SIMILAR PATTERNS OF AMINO ACIDS FOR 4R29_A_SAMA301_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		5 ALA A 381
SER A 380
GLY A 376
ALA A 242
GLY A 216
 None
None
ADP  A 421 (-4.0A)
ADP  A 421 ( 4.4A)
None
 1.18A 4r29A-13pkA:
0.0		 4r29A-13pkA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 ALA A 192
ARG A  78
GLY A 253
GLY A 329
PHE A 184
 None
 1.12A 4r29A-1ex0A:
0.0		 4r29A-1ex0A:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 SER A 150
ALA A 118
GLY A 109
PHE A 110
TYR A 139
 None
 1.23A 4r29A-1fuiA:
undetectable		 4r29A-1fuiA:
17.68
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.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ARG A 461
ALA A 398
SER A 469
MET A 463
GLY A 464
 None
 1.26A 4r29A-1kblA:
0.0		 4r29A-1kblA:
14.07
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		5 ALA A 307
GLY A 270
GLN A 269
ALA A 240
GLY A 266
 None
None
GOL  A 530 (-3.8A)
None
None
 1.18A 4r29A-1kfwA:
0.0		 4r29A-1kfwA:
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ALA H  99
GLY H  92
ALA H  84
GLY H 127
TYR H 123
 None
 1.30A 4r29A-1q5rH:
undetectable		 4r29A-1q5rH:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida;
Pseudomonas
putida) 		PF00676
(E1_dh)
PF12573
(OxoDH_E1alpha_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 224
GLY B  64
ALA A 197
MET B  72
GLY B  71
 None
 1.19A 4r29A-1qs0A:
0.0		 4r29A-1qs0A:
16.71
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 228
GLY A 218
ALA A 238
GLY A 211
TYR A 209
 None
 1.09A 4r29A-1v7vA:
0.0		 4r29A-1v7vA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vap PHOSPHOLIPASE A2

(Agkistrodon
piscivorus) 		PF00068
(Phospholip_A2_1) 		5 GLY A  34
GLN A  33
ALA A  23
GLY A  25
TYR A 111
 None
 1.27A 4r29A-1vapA:
undetectable		 4r29A-1vapA:
15.35
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus;
Thermus
thermophilus) 		PF02347
(GDC-P)
PF02347
(GDC-P) 		5 ALA B 205
GLY B 153
ALA A 173
GLY B 177
TYR B 178
 None
 1.12A 4r29A-1wytB:
undetectable		 4r29A-1wytB:
18.99
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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ALA A 634
GLY A 672
ALA A 264
GLY A 251
PHE A 636
 None
 1.20A 4r29A-1xkhA:
undetectable		 4r29A-1xkhA:
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.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 ALA A 114
SER A 115
GLY A  22
PHE A  21
TYR A 189
 None
 1.21A 4r29A-1yx2A:
undetectable		 4r29A-1yx2A:
19.07
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.
2aw5 NADP-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ALA A 413
SER A 407
GLY A 378
GLN A 300
PHE A 386
 None
 1.32A 4r29A-2aw5A:
undetectable		 4r29A-2aw5A:
14.60
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.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		5 ALA A 208
GLY A 204
ALA A 240
GLY A 243
PHE A 205
 None
 1.13A 4r29A-2bfeA:
undetectable		 4r29A-2bfeA:
23.03
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.
2c2g THREONINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 ARG A 138
SER A 396
GLN A 393
GLY A 140
PHE A 139
 None
 1.26A 4r29A-2c2gA:
undetectable		 4r29A-2c2gA:
17.11
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 SER A 159
ARG A  68
GLY A  54
GLY A 100
TYR A 121
 None
None
CA  A1778 ( 4.8A)
None
None
 1.22A 4r29A-2cn3A:
undetectable		 4r29A-2cn3A:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dna UNNAMED PROTEIN
PRODUCT

(Mus musculus) 		PF00627
(UBA) 		5 ALA A  36
ALA A  28
MET A  29
GLY A  30
PHE A  31
 None
 1.14A 4r29A-2dnaA:
undetectable		 4r29A-2dnaA:
17.37
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ALA X 346
GLY X 340
GLN X 339
GLY X 353
TYR X 356
 None
 1.26A 4r29A-2iv2X:
undetectable		 4r29A-2iv2X:
15.74
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		5 ALA A 634
GLY A 672
ALA A 264
GLY A 251
PHE A 636
 None
 1.21A 4r29A-2o5pA:
undetectable		 4r29A-2o5pA:
14.51
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.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 5 ARG A 192
GLY A 177
ALA A 238
PHE A 176
TYR A 181
 None
 1.17A 4r29A-2p4oA:
undetectable		 4r29A-2p4oA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pjr PROTEIN (HELICASE
PCRA)
PROTEIN (HELICASE
PCRA)

