiJ-4uvjA:
undetectable		 5zjiA-4uvjA:
11.40
5zjiJ-4uvjA:
9.45
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.
5a7d INSCUTEABLE
PINS

(Drosophila
melanogaster) 		PF13176
(TPR_7)
PF13424
(TPR_12)
no annotation 		5 SER B  40
GLY B  73
ILE L 334
ALA B  47
LEU B  46
 None
 1.47A 5zjiA-5a7dB:
3.2
5zjiJ-5a7dB:
undetectable		 5zjiA-5a7dB:
11.39
5zjiJ-5a7dB:
7.52
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 PHE A 158
GLY A 161
ILE A  39
ALA A  31
LEU A  30
 None
 1.23A 5zjiA-5by7A:
undetectable
5zjiJ-5by7A:
undetectable		 5zjiA-5by7A:
12.17
5zjiJ-5by7A:
8.45
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5
ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
8

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		5 GLY A 500
ILE A 574
ALA A 505
LEU A 506
PHE B 576
 None
 1.15A 5zjiA-5do7A:
undetectable
5zjiJ-5do7A:
undetectable		 5zjiA-5do7A:
8.72
5zjiJ-5do7A:
6.19
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.
5euf PROTEASE

(Helicobacter
pylori) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 MET A  71
PHE A 192
SER A  74
GLY A  75
TRP A 187
 None
 1.28A 5zjiA-5eufA:
undetectable
5zjiJ-5eufA:
undetectable		 5zjiA-5eufA:
10.24
5zjiJ-5eufA:
7.75
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.
5f1q PERIPLASMIC
DIPEPTIDE TRANSPORT
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		5 PHE A  47
SER A  49
GLY A  50
ILE A 224
ALA A  55
 None
GLN  A 609 (-4.9A)
GLN  A 608 ( 3.2A)
None
None
 1.02A 5zjiA-5f1qA:
undetectable
5zjiJ-5f1qA:
undetectable		 5zjiA-5f1qA:
9.74
5zjiJ-5f1qA:
7.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h29 THIOREDOXIN
REDUCTASE/GLUTATHION
E-RELATED PROTEIN

(Enterococcus
faecalis) 		no annotation 5 SER A 464
GLY A 463
ILE A 441
ALA A 458
LEU A 457
 None
 1.31A 5zjiA-5h29A:
undetectable
5zjiJ-5h29A:
undetectable		 5zjiA-5h29A:
21.65
5zjiJ-5h29A:
20.25
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.
5hfn CEPHALOSPORIN-C
DEACETYLASE

(Thermotoga
maritima) 		PF05448
(AXE1) 		5 PHE A 268
GLY A 187
ILE A 184
ALA A 194
LEU A 195
 None
 1.15A 5zjiA-5hfnA:
undetectable
5zjiJ-5hfnA:
undetectable		 5zjiA-5hfnA:
12.54
5zjiJ-5hfnA:
8.44
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.
5jd3 LAE5

(uncultured
bacterium) 		PF13472
(Lipase_GDSL_2) 		5 PHE A   3
SER A   7
GLY A   6
LEU A  46
PHE A 177
 None
 1.12A 5zjiA-5jd3A:
undetectable
5zjiJ-5jd3A:
undetectable		 5zjiA-5jd3A:
12.86
5zjiJ-5jd3A:
8.82
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.
5k1r BURKHOLDERIA
PSEUDOMALLEI
SPHINGOSINE-1-PHOSPH
ATE LYASE BPSS2021

(Burkholderia
pseudomallei) 		PF00282
(Pyridoxal_deC) 		5 GLY A 309
ARG A 290
ALA A 121
LEU A 282
PHE A 366
 None
 1.45A 5zjiA-5k1rA:
undetectable
5zjiJ-5k1rA:
undetectable		 5zjiA-5k1rA:
7.89
5zjiJ-5k1rA:
7.59
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.
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 PHE A 737
GLY A 740
ALA A 745
LEU A 746
PHE A 541
 None
 1.48A 5zjiA-5ltaA:
undetectable
5zjiJ-5ltaA:
undetectable		 5zjiA-5ltaA:
7.14
5zjiJ-5ltaA:
4.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 PHE A 767
SER A 800
GLY A 770
ARG A 819
LEU A 751
 None
 1.47A 5zjiA-5nn8A:
undetectable
5zjiJ-5nn8A:
undetectable		 5zjiA-5nn8A:
6.65
5zjiJ-5nn8A:
6.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 9 MET 1 684
PHE 1 685
SER 1 688
GLY 1 689
ARG 1 690
TRP 1 693
ILE 1 697
ALA 1 717
LEU 1 718
 CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
PQN  1 842 ( 4.3A)
None
PQN  1 842 ( 3.3A)
None
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
 0.30A 5zjiA-5oy01:
46.7
5zjiJ-5oy01:
undetectable		 5zjiA-5oy01:
64.94
5zjiJ-5oy01:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 8 MET b 659
PHE b 660
SER b 663
ARG b 665
TRP b 668
ILE b 672
ALA b 696
LEU b 697
 CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
None
PQN  b1844 ( 3.4A)
CLA  b1841 (-4.6A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
 0.56A 5zjiA-5oy0b:
34.5
5zjiJ-5oy0b:
undetectable		 5zjiA-5oy0b:
42.62
5zjiJ-5oy0b:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 SER A 453
GLY A 730
TRP A 739
ALA A 772
PHE A 259
 None
 1.40A 5zjiA-5u2gA:
undetectable
5zjiJ-5u2gA:
undetectable		 5zjiA-5u2gA:
7.17
5zjiJ-5u2gA:
4.53
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.
5u9c DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Yersinia
enterocolitica) 		PF04321
(RmlD_sub_bind) 		5 SER A 137
GLY A 134
ILE A  45
ALA A  83
LEU A  82
 None
 1.37A 5zjiA-5u9cA:
undetectable
5zjiJ-5u9cA:
undetectable		 5zjiA-5u9cA:
17.18
5zjiJ-5u9cA:
10.10
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.
5vbf NAD-DEPENDENT
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
vietnamiensis) 		PF00171
(Aldedh) 		5 SER A 155
GLY A 182
ILE A  95
ALA A 189
LEU A 193
 None
 1.08A 5zjiA-5vbfA:
undetectable
5zjiJ-5vbfA:
undetectable		 5zjiA-5vbfA:
9.55
5zjiJ-5vbfA:
7.89
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.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 5 PHE A 548
SER A 544
ALA A 575
LEU A 572
PHE A 459
 None
 1.47A 5zjiA-5vefA:
undetectable
5zjiJ-5vefA:
undetectable		 5zjiA-5vefA:
15.00
5zjiJ-5vefA:
13.30
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.
5w95 CONSERVED MEMBRANE
PROTEIN OF
UNCHARACTERISED
FUNCTION

