SIMILAR PATTERNS OF AMINO ACIDS FOR 6MD4_A_BRLA501

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.
1cjx 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 GLY A  79
CYH A  78
SER A  76
LEU A  26
ILE A  57
 EMC  A 630 ( 4.2A)
EMC  A 630 (-2.4A)
None
None
None
 1.37A 6md4A-1cjxA:
0.0		 6md4A-1cjxA:
15.43
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.
1f02 INTIMIN

(Escherichia
coli) 		PF02368
(Big_2)
PF02369
(Big_1)
PF07979
(Intimin_C) 		5 GLY I 810
GLN I 811
LEU I 772
ILE I 756
TYR I 887
 None
 1.44A 6md4A-1f02I:
undetectable		 6md4A-1f02I:
11.66
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.
1g67 THIAMIN PHOSPHATE
SYNTHASE

(Bacillus
subtilis) 		PF02581
(TMP-TENI) 		5 GLY A 151
SER A 206
LEU A  26
ILE A 171
HIS A 107
 None
ICP  A2001 ( 4.1A)
None
None
ICP  A2001 ( 3.5A)
 1.42A 6md4A-1g67A:
0.0		 6md4A-1g67A:
16.36
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 PHE A 656
GLY A 702
GLN A 703
ILE A 699
TYR A 414
 None
NA  A9001 ( 4.7A)
None
None
None
 1.16A 6md4A-1h17A:
0.0		 6md4A-1h17A:
6.89
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.
1i8q HYALURONATE LYASE

(Streptococcus
agalactiae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 GLY A 561
GLN A 498
LEU A 515
ILE A 522
MET A 568
 None
 1.44A 6md4A-1i8qA:
undetectable		 6md4A-1i8qA:
7.04
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		5 GLY A 309
TYR A 317
ILE A 277
HIS A  80
TYR A 256
 PLP  A 401 (-3.9A)
None
None
None
None
 1.44A 6md4A-1j0aA:
undetectable		 6md4A-1j0aA:
15.86
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.
1tnu GERANYLGERANYL
TRANSFERASE TYPE I
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 PHE B 324
GLY B 328
CYH B 327
ILE B 337
TYR B 176
 None
 1.00A 6md4A-1tnuB:
0.0		 6md4A-1tnuB:
12.36
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 PHE A  31
GLY A  27
HIS A 168
ILE A  25
HIS A 318
 NH3  A 401 ( 4.3A)
None
NH3  A 402 ( 4.1A)
None
NH3  A 401 ( 3.9A)
 1.15A 6md4A-1u7gA:
0.0		 6md4A-1u7gA:
9.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wc5 ADENYLATE CYCLASE

(Arthrospira
platensis) 		PF00211
(Guanylate_cyc) 		5 GLY A1119
CYH A1118
GLN A1152
ILE A1083
MET A1089
 None
None
MG  A2000 ( 4.6A)
None
None
 1.46A 6md4A-1wc5A:
undetectable		 6md4A-1wc5A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wc5 ADENYLATE CYCLASE

(Arthrospira
platensis) 		PF00211
(Guanylate_cyc) 		5 GLY A1119
CYH A1118
GLN A1152
LEU A1090
ILE A1083
 None
None
MG  A2000 ( 4.6A)
None
None
 1.32A 6md4A-1wc5A:
undetectable		 6md4A-1wc5A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wc5 ADENYLATE CYCLASE

(Arthrospira
platensis) 		PF00211
(Guanylate_cyc) 		5 GLY A1119
CYH A1118
GLN A1152
LEU A1090
ILE A1195
 None
None
MG  A2000 ( 4.6A)
None
None
 1.38A 6md4A-1wc5A:
undetectable		 6md4A-1wc5A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bex RIBONUCLEASE
INHIBITOR

