SIMILAR PATTERNS OF AMINO ACIDS FOR 3MDV_A_CL6A506

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.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 LEU A   9
PHE A  31
LEU A 142
ILE A  27
ALA A 225
 None
 1.15A 3mdvA-1ahiA:
0.0		 3mdvA-1ahiA:
21.37
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.
1b4q PROTEIN (HUMAN
THIOLTRANSFERASE)

(Homo sapiens) 		PF00462
(Glutaredoxin) 		5 LEU A  42
VAL A  16
ILE A  31
ALA A  28
GLU A  30
 None
 1.15A 3mdvA-1b4qA:
0.0		 3mdvA-1b4qA:
13.51
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.
1b9b PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Thermotoga
maritima) 		PF00121
(TIM) 		5 VAL A  89
LEU A 233
ILE A  93
ALA A  64
ALA A   8
 None
 1.12A 3mdvA-1b9bA:
undetectable		 3mdvA-1b9bA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i8a ENDO-1,4-BETA-XYLANA
SE A

(Thermotoga
maritima) 		PF06452
(CBM9_1) 		5 VAL A  76
ILE A 128
ALA A  56
GLU A 130
ALA A 119
 None
None
None
CA  A 191 (-2.2A)
None
 1.14A 3mdvA-1i8aA:
0.0		 3mdvA-1i8aA:
17.76
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.
1ibj CYSTATHIONINE
BETA-LYASE

(Arabidopsis
thaliana) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 313
VAL A 286
LEU A 142
ILE A 280
ALA A 281
 None
 1.05A 3mdvA-1ibjA:
undetectable		 3mdvA-1ibjA:
22.44
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.
1kj9 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE 2

(Escherichia
coli) 		PF02222
(ATP-grasp) 		5 LEU A 127
PHE A 277
LEU A 258
ILE A 117
ALA A 257
 None
 1.08A 3mdvA-1kj9A:
0.0		 3mdvA-1kj9A:
22.44
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.
1lkd BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF00903
(Glyoxalase) 		5 LEU A  60
PHE A  11
LEU A 144
ILE A  50
ALA A  51
 None
 1.02A 3mdvA-1lkdA:
0.0		 3mdvA-1lkdA:
21.01
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.
1miv TRNA CCA-ADDING
ENZYME

(Geobacillus
stearothermophilus) 		PF01743
(PolyA_pol)
PF12627
(PolyA_pol_RNAbd)
PF13735
(tRNA_NucTran2_2) 		5 VAL A  41
LEU A  15
ILE A  11
ALA A   8
ALA A  22
 None
 1.07A 3mdvA-1mivA:
0.0		 3mdvA-1mivA:
22.97
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.
1mp9 TATA-BINDING PROTEIN

(Sulfolobus
acidocaldarius) 		PF00352
(TBP) 		5 VAL A 150
LEU A 115
ILE A 178
ALA A 174
ALA A 113
 None
 1.13A 3mdvA-1mp9A:
0.0		 3mdvA-1mp9A:
19.83
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.
1ps6 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF04166
(PdxA) 		5 LEU A 192
LEU A 262
ILE A 185
ALA A 186
ALA A 161
 None
 1.05A 3mdvA-1ps6A:
undetectable		 3mdvA-1ps6A:
21.63
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.
1rtr GERANYLTRANSTRANSFER
ASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		5 LEU A  17
ILE A  69
ALA A  70
GLU A  72
THR A  76
 None
 1.14A 3mdvA-1rtrA:
undetectable		 3mdvA-1rtrA:
22.17
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.
1w3e 50S RIBOSOMAL
PROTEIN L30E

(Thermococcus
celer) 		PF01248
(Ribosomal_L7Ae) 		5 LEU X  94
LEU X   7
ILE X  36
ALA X  84
ALA X  10
 None
 1.03A 3mdvA-1w3eX:
undetectable		 3mdvA-1w3eX:
17.63
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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		5 LEU C 926
VAL C 842
ILE C 836
ALA C 867
THR C 866
 None
 1.09A 3mdvA-1wa5C:
undetectable		 3mdvA-1wa5C:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z14 VP2

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		5 VAL A  61
LEU A 123
ILE A 131
ALA A  65
THR A  51
 None
 1.14A 3mdvA-1z14A:
undetectable		 3mdvA-1z14A:
22.30
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.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 LEU B  63
LEU B  55
ILE B 111
ALA B 112
GLU B 108
 None
 1.15A 3mdvA-2bkuB:
undetectable		 3mdvA-2bkuB:
20.30
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.
2bqx INORGANIC
PYROPHOSPHATASE