(Geobacillus
stearothermophilus;
Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C)
PF13361
(UvrD_C) 		5 ALA B 620
SER B 619
ARG B 623
GLY B 579
MET A 367
 None
 1.16A 4r29A-2pjrB:
undetectable		 4r29A-2pjrB:
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.
2q7f YRRB PROTEIN

(Bacillus
subtilis) 		PF07719
(TPR_2)
PF12895
(ANAPC3)
PF13181
(TPR_8)
PF13414
(TPR_11) 		5 ALA A 145
GLN A 150
ALA A 179
GLY A 167
PHE A 166
 None
 1.15A 4r29A-2q7fA:
undetectable		 4r29A-2q7fA:
21.86
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.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE

(Porphyromonas
gingivalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 GLY A  12
ALA A  98
GLY A  96
PHE A  11
TYR A  91
 SO4  A 318 ( 3.3A)
None
None
None
None
 1.27A 4r29A-2qytA:
undetectable		 4r29A-2qytA:
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.
2r5v PCZA361.1

(Amycolatopsis
orientalis) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 ALA A 134
SER A 133
GLY A 131
ALA A  79
TYR A   8
 None
 1.15A 4r29A-2r5vA:
undetectable		 4r29A-2r5vA:
19.55
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.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ARG A 488
ALA A 425
SER A 496
MET A 490
GLY A 491
 None
 1.26A 4r29A-2x0sA:
undetectable		 4r29A-2x0sA:
13.52
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.
3efm FERRIC ALCALIGIN
SIDEROPHORE RECEPTOR

(Bordetella
pertussis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ALA A 483
GLY A 520
ALA A 148
GLY A 135
PHE A 485
 None
 1.18A 4r29A-3efmA:
undetectable		 4r29A-3efmA:
15.74
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		5 ALA A 466
SER A 465
GLY A 462
ALA A 227
GLY A 223
 MAN  A 600 (-4.9A)
None
None
None
None
 1.18A 4r29A-3eqaA:
undetectable		 4r29A-3eqaA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 SER A 116
ALA A 109
MET A 110
GLY A 111
PHE A 112
 None
None
None
None
ANP  A 480 (-3.5A)
 1.25A 4r29A-3fhtA:
undetectable		 4r29A-3fhtA:
20.53
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 311
SER A 310
GLY A 267
GLN A 103
ALA A 359
 None
None
NA  A 500 (-3.8A)
None
None
 1.29A 4r29A-3g25A:
undetectable		 4r29A-3g25A:
18.67
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 ALA A 221
GLY A 191
ALA A 162
MET A 163
GLY A 164
 None
SAH  A 350 (-3.6A)
MQA  A 351 (-3.7A)
SAH  A 350 ( 3.7A)
None
 1.22A 4r29A-3gxoA:
undetectable		 4r29A-3gxoA:
19.10
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.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 ALA A 192
GLY A 188
ALA A 284
GLY A 261
TYR A 235
 None
 1.19A 4r29A-3hutA:
undetectable		 4r29A-3hutA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 ALA A 465
GLY A 249
ALA A 233
GLY A 235
PHE A 248
 None
 1.28A 4r29A-3i5gA:
undetectable		 4r29A-3i5gA:
13.53
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.
3ihu TRANSCRIPTIONAL
REGULATOR, GNTR
FAMILY

(Cupriavidus
pinatubonensis) 		PF00392
(GntR)
PF07729
(FCD) 		5 ALA A  58
GLY A  23
ALA A  46
GLY A  49
PHE A  48
 None
 1.07A 4r29A-3ihuA:
undetectable		 4r29A-3ihuA:
21.99
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 ALA W 498
SER W 499
ARG W1175
GLN W1162
GLY W1214
 None
 1.19A 4r29A-3iylW:
undetectable		 4r29A-3iylW:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j2u KINESIN-LIKE PROTEIN
KLP10A