(Homo sapiens) 		PF13516
(LRR_6) 		5 GLY A 363
GLN A 366
SER A 369
HIS A 397
LEU A 399
 None
 1.35A 6md4A-2bexA:
undetectable		 6md4A-2bexA:
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.
2hro PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
carnosus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 GLY A 504
CYH A 503
SER A 525
ILE A 452
MET A 390
 None
 0.94A 6md4A-2hroA:
undetectable		 6md4A-2hroA:
9.40
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.
2hsj PUTATIVE PLATELET
ACTIVATING FACTOR

(Streptococcus
pneumoniae) 		PF13472
(Lipase_GDSL_2) 		5 GLY A 198
GLN A 200
SER A 203
LEU A  47
ILE A  41
 None
 1.35A 6md4A-2hsjA:
undetectable		 6md4A-2hsjA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ks6 UDP-N-ACETYLGLUCOSAM
INE TRANSFERASE
SUBUNIT ALG13

(Saccharomyces
cerevisiae) 		PF04101
(Glyco_tran_28_C) 		5 CYH A  12
SER A 115
LEU A 168
ILE A  44
TYR A 200
 None
 1.46A 6md4A-2ks6A:
undetectable		 6md4A-2ks6A:
14.43
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.
2mem SEX COMB ON
MIDLEG-LIKE PROTEIN
2

(Homo sapiens) 		PF12140
(SLED) 		5 GLY A 368
CYH A 458
GLN A 457
LEU A 462
ILE A 376
 None
 1.36A 6md4A-2memA:
undetectable		 6md4A-2memA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ox4 PUTATIVE MANDELATE
RACEMASE

(Zymomonas
mobilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 320
HIS A 315
LEU A 289
ILE A 373
TYR A  42
 None
 1.45A 6md4A-2ox4A:
undetectable		 6md4A-2ox4A:
13.71
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.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 273
CYH A 276
GLN A 277
HIS A 440
TYR A 314
 735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 (-4.4A)
735  A 469 (-4.0A)
735  A 469 (-3.9A)
 1.48A 6md4A-2p54A:
36.5		 6md4A-2p54A:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 PHE A 273
CYH A 276
GLN A 277
LEU A 321
ILE A 339
HIS A 440
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 (-4.4A)
735  A 469 ( 4.3A)
735  A 469 ( 4.1A)
735  A 469 (-4.0A)
735  A 469 (-4.6A)
 1.39A 6md4A-2p54A:
36.5		 6md4A-2p54A:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 PHE A 273
CYH A 276
GLN A 277
SER A 280
LEU A 321
MET A 355
HIS A 440
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 (-4.4A)
735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
735  A 469 (-4.6A)
 0.70A 6md4A-2p54A:
36.5		 6md4A-2p54A:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rad SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		5 GLY A 115
GLN A 174
ILE A 169
HIS A 309
TYR A 320
 None
 1.49A 6md4A-2radA:
undetectable		 6md4A-2radA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vrt RIBONUCLEASE E

(Escherichia
coli) 		PF00575
(S1)
PF10150
(RNase_E_G) 		5 GLY A  21
GLN A  22
TYR A 259
LEU A 230
HIS A 268
 None
 1.26A 6md4A-2vrtA:
undetectable		 6md4A-2vrtA:
10.37
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 GLY A 505
CYH A 504
SER A 526
ILE A 453
MET A 391
 None
 1.09A 6md4A-2wqdA:
undetectable		 6md4A-2wqdA:
8.67
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.
2wqp POLYSIALIC ACID
CAPSULE BIOSYNTHESIS
PROTEIN SIAC