(Helicobacter
pylori) 		PF00719
(Pyrophosphatase) 		5 VAL A  68
ILE A 168
ALA A 167
GLU A 165
ALA A  12
 None
 1.00A 3mdvA-2bqxA:
undetectable		 3mdvA-2bqxA:
17.88
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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 PHE A 337
LEU A 399
ILE A 330
ALA A 331
ALA A 398
 None
 1.08A 3mdvA-2bvgA:
undetectable		 3mdvA-2bvgA:
23.00
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.
2ef0 ORNITHINE
CARBAMOYLTRANSFERASE

(Thermus
thermophilus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 179
VAL A 173
LEU A 258
ALA A 138
THR A 144
 None
 1.11A 3mdvA-2ef0A:
undetectable		 3mdvA-2ef0A:
22.22
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.
2euh NADP DEPENDENT NON
PHOSPHORYLATING
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
mutans) 		PF00171
(Aldedh) 		5 LEU A 311
LEU A 383
ILE A 304
ALA A 269
ALA A 276
 None
 0.99A 3mdvA-2euhA:
undetectable		 3mdvA-2euhA:
23.05
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.
2f9z PROTEIN (CHEMOTAXIS
METHYLATION PROTEIN)

(Thermotoga
maritima) 		PF03975
(CheD) 		5 VAL C 132
LEU C 119
ILE C  86
ALA C  87
GLU C 122
 None
 1.14A 3mdvA-2f9zC:
undetectable		 3mdvA-2f9zC:
17.35
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.
2g7g RHA04620, PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF02909
(TetR_C) 		5 VAL A  62
LEU A 148
ILE A  98
ALA A  97
ALA A 151
 None
 1.05A 3mdvA-2g7gA:
undetectable		 3mdvA-2g7gA:
18.58
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.
2gfq UPF0204 PROTEIN
PH0006

(Pyrococcus
horikoshii) 		PF04414
(tRNA_deacylase) 		5 LEU A 146
ILE A  74
ALA A  75
ALA A 110
THR A  94
 None
 0.91A 3mdvA-2gfqA:
undetectable		 3mdvA-2gfqA:
22.13
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.
2hcf HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Chlorobaculum
tepidum) 		PF13419
(HAD_2) 		5 LEU A   5
LEU A 115
ILE A 174
ALA A 190
ALA A 155
 None
 1.12A 3mdvA-2hcfA:
undetectable		 3mdvA-2hcfA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 LEU A 865
PHE A 888
LEU A 902
ILE A 883
GLU A 880
 None
 1.11A 3mdvA-2hnhA:
undetectable		 3mdvA-2hnhA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iod DIHYDROFLAVONOL
4-REDUCTASE

(Vitis vinifera) 		PF01370
(Epimerase) 		5 LEU A 308
PHE A 228
VAL A 194
ILE A 223
ALA A 209
 None
 1.14A 3mdvA-2iodA:
undetectable		 3mdvA-2iodA:
21.50
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 LEU A 314
VAL A 270
LEU A 350
ILE A 352
ALA A 246
 None
 1.10A 3mdvA-2jgdA:
undetectable		 3mdvA-2jgdA:
21.74
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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		5 PHE A 469
LEU A 502
ILE A 480
ALA A 471
ALA A 505
 None
 1.07A 3mdvA-2jgpA:
undetectable		 3mdvA-2jgpA:
21.51
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.
2jgr YEGS

(Escherichia
coli) 		PF00781
(DAGK_cat) 		5 LEU A  77
LEU A   8
ILE A  10
ALA A  46
ALA A  53
 None
 1.10A 3mdvA-2jgrA:
undetectable		 3mdvA-2jgrA:
21.88
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.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		5 VAL A  26
ILE A  40
ALA A  50
ALA A  57
THR A  56
 None
 1.04A 3mdvA-2nlzA:
undetectable		 3mdvA-2nlzA:
24.06
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.
2ntb PECTINESTERASE A

(Dickeya
dadantii) 		PF01095
(Pectinesterase) 		5 LEU A 157
VAL A 159
LEU A  81
ILE A  74
ALA A 124
 None
 1.10A 3mdvA-2ntbA:
undetectable		 3mdvA-2ntbA:
23.45
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.
2o78 PUTATIVE HISTIDINE
AMMONIA-LYASE