(Mycobacterium
tuberculosis) 		no annotation 5 PHE A 253
ILE A 180
ALA A 181
LEU A 205
PHE A 278
 None
 1.48A 5zjiA-5w95A:
undetectable
5zjiJ-5w95A:
undetectable		 5zjiA-5w95A:
21.28
5zjiJ-5w95A:
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.
5wgg RADICAL SAM DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 SER A 289
GLY A 290
ARG A 294
LEU A 293
PHE A 322
 None
 1.37A 5zjiA-5wggA:
undetectable
5zjiJ-5wggA:
undetectable		 5zjiA-5wggA:
10.16
5zjiJ-5wggA:
7.13
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.
5wjc KINETOCHORE PROTEIN
MIS16

(Schizosaccharomyces
pombe) 		no annotation 5 SER A  53
GLY A  78
ILE A 122
ALA A  92
LEU A  75
 None
 1.31A 5zjiA-5wjcA:
undetectable
5zjiJ-5wjcA:
undetectable		 5zjiA-5wjcA:
24.72
5zjiJ-5wjcA:
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.
5x5y PROBABLE ATP-BINDING
COMPONENT OF ABC
TRANSPORTER

(Pseudomonas
aeruginosa) 		no annotation 5 PHE B 125
GLY B 120
ILE B 102
ALA B 153
LEU B 152
 None
 1.20A 5zjiA-5x5yB:
undetectable
5zjiJ-5x5yB:
undetectable		 5zjiA-5x5yB:
14.04
5zjiJ-5x5yB:
11.72
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.
6a8m -

(-) 		no annotation 5 MET A 369
PHE A 373
SER A 367
GLY A 366
PHE A 231
 None
 1.45A 5zjiA-6a8mA:
undetectable
5zjiJ-6a8mA:
undetectable		 5zjiA-6a8mA:
undetectable
5zjiJ-6a8mA:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 SER A 180
GLY A 427
ILE A 431
ALA A 369
LEU A 400
 None
 1.44A 5zjiA-6c62A:
undetectable
5zjiJ-6c62A:
undetectable		 5zjiA-6c62A:
22.22
5zjiJ-6c62A:
21.18
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.
6fg8 PROBABLE INACTIVE
RECEPTOR KINASE
AT1G27190
SOMATIC
EMBRYOGENESIS
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		no annotation 5 PHE A 195
SER A 173
ARG A 147
ILE B  75
LEU A 170
 None
 1.32A 5zjiA-6fg8A:
undetectable
5zjiJ-6fg8A:
undetectable		 5zjiA-6fg8A:
15.85
5zjiJ-6fg8A:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 8 MET A 681
PHE A 682
GLY A 686
ARG A 687
TRP A 690
ILE A 694
ALA A 714
LEU A 715
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.9A)
None
PQN  A2001 ( 3.2A)
None
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.57A 5zjiA-6fosA:
47.3
5zjiJ-6fosA:
undetectable		 5zjiA-6fosA:
78.87
5zjiJ-6fosA:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 7 MET A 681
SER A 685
GLY A 686
ARG A 687
TRP A 690
ILE A 694
ALA A 714
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.9A)
None
PQN  A2001 ( 3.2A)
None
PQN  A2001 (-3.2A)
 0.80A 5zjiA-6fosA:
47.3
5zjiJ-6fosA:
undetectable		 5zjiA-6fosA:
78.87
5zjiJ-6fosA:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 8 MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ILE B 673
ALA B 697
LEU B 698
 PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.82A 5zjiA-6fosB:
28.3
5zjiJ-6fosB:
undetectable		 5zjiA-6fosB:
50.00
5zjiJ-6fosB:
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.
6gne -

(-) 		no annotation 5 PHE A 441
GLY A 455
ILE A 407
ALA A 430
PHE A 272
 None
 1.17A 5zjiA-6gneA:
undetectable
5zjiJ-6gneA:
undetectable		 5zjiA-6gneA:
undetectable
5zjiJ-6gneA:
undetectable