(Neisseria
meningitidis) 		PF03102
(NeuB)
PF08666
(SAF) 		5 PHE A 112
SER A 132
LEU A 180
ILE A 151
TYR A 186
 WQP  A1350 (-4.6A)
WQP  A1350 (-2.7A)
None
None
WQP  A1350 (-3.9A)
 1.44A 6md4A-2wqpA:
undetectable		 6md4A-2wqpA:
13.79
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.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLY A 279
HIS A 336
LEU A 301
ILE A 494
TYR A 334
 None
NSS  A1550 (-4.2A)
None
None
NSS  A1550 (-3.5A)
 1.19A 6md4A-2xgtA:
undetectable		 6md4A-2xgtA:
10.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 PHE A 282
GLY A 284
CYH A 285
GLN A 286
SER A 289
HIS A 323
TYR A 327
LEU A 330
ILE A 341
MET A 364
HIS A 449
TYR A 473
 MC5  A   1 (-4.4A)
MC5  A   1 ( 4.5A)
MC5  A   1 (-3.6A)
None
MC5  A   1 (-2.6A)
MC5  A   1 (-3.8A)
None
MC5  A   1 (-4.4A)
MC5  A   1 (-4.5A)
MC5  A   1 (-3.7A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.9A)
 0.58A 6md4A-3b0qA:
40.8		 6md4A-3b0qA:
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.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 PHE A 282
CYH A 285
GLN A 286
HIS A 323
LEU A 330
HIS A 449
TYR A 473
 L41  A 501 ( 4.9A)
L41  A 501 (-3.5A)
None
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 (-3.9A)
L41  A 501 (-4.8A)
 0.78A 6md4A-3d5fA:
36.0		 6md4A-3d5fA:
15.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 GLY D 284
CYH D 285
TYR D 473
LEU D 469
HIS D 449
 PLB  D 701 (-3.3A)
PLB  D 701 (-3.2A)
None
None
None
 1.45A 6md4A-3dzuD:
36.8		 6md4A-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 PHE D 282
CYH D 285
GLN D 286
HIS D 323
TYR D 327
 None
PLB  D 701 (-3.2A)
None
None
None
 1.16A 6md4A-3dzuD:
36.8		 6md4A-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 PHE D 282
CYH D 285
HIS D 323
TYR D 327
HIS D 449
 None
PLB  D 701 (-3.2A)
None
None
None
 1.13A 6md4A-3dzuD:
36.8		 6md4A-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 PHE D 282
GLN D 286
HIS D 323
TYR D 327
TYR D 473
 None
 1.14A 6md4A-3dzuD:
36.8		 6md4A-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		7 PHE D 282
GLY D 284
CYH D 285
GLN D 286
TYR D 327
LEU D 330
MET D 364
 None
PLB  D 701 (-3.3A)
PLB  D 701 (-3.2A)
None
None
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
 0.91A 6md4A-3dzuD:
36.8		 6md4A-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		7 PHE D 282
GLY D 284
CYH D 285
TYR D 327
LEU D 330
MET D 364
HIS D 449
 None
PLB  D 701 (-3.3A)
PLB  D 701 (-3.2A)
None
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
 1.00A 6md4A-3dzuD:
36.8		 6md4A-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 PHE D 282
GLY D 284
GLN D 286
SER D 289
TYR D 327
LEU D 330
ILE D 341
MET D 364
TYR D 473
 None
PLB  D 701 (-3.3A)
None
PLB  D 701 ( 3.9A)
None
PLB  D 701 ( 4.1A)
PLB  D 701 (-3.6A)
PLB  D 701 ( 4.8A)
None
 0.68A 6md4A-3dzuD:
36.8		 6md4A-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 PHE D 282
GLY D 284
SER D 289
TYR D 327
LEU D 330
ILE D 341
MET D 364
HIS D 449
TYR D 473
 None
PLB  D 701 (-3.3A)
PLB  D 701 ( 3.9A)
None
PLB  D 701 ( 4.1A)
PLB  D 701 (-3.6A)
PLB  D 701 ( 4.8A)
None
None
 0.85A 6md4A-3dzuD:
36.8		 6md4A-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 PHE D 282
HIS D 323
TYR D 327
HIS D 449
TYR D 473
 None
 1.23A 6md4A-3dzuD:
36.8		 6md4A-3dzuD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 PHE D 363
TYR D 327
LEU D 330
ILE D 341
HIS D 449
TYR D 473
 None
None
PLB  D 701 ( 4.1A)
PLB  D 701 (-3.6A)
None
None
 1.49A 6md4A-3dzuD:
36.8		 6md4A-3dzuD:
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.
3h4j SNF1-LIKE PROTEIN
KINASE SSP2