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 ARG K 409
GLY K 359
ALA K 412
MET K 413
TYR K 410
 None
 1.26A 4r29A-3j2uK:
undetectable		 4r29A-3j2uK:
19.21
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 SER X 615
GLY X 352
ALA X 417
GLY X 395
TYR X 397
 None
 1.30A 4r29A-3kvnX:
undetectable		 4r29A-3kvnX:
14.87
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.
3lca PROTEIN TOM71

(Saccharomyces
cerevisiae) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF14559
(TPR_19) 		5 ALA A 438
GLY A 419
GLN A 420
ALA A 453
PHE A 435
 None
None
GOL  A   1 (-3.2A)
None
None
 1.04A 4r29A-3lcaA:
undetectable		 4r29A-3lcaA:
19.10
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.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 ALA A  79
GLY A  73
GLN A  72
ALA A  64
GLY A  66
 BOG  A   1 ( 4.1A)
None
None
None
None
 0.93A 4r29A-3mpnA:
undetectable		 4r29A-3mpnA:
18.31
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		5 SER A 103
GLY A 145
GLN A 149
ALA A 174
GLY A 178
 CL  A 467 (-2.7A)
CL  A 467 ( 4.8A)
None
None
None
 1.29A 4r29A-3nd0A:
undetectable		 4r29A-3nd0A:
17.03
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.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 ALA A  10
GLY A  59
ALA A  40
MET A  41
GLY A  42
 None
 1.04A 4r29A-3ndaA:
undetectable		 4r29A-3ndaA:
21.13
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.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  54
SER A  51
GLY A  50
GLY A 103
PHE A 105
 None
 1.28A 4r29A-3nzgA:
undetectable		 4r29A-3nzgA:
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.
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ALA A 132
GLY A 120
ALA A 449
GLY A 117
TYR A 136
 None
 0.90A 4r29A-3o5aA:
undetectable		 4r29A-3o5aA:
14.15
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.
3p7m MALATE DEHYDROGENASE

(Francisella
tularensis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 151
SER A 150
GLY A 146
ALA A 243
GLY A 239
 None
 0.99A 4r29A-3p7mA:
undetectable		 4r29A-3p7mA:
22.29
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.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 ARG A 106
ALA A  75
SER A  63
GLY A  61
GLN A  52
 None
 1.20A 4r29A-3q9oA:
undetectable		 4r29A-3q9oA:
15.94
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.
3qpd CUTINASE 1

(Aspergillus
oryzae) 		PF01083
(Cutinase) 		5 ALA A 204
SER A 205
ALA A  47
GLY A 124
TYR A 125
 None
None
SEP  A 126 ( 3.9A)
None
SEP  A 126 ( 4.4A)
 1.30A 4r29A-3qpdA:
undetectable		 4r29A-3qpdA:
22.27
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.
3rfy PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP38, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00160
(Pro_isomerase) 		5 GLY A 220
ALA A 239
GLY A 237
PHE A 221
TYR A 265
 None
 1.20A 4r29A-3rfyA:
undetectable		 4r29A-3rfyA:
21.14
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 403
SER A 399
GLY A 398
ALA A 380
GLY A 382
 None
 1.20A 4r29A-3rimA:
undetectable		 4r29A-3rimA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tx1 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Listeria
monocytogenes) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ARG A 170
SER A 220
GLY A 219
GLN A 211
ALA A 119
 GOL  A 301 (-4.3A)
SO4  A 303 ( 3.5A)
FAD  A 299 (-3.3A)
FAD  A 299 ( 4.5A)
None
 1.28A 4r29A-3tx1A:
undetectable		 4r29A-3tx1A:
21.65
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		5 ALA A 387
GLY A 385
ALA A  78
MET A 374
TYR A 376
 None
 1.28A 4r29A-3u7vA:
undetectable		 4r29A-3u7vA:
16.63
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ALA A 189
GLY A 347
ALA A 236
GLY A 239
PHE A 240
 None
 1.19A 4r29A-3uw2A:
undetectable		 4r29A-3uw2A:
17.49
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ALA A 108
GLY A 103
ALA A 132
MET A 133
GLY A 134
 None
 1.14A 4r29A-3zh4A:
undetectable		 4r29A-3zh4A:
21.14
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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus) 		PF00144
(Beta-lactamase) 		5 SER A 316
GLY A 315
ALA A 255
GLY A 330
PHE A 331
 None
 1.28A 4r29A-3zytA:
undetectable		 4r29A-3zytA:
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.
4a0s OCTENOYL-COA
REDUCTASE/CARBOXYLAS
E