(Rhodobacter
sphaeroides) 		PF00221
(Lyase_aromatic) 		5 LEU A 517
LEU A 465
ILE A 510
ALA A 511
GLU A 509
 None
 1.14A 3mdvA-2o78A:
undetectable		 3mdvA-2o78A:
24.37
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.
2og2 PUTATIVE SIGNAL
RECOGNITION PARTICLE
RECEPTOR

(Arabidopsis
thaliana) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 VAL A 238
LEU A 250
ILE A 129
GLU A 248
THR A 275
 None
 1.10A 3mdvA-2og2A:
undetectable		 3mdvA-2og2A:
22.93
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.
2okf FDXN ELEMENT
EXCISION CONTROLLING
FACTOR PROTEIN

(Trichormus
variabilis) 		PF08814
(XisH) 		5 LEU A 125
VAL A  59
GLU A 132
ALA A  14
THR A  13
 None
 1.06A 3mdvA-2okfA:
undetectable		 3mdvA-2okfA:
17.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q9g CYTOCHROME P450 46A1

(Homo sapiens) 		PF00067
(p450) 		9 LEU A 112
PHE A 121
VAL A 126
LEU A 219
ILE A 301
ALA A 302
GLU A 305
ALA A 474
THR A 475
 None
None
HEM  A 505 ( 3.8A)
None
None
HEM  A 505 (-3.7A)
None
None
None
 0.42A 3mdvA-2q9gA:
66.1		 3mdvA-2q9gA:
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.
2qfc PLCR PROTEIN

(Bacillus
thuringiensis) 		PF01381
(HTH_3) 		5 VAL A 121
LEU A 142
ILE A 161
ALA A 160
GLU A 158
 None
 0.99A 3mdvA-2qfcA:
undetectable		 3mdvA-2qfcA:
21.29
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.
2qul D-TAGATOSE
3-EPIMERASE

(Pseudomonas
cichorii) 		PF01261
(AP_endonuc_2) 		5 LEU A  33
VAL A 244
LEU A 100
ILE A  36
ALA A 102
 None
 1.04A 3mdvA-2qulA:
undetectable		 3mdvA-2qulA:
21.21
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 VAL A 644
LEU A 586
ILE A 618
ALA A 620
ALA A 626
 None
 0.77A 3mdvA-2vdcA:
undetectable		 3mdvA-2vdcA:
15.83
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.
2vl7 XPD

(Sulfurisphaera
tokodaii) 		PF06733
(DEAD_2)
PF13307
(Helicase_C_2) 		5 LEU A 178
VAL A  43
LEU A 316
ILE A 181
THR A  28
 None
 1.14A 3mdvA-2vl7A:
undetectable		 3mdvA-2vl7A:
24.49
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.
2vpk MYONEURIN

(Homo sapiens) 		PF00651
(BTB) 		5 LEU A  76
PHE A  73
VAL A  68
LEU A  42
ILE A  28
 None
 1.12A 3mdvA-2vpkA:
undetectable		 3mdvA-2vpkA:
15.87
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.
3aat ASPARTATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 LEU A 365
VAL A 408
LEU A  35
ALA A 403
ALA A 381
 None
 1.08A 3mdvA-3aatA:
undetectable		 3mdvA-3aatA:
23.68
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.
3aeb SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL

(Sus scrofa) 		PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 VAL B  96
LEU B  48
ILE B  99
ALA B  15
ALA B  47
 None
 1.12A 3mdvA-3aebB:
undetectable		 3mdvA-3aebB:
18.81
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.
3afo NADH KINASE POS5

(Saccharomyces
cerevisiae) 		PF01513
(NAD_kinase) 		5 VAL A 278
LEU A 207
ILE A 285
ALA A 284
THR A 205
 None
 1.02A 3mdvA-3afoA:
undetectable		 3mdvA-3afoA:
20.86
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.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE

(Mesorhizobium
japonicum) 		PF01494
(FAD_binding_3) 		5 LEU A 315
ALA A 327
GLU A 329
ALA A 284
THR A 279
 None
None
None
None
GOL  A 383 (-3.7A)
 1.03A 3mdvA-3allA:
undetectable		 3mdvA-3allA:
20.81
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.
3cqg NUCLEAR PORE COMPLEX
PROTEIN NUP107