(Schizosaccharomyces
pombe) 		no annotation 5 GLY B 133
LEU B 164
ILE B 122
HIS B  93
TYR B 292
 None
 1.19A 6md4A-3h4jB:
undetectable		 6md4A-3h4jB:
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.
3kom TRANSKETOLASE

(Francisella
tularensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLN A  94
SER A  97
LEU A  84
ILE A  86
MET A  71
 None
 1.11A 6md4A-3komA:
undetectable		 6md4A-3komA:
8.50
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.
3o5v X-PRO DIPEPTIDASE

(Streptococcus
pyogenes) 		PF01321
(Creatinase_N) 		5 PHE A 109
GLY A 111
GLN A 113
LEU A  18
ILE A  85
 None
None
None
GOL  A 132 ( 4.7A)
None
 1.34A 6md4A-3o5vA:
undetectable		 6md4A-3o5vA:
18.03
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.
3scy HYPOTHETICAL
BACTERIAL
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
fragilis) 		PF10282
(Lactonase) 		5 GLY A  42
CYH A 379
HIS A 181
LEU A 128
HIS A 238
 None
None
UNL  A 385 ( 4.0A)
None
None
 1.31A 6md4A-3scyA:
undetectable		 6md4A-3scyA:
11.71
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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 5 GLY A 251
GLN A 250
HIS A 240
LEU A 218
ILE A 203
 None
 1.44A 6md4A-3ssmA:
undetectable		 6md4A-3ssmA:
12.53
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 366
CYH A 367
TYR A 353
ILE A 333
MET A 356
 None
 1.28A 6md4A-3t6cA:
undetectable		 6md4A-3t6cA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 PHE A 314
GLN A 219
LEU A 309
ILE A 232
TYR A  90
 None
 1.36A 6md4A-3tnxA:
undetectable		 6md4A-3tnxA:
11.73
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.
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum) 		PF13407
(Peripla_BP_4) 		5 GLY A 240
GLN A 241
TYR A 323
LEU A 318
ILE A 251
 None
BDP  A 331 ( 4.1A)
None
None
None
 1.40A 6md4A-3uugA:
undetectable		 6md4A-3uugA:
11.82
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 GLY A 571
GLN A 575
SER A 152
TYR A 581
ILE A 568
 None
None
None
GLC  A 819 (-4.2A)
None
 1.47A 6md4A-3wnpA:
undetectable		 6md4A-3wnpA:
8.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a7l MYOSIN IE HEAVY
CHAIN

(Dictyostelium
discoideum) 		PF00063
(Myosin_head) 		5 PHE C 390
GLY C 389
ILE C 387
HIS C 507
TYR C 514
 None
 1.41A 6md4A-4a7lC:
undetectable		 6md4A-4a7lC:
9.27
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.
4eoc PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE

(Synechocystis
sp. PCC 6803) 		PF05996
(Fe_bilin_red) 		5 GLY A 208
GLN A 209
HIS A 187
TYR A 133
LEU A 129
 None
None
CSO  A 188 ( 4.7A)
None
None
 1.20A 6md4A-4eocA:
undetectable		 6md4A-4eocA:
15.61
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.
4hq6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 518
SER A 515
TYR A 623
LEU A 622
ILE A 595
 None
 1.41A 6md4A-4hq6A:
undetectable		 6md4A-4hq6A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m69 MIXED LINEAGE KINASE
DOMAIN-LIKE PROTEIN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 PHE B 337
GLY B 336
SER B 323
LEU B 306
ILE B 251
 None
 1.34A 6md4A-4m69B:
undetectable		 6md4A-4m69B:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovq TRAP DICARBOXYLATE
ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Roseobacter
denitrificans) 		PF03480
(DctP) 		5 GLY A  86
CYH A 238
LEU A  90
ILE A  75
MET A 131
 None
 1.50A 6md4A-4ovqA:
undetectable		 6md4A-4ovqA:
14.17
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.
4rus FISH-EGG LECTIN