(Streptomyces
cinnabarigriseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 260
SER A 230
GLY A 407
GLN A 405
GLY A 441
 None
NAP  A1447 (-3.6A)
None
NAP  A1447 (-3.5A)
None
 1.06A 4r29A-4a0sA:
undetectable		 4r29A-4a0sA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d8u D-CYSTEINE
DESULFHYDRASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A  60
ALA A 163
MET A 167
GLY A 165
PHE A  57
 None
 1.04A 4r29A-4d8uA:
undetectable		 4r29A-4d8uA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 SER A 437
GLN A 434
ALA A  78
MET A  75
PHE A  71
 FDA  A 502 (-3.1A)
FDA  A 502 (-4.0A)
None
None
None
 1.28A 4r29A-4dshA:
undetectable		 4r29A-4dshA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		5 ARG A  65
GLY A  70
GLN A 134
ALA A  99
GLY A  74
 None
 1.11A 4r29A-4eb0A:
undetectable		 4r29A-4eb0A:
21.67
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.
4fsp PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ARG A 230
SER A 253
GLY A 267
GLN A 305
ALA A 297
 None
 1.16A 4r29A-4fspA:
undetectable		 4r29A-4fspA:
16.63
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.
4fsp PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ARG A 366
ARG A  14
MET A  18
PHE A  16
TYR A 384
 None
 1.29A 4r29A-4fspA:
undetectable		 4r29A-4fspA:
16.63
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.
4iiv 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 ARG A   3
ARG A 134
GLY A 229
GLY A 132
TYR A  82
 None
 1.30A 4r29A-4iivA:
undetectable		 4r29A-4iivA:
22.26
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.
4ix1 HYPOTHETICAL PROTEIN

(Rhodococcus
opacus) 		no annotation 5 ALA A 234
SER A 118
GLY A 116
ALA A 210
GLY A 208
 None
 1.09A 4r29A-4ix1A:
undetectable		 4r29A-4ix1A:
22.39
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 5 ALA D 466
GLY D 524
ALA D 389
GLY D 391
TYR D 403
 None
 1.29A 4r29A-4jf7D:
undetectable		 4r29A-4jf7D:
18.25
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ARG A 296
GLY A 316
GLN A 317
GLY A 293
PHE A 294
 SO4  A 511 (-2.2A)
SO4  A 511 (-3.0A)
SO4  A 511 (-4.0A)
None
SO4  A 511 (-3.5A)
 1.11A 4r29A-4jq9A:
undetectable		 4r29A-4jq9A:
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.
4mou ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Paenarthrobacter
aurescens) 		PF00378
(ECH_1) 		5 ALA A 145
GLY A 175
ALA A  72
MET A 119
GLY A 120
 None
 1.05A 4r29A-4mouA:
undetectable		 4r29A-4mouA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6b EST-Y29

(metagenome) 		PF00144
(Beta-lactamase) 		5 ARG A 326
GLY A 341
ALA A 335
GLY A 318
TYR A 319
 None
 1.23A 4r29A-4p6bA:
undetectable		 4r29A-4p6bA:
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.
4pl7 ACTIN,THYMOSIN
BETA-4

(Homo sapiens;
Komagataella
phaffii) 		PF00022
(Actin)
PF01290
(Thymosin) 		5 ALA A 181
GLY A 302
MET A  16
GLY A  15
TYR A  69
 None
ATP  A 501 (-3.4A)
None
ATP  A 501 (-3.7A)
None
 1.29A 4r29A-4pl7A:
undetectable		 4r29A-4pl7A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 SER A 364
GLY A 413
ALA A 551
GLY A 289
TYR A 546
 None
 1.09A 4r29A-4qi6A:
undetectable		 4r29A-4qi6A:
12.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ALA A 165
SER A 164
ARG A 143
GLY A 163
ALA A 191
 None
 1.31A 4r29A-4qn3A:
undetectable		 4r29A-4qn3A:
19.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 12 ARG A  89
ALA A  92
SER A  98
ARG A 107
GLY A 110
GLN A 111
ALA A 195
MET A 198
GLY A 199
PHE A 202
TYR A 204
TYR A 212
 GOL  A 302 ( 3.3A)
SAM  A 301 (-3.7A)
SAM  A 301 (-2.6A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.3A)
GOL  A 302 ( 4.0A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.7A)
 0.00A 4r29A-4r29A:
35.3		 4r29A-4r29A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s12 N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Yersinia
enterocolitica) 		PF01380
(SIS) 		5 ALA A 140
SER A 197
GLY A 198
ALA A 109
GLY A  71
 SO4  A 301 (-3.4A)
None
None
None
None
 1.18A 4r29A-4s12A:
undetectable		 4r29A-4s12A:
20.50
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 SER A 125
GLY A 250
ALA A 245
GLY A 237
TYR A 246
 None
 1.25A 4r29A-4sliA:
undetectable		 4r29A-4sliA:
16.57
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.
4u83 ACYL-COA
DEHYDROGENASE

(Brucella
abortus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 SER A 157
GLY A 161
ALA A 113
MET A 112
GLY A 115
 None
 1.17A 4r29A-4u83A:
2.9		 4r29A-4u83A:
19.10
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.
4wyr ACETYL-COA
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 295
SER A 280
GLY A 282
GLN A 383
GLY A 289
 None
 1.30A 4r29A-4wyrA:
undetectable		 4r29A-4wyrA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 334
SER A 164
GLY A 186
MET A   9
GLY A  10
 None
 1.29A 4r29A-4xoxA:
undetectable		 4r29A-4xoxA:
20.34
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.
4yah D-METHIONINE-BINDING
LIPOPROTEIN METQ

(Escherichia
coli) 		PF03180
(Lipoprotein_9) 		5 ALA X 206
SER X 207
GLY X 210
GLY X 217
TYR X 117
 None
 1.29A 4r29A-4yahX:
1.6		 4r29A-4yahX:
23.08
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.
4z3y BENZOYL-COA
REDUCTASE, PUTATIVE

(Geobacter
metallireducens) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 ALA A 184
SER A  93
GLY A 187
ALA A 346
GLY A 350
 MTE  A 703 (-4.8A)
MTE  A 703 (-2.9A)
None
None
None
 1.27A 4r29A-4z3yA:
undetectable		 4r29A-4z3yA:
14.85
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.
5cdc VP1, STRUCTURAL
POLYPROTEIN

(Israeli acute
paralysis virus) 		PF08762
(CRPV_capsid) 		5 ARG A 182
SER A  82
GLY A 184
PHE A 188
TYR A  94
 None
 1.25A 4r29A-5cdcA:
undetectable		 4r29A-5cdcA:
18.30
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 ALA A 401
GLY A 396
GLN A 210
ALA A 346
GLY A 344
 None
 1.16A 4r29A-5d6nA:
undetectable		 4r29A-5d6nA:
16.80
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 362
SER A 186
GLY A 208
GLY A  16
TYR A  18
 None
 1.30A 4r29A-5erbA:
undetectable		 4r29A-5erbA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5erd DESMOGLEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		5 ALA A  22
ALA A  82
GLY A  80
TYR A  40
TYR A  38
 None
 1.17A 4r29A-5erdA:
undetectable		 4r29A-5erdA:
17.61
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 ALA A 401
GLY A 396
GLN A 210
ALA A 346
GLY A 344
 None
None
None
5SV  A 701 (-4.7A)
5SV  A 701 (-3.6A)
 1.09A 4r29A-5ey8A:
undetectable		 4r29A-5ey8A:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 ALA A 400
GLY A 395
GLN A 209
ALA A 345
GLY A 343
 None
None
None
5SV  A 701 (-4.7A)
5SV  A 701 (-3.8A)
 1.20A 4r29A-5ey9A:
undetectable		 4r29A-5ey9A:
17.66
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.
5fjp O-SUCCINYLBENZOATE
SYNTHASE

(Amycolatopsis
sp.) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 350
ARG A 113
GLY A 346
ALA A 102
MET A 105
 None
 1.27A 4r29A-5fjpA:
undetectable		 4r29A-5fjpA:
20.98
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.
5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		5 ALA A  47
SER A  44
GLY A 302
ALA A 252
GLY A 283
 None
None
None
NAG  A 402 ( 3.7A)
NAG  A 402 ( 4.0A)
 1.30A 4r29A-5gw8A:
undetectable		 4r29A-5gw8A:
21.48
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.
5gyz LUCIFERIN
4-MONOOXYGENASE

(Photinus
pyralis) 		PF00501
(AMP-binding) 		5 ARG A 218
ALA A 348
GLY A 315
GLY A 248
PHE A 247
 7BV  A 500 ( 3.0A)
7BV  A 500 (-3.5A)
7BV  A 500 ( 3.6A)
None
7BV  A 500 (-4.0A)
 0.96A 4r29A-5gyzA:
undetectable		 4r29A-5gyzA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h6j PIERISIN-1

(Pieris rapae) 		no annotation 5 ALA A 167
SER A 114
GLN A 163
ALA A 157
TYR A 101
 None
NAD  A 301 (-3.1A)
NAD  A 301 (-3.4A)
None
None
 1.30A 4r29A-5h6jA:
undetectable		 4r29A-5h6jA:
19.93
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.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		5 SER A 294
GLY A 222
ALA A 236
MET A 240
PHE A 224
 ACT  A 502 (-2.8A)
ACT  A 502 ( 4.8A)
None
None
None
 1.27A 4r29A-5idiA:
undetectable		 4r29A-5idiA:
19.82
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.
5j6b ALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 ALA A 254
GLY A 410
ALA A 274
GLY A 276
TYR A 278
 None
 1.17A 4r29A-5j6bA:
undetectable		 4r29A-5j6bA:
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.
5jkp UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF08238
(Sel1) 		5 ALA A 187
SER A 180
GLY A 183
ALA A 221
GLY A 217
 None
 1.20A 4r29A-5jkpA:
undetectable		 4r29A-5jkpA:
20.49
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.
5kha GLUTAMINE-DEPENDENT
NAD+ SYNTHETASE

(Acinetobacter
baumannii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLY A 266
GLN A 265
ALA A 229
GLY A 214
PHE A 232
 None
 1.23A 4r29A-5khaA:
undetectable		 4r29A-5khaA:
17.64
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.
5kha GLUTAMINE-DEPENDENT
NAD+ SYNTHETASE

(Acinetobacter
baumannii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLY A 266
GLN A 265
ALA A 229
GLY A 214
TYR A 237
 None
 1.23A 4r29A-5khaA:
undetectable		 4r29A-5khaA:
17.64
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.
5ns8 -

(-) 		no annotation 5 ALA A  52
ALA A  44
GLY A 406
PHE A 401
TYR A 407
 None
 1.27A 4r29A-5ns8A:
undetectable		 4r29A-5ns8A:
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.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 5 ARG A 137
ALA A 151
SER A 179
GLY A 177
TYR A  81
 None
 1.30A 4r29A-5nxnA:
undetectable		 4r29A-5nxnA:
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.
5vft PROTEASOME SUBUNIT
BETA TYPE-4

(Homo sapiens) 		no annotation 5 SER T  54
GLY T  52
ALA T 134
GLY T 123
TYR T 132
 None
 1.25A 4r29A-5vftT:
undetectable		 4r29A-5vftT:
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.
5vsj ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE
1

(Streptomyces
coelicolor) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		5 GLY A 509
ALA A 244
MET A 245
GLY A 246
PHE A 247
 None
 1.03A 4r29A-5vsjA:
undetectable		 4r29A-5vsjA:
13.67
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.
5wat HOMOSERINE KINASE

(Corynebacterium
glutamicum) 		no annotation 5 ALA A  20
SER A  19
GLY A  99
ALA A 107
GLY A 136
 PO4  A 403 ( 4.4A)
None
PO4  A 402 (-3.4A)
None
MG  A 407 (-4.9A)
 1.29A 4r29A-5watA:
undetectable		 4r29A-5watA:
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 GLY A 429
GLN A 440
ALA A 377
GLY A 289
TYR A 300
 TRS  A 505 (-3.8A)
None
None
EDO  A 503 (-3.9A)
None
 1.29A 4r29A-5x1nA:
undetectable		 4r29A-5x1nA:
17.99
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 ALA A 443
GLY A 366
ALA A 387
GLY A 391
TYR A 392
 None
 1.29A 4r29A-5xapA:
0.3		 4r29A-5xapA:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 ARG A 331
GLY A 398
GLN A 402
ALA A 124
PHE A 127
 None
 1.28A 4r29A-6c62A:
undetectable		 4r29A-6c62A:
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 ALA A 333
GLY A  25
GLN A  26
ALA A 323
GLY A 325
 None
 1.31A 4r29A-6cmzA:
undetectable		 4r29A-6cmzA:
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 ALA A 466
SER A 465
GLY A 462
ALA A 227
GLY A 223
 None
 1.27A 4r29A-6frvA:
undetectable		 4r29A-6frvA:
undetectable