(Homo sapiens) 		PF04121
(Nup84_Nup100) 		5 LEU A 736
LEU A 689
ILE A 720
ALA A 721
ALA A 686
 None
 1.12A 3mdvA-3cqgA:
undetectable		 3mdvA-3cqgA:
22.67
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.
3d62 3C-LIKE PROTEINASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF05409
(Peptidase_C30) 		5 LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
 None
 1.04A 3mdvA-3d62A:
undetectable		 3mdvA-3d62A:
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.
3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Brucella
abortus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU A 245
VAL A 308
LEU A 224
ALA A 249
ALA A 162
 None
 1.13A 3mdvA-3docA:
undetectable		 3mdvA-3docA:
22.93
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.
3fij LIN1909 PROTEIN

(Listeria
innocua) 		PF07722
(Peptidase_C26) 		5 LEU A  65
LEU A  61
ILE A  45
ALA A  46
ALA A  58
 None
 1.07A 3mdvA-3fijA:
undetectable		 3mdvA-3fijA:
22.32
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.
3gwe 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE III

(Burkholderia
pseudomallei) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A  76
LEU A 128
ILE A  12
ALA A  13
ALA A 131
 None
 1.15A 3mdvA-3gweA:
undetectable		 3mdvA-3gweA:
22.77
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.
3hul HOMOSERINE KINASE

(Listeria
monocytogenes) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 VAL A 129
LEU A  63
ILE A 114
ALA A 115
ALA A  98
 None
 1.14A 3mdvA-3hulA:
undetectable		 3mdvA-3hulA:
21.22
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.
3ifq PLAKOGLOBIN

(Homo sapiens) 		PF00514
(Arm) 		5 LEU A 497
LEU A 459
ILE A 485
ALA A 484
ALA A 455
 None
 1.13A 3mdvA-3ifqA:
undetectable		 3mdvA-3ifqA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		5 LEU A 117
VAL A 104
LEU A 164
ILE A 114
GLU A 222
 None
 1.02A 3mdvA-3iomA:
undetectable		 3mdvA-3iomA:
20.59
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.
3kyf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
putida) 		PF07238
(PilZ)
PF07317
(YcgR) 		5 PHE A 217
VAL A 215
LEU A 190
ILE A 158
ALA A 186
 None
 0.90A 3mdvA-3kyfA:
undetectable		 3mdvA-3kyfA:
18.92
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.
3l5a NADH/FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Staphylococcus
aureus) 		PF00724
(Oxidored_FMN) 		5 LEU A 262
PHE A 227
LEU A 249
ILE A 171
ALA A 172
 None
 1.10A 3mdvA-3l5aA:
undetectable		 3mdvA-3l5aA:
21.36
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.
3lws AROMATIC AMINO ACID
BETA-ELIMINATING
LYASE/THREONINE
ALDOLASE

(Exiguobacterium
sibiricum) 		PF01212
(Beta_elim_lyase) 		5 LEU A 182
PHE A 179
LEU A  59
ILE A 201
ALA A 193
 None
 1.05A 3mdvA-3lwsA:
undetectable		 3mdvA-3lwsA:
22.25
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.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 LEU A 211
PHE A 233
VAL A 232
ILE A 428
ALA A 425
 None
 1.13A 3mdvA-3m1lA:
undetectable		 3mdvA-3m1lA:
22.13
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 VAL A 265
LEU A 160
ALA A 130
GLU A 132
THR A 158
 LLP  A 292 ( 4.2A)
None
None
None
None
 1.01A 3mdvA-3oksA:
undetectable		 3mdvA-3oksA:
24.22
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.
3ow2 50S RIBOSOMAL
PROTEIN L19E

(Haloarcula
marismortui) 		PF01280
(Ribosomal_L19e) 		5 LEU O   3
PHE O  23
ILE O  49
ALA O  48
ALA O  34
 C  01396 ( 3.8A)
None
None
None
None
 0.99A 3mdvA-3ow2O:
undetectable		 3mdvA-3ow2O:
16.93
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.
3prl NADP-DEPENDENT
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Bacillus
halodurans) 		PF00171
(Aldedh) 		5 LEU A 320
LEU A 392
ILE A 313
ALA A 278
ALA A 285
 None
 0.94A 3mdvA-3prlA:
undetectable		 3mdvA-3prlA:
22.67
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.
3qdk RIBULOKINASE

(Bacillus
halodurans) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 456
ILE A 468
ALA A 445
ALA A 423
THR A 426
 None
 1.15A 3mdvA-3qdkA:
undetectable		 3mdvA-3qdkA:
22.73
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.
3r4t 4-AMINOBUTYRATE
AMINOTRANSFERASE
GABT

(Mycobacterium
marinum) 		PF00202
(Aminotran_3) 		5 VAL A 264
LEU A 159
ALA A 129
GLU A 131
THR A 157
 LLP  A 291 ( 4.3A)
None
None
None
None
 1.02A 3mdvA-3r4tA:
undetectable		 3mdvA-3r4tA:
22.85
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.
3t1p ALPHA-1-ANTITRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A  77
LEU A  30
ILE A  26
ALA A  58
THR A  59
 None
 1.04A 3mdvA-3t1pA:
undetectable		 3mdvA-3t1pA:
22.04
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.
3tv2 FUMARATE HYDRATASE,
CLASS II

(Burkholderia
pseudomallei) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 VAL A 473
LEU A 311
ILE A 431
ALA A 432
ALA A 528
 None
 1.04A 3mdvA-3tv2A:
undetectable		 3mdvA-3tv2A:
21.81
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.
3up9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Actinomyces
odontolyticus) 		PF03180
(Lipoprotein_9) 		5 VAL A 188
LEU A 157
ILE A 141
ALA A 203
ALA A 153
 None
 1.12A 3mdvA-3up9A:
undetectable		 3mdvA-3up9A:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		5 LEU A 101
LEU A 160
ILE A 213
ALA A 214
THR A 223
 OLC  A 502 (-4.4A)
None
None
OLC  A 502 ( 4.2A)
None
 1.14A 3mdvA-3wbnA:
undetectable		 3mdvA-3wbnA:
22.48
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.
3zxn ANTI-SIGMA-FACTOR
ANTAGONIST (STAS)
DOMAIN PROTEIN

(Moorella
thermoacetica) 		PF01740
(STAS) 		5 LEU A  34
PHE A  30
LEU A  64
ILE A  18
ALA A  17
 None
 1.00A 3mdvA-3zxnA:
undetectable		 3mdvA-3zxnA:
15.51
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.
4ads PDX2 PROTEIN

(Plasmodium
falciparum) 		PF01174
(SNO) 		5 LEU G 135
LEU G 169
ALA G 204
ALA G 184
THR G 193
 None
 1.13A 3mdvA-4adsG:
undetectable		 3mdvA-4adsG:
19.95
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.
4atq 4-AMINOBUTYRATE
TRANSAMINASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		5 VAL A 268
LEU A 167
ALA A 137
GLU A 139
THR A 165
 PLP  A1456 (-4.2A)
None
None
None
None
 1.00A 3mdvA-4atqA:
undetectable		 3mdvA-4atqA:
21.36
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Thermobispora
bispora) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  65
VAL A   6
LEU A  73
ALA A 115
GLU A 113
 None
 1.00A 3mdvA-4dhgA:
undetectable		 3mdvA-4dhgA:
21.12
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.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		5 VAL A 263
LEU A 163
ALA A 133
GLU A 135
THR A 161
 LLP  A 290 ( 4.2A)
None
None
None
None
 1.02A 3mdvA-4ffcA:
undetectable		 3mdvA-4ffcA:
22.33
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.
4h6w N-TERMINAL
CYANOBACTIN PROTEASE

(Planktothrix
agardhii) 		PF00082
(Peptidase_S8) 		5 LEU A 150
LEU A 142
ALA A 111
GLU A 109
ALA A 139
 None
 1.15A 3mdvA-4h6wA:
undetectable		 3mdvA-4h6wA:
23.52
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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 LEU B  34
VAL B  24
ILE B  40
ALA B  41
ALA B 316
 None
 1.09A 3mdvA-4hdsB:
undetectable		 3mdvA-4hdsB:
21.09
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.
4i6j F-BOX/LRR-REPEAT
PROTEIN 3

(Homo sapiens) 		PF12937
(F-box-like) 		6 LEU B 144
PHE B 115
VAL B 117
ILE B 130
ALA B 126
ALA B 163
 None
 1.13A 3mdvA-4i6jB:
undetectable		 3mdvA-4i6jB:
21.81
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.
4kt5 GRLA
GRLR

(Escherichia
coli) 		PF07180
(CaiF_GrlA)
PF16518
(GrlR) 		5 VAL A 100
LEU C  86
ILE A  11
GLU A  21
THR C  60
 None
 1.14A 3mdvA-4kt5A:
undetectable		 3mdvA-4kt5A:
14.62
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.
4mdp BETA-GLUCOSIDASE

(Humicola grisea) 		PF00232
(Glyco_hydro