(Cyprinus carpio) 		PF06462
(Hyd_WA) 		5 GLY A  16
SER A 216
HIS A 214
HIS A  46
TYR A 125
 None
CA  A 303 ( 4.3A)
None
None
None
 1.12A 6md4A-4rusA:
undetectable		 6md4A-4rusA:
14.67
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.
4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Chloroflexus
aurantiacus) 		PF13407
(Peripla_BP_4) 		5 GLY A 296
GLN A 297
TYR A 377
LEU A 372
ILE A 307
 None
BGC  A 402 ( 4.3A)
None
None
None
 1.39A 6md4A-4rxuA:
undetectable		 6md4A-4rxuA:
13.47
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.
4us5 LUCIFERASE-LIKE
MONOOXYGENASE

(Streptomyces
bottropensis) 		PF00296
(Bac_luciferase) 		5 HIS A 239
ILE A  48
MET A 246
HIS A 243
TYR A 282
 None
 1.23A 6md4A-4us5A:
undetectable		 6md4A-4us5A:
12.00
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.
4wwh ABC TRANSPORTER

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 GLY A 275
GLN A 276
TYR A 358
LEU A 353
ILE A 286
 None
GAL  A 401 ( 3.9A)
TRS  A 402 (-2.9A)
None
None
 1.47A 6md4A-4wwhA:
undetectable		 6md4A-4wwhA:
13.28
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 PHE A1305
HIS A1417
LEU A1565
HIS A1456
TYR A1413
 None
 1.41A 6md4A-4xqkA:
undetectable		 6md4A-4xqkA:
4.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xru RNL
HEN1

(Capnocytophaga
gingivalis;
Capnocytophaga
gingivalis) 		PF16542
(PNKP_ligase)
no annotation 		5 GLY C  34
HIS B 143
TYR B 209
LEU B 150
ILE C  37
 None
 1.18A 6md4A-4xruC:
undetectable		 6md4A-4xruC:
11.11
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.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		5 GLY A 340
LEU A 353
ILE A 319
HIS A 297
TYR A 299
 None
 1.40A 6md4A-5a42A:
undetectable		 6md4A-5a42A:
4.77
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.
5ab4 SCP2-THIOLASE LIKE
PROTEIN

(Trypanosoma
brucei) 		no annotation 5 PHE A 293
GLN A 371
HIS A 179
ILE A   8
HIS A 347
 None
 1.39A 6md4A-5ab4A:
undetectable		 6md4A-5ab4A:
10.87
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.
5d1z D4-10 HEAVY CHAIN
IRON-REGULATED
SURFACE DETERMINANT
PROTEIN B

(Homo sapiens;
Staphylococcus
aureus) 		PF07654
(C1-set)
PF07686
(V-set)
PF05031
(NEAT) 		5 PHE D  55
GLY D  57
SER I 169
HIS I 166
TYR I 249
 None
 1.38A 6md4A-5d1zD:
undetectable		 6md4A-5d1zD:
12.64
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.
5ev7 CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		5 GLY A 284
GLN A 286
LEU A 293
ILE A 304
TYR A 253
 None
 1.35A 6md4A-5ev7A:
undetectable		 6md4A-5ev7A:
9.62
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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		5 GLY A 634
HIS A 274
LEU A 283
ILE A 639
MET A 620
 None
None
PC1  A1913 ( 4.7A)
PC1  A1903 ( 4.6A)
None
 1.41A 6md4A-5gjvA:
undetectable		 6md4A-5gjvA:
4.08
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.
5gm3 ENDOGLUCANASE-1

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		5 GLN A 183
HIS A 185
TYR A 159
LEU A 119
ILE A  81
 None
ZN  A 301 (-3.1A)
None
None
None
 1.50A 6md4A-5gm3A:
undetectable		 6md4A-5gm3A:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		5 PHE A  15
GLY A  14
LEU A 121
MET A 354
TYR A 442
 None
 1.16A 6md4A-5gnxA:
undetectable		 6md4A-5gnxA:
11.27
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.
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis) 		PF10091
(Glycoamylase) 		5 GLY A 377
GLN A  36
LEU A 350
ILE A 375
TYR A  90
 None
 1.31A 6md4A-5gzhA:
undetectable		 6md4A-5gzhA:
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.
5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A

(Clostridium
perfringens) 		PF03496
(ADPrib_exo_Tox) 		5 GLY A 183
GLN A 182
LEU A 158
ILE A 209
TYR A  43
 None
 1.30A 6md4A-5h04A:
undetectable		 6md4A-5h04A:
11.84
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 5 GLY A  70
GLN A  68
LEU A 416
ILE A 449
TYR A  78
 None
 1.26A 6md4A-5oc1A:
undetectable		 6md4A-5oc1A:
9.20
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.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		5 GLN A 363
SER A 214
TYR A 238
LEU A 219
ILE A 262
 None
 1.38A 6md4A-5u7wA:
undetectable		 6md4A-5u7wA:
12.28
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.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		5 GLY A  47
HIS A  21
LEU A  85
ILE A 102
TYR A  41
 None
 1.30A 6md4A-5u7wA:
undetectable		 6md4A-5u7wA:
12.28
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.
5wh8 PUTATIVE
CARBOHYDRATE-ACTIVE
ENZYME

(uncultured
organism) 		no annotation 5 GLY A  80
SER A  82
HIS A 156
LEU A 112
ILE A 149
 None
 1.36A 6md4A-5wh8A:
undetectable		 6md4A-5wh8A:
15.00
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 GLY A 164
HIS A 107
LEU A 134
ILE A 159
HIS A 440
 None
ZN  A 502 (-3.4A)
None
None
ZN  A 502 ( 4.8A)
 1.42A 6md4A-5x4jA:
undetectable		 6md4A-5x4jA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Paenibacillus
sp. 598K) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 GLY A 572
GLN A 576
SER A 153
TYR A 582
ILE A 569
 None
GLC  A 820 ( 4.4A)
None
GLC  A 808 ( 4.2A)
None
 1.44A 6md4A-5x7hA:
undetectable		 6md4A-5x7hA:
8.76
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 PHE B 370
GLY B 372
LEU B 265
ILE B 274
MET B 245
 None
 1.45A 6md4A-5xogB:
undetectable		 6md4A-5xogB:
5.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bs7 ADENYLOSUCCINATE
SYNTHETASE

(Legionella
pneumophila) 		no annotation 5 PHE A 158
GLY A 150
HIS A 111
ILE A 100
TYR A 110
 None
 1.49A 6md4A-6bs7A:
undetectable		 6md4A-6bs7A:
16.85
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.
6bs7 ADENYLOSUCCINATE
SYNTHETASE

(Legionella
pneumophila) 		no annotation 5 PHE A 158
GLY A 150
HIS A 111
LEU A  75
TYR A 110
 None
 1.20A 6md4A-6bs7A:
undetectable		 6md4A-6bs7A:
16.85
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 1,
MITOCHONDRIAL

(Mus musculus) 		no annotation 5 GLY F 417
GLN F 416
LEU F 426
ILE F 343
MET F 376
 None
 1.21A 6md4A-6g2jF:
undetectable		 6md4A-6g2jF:
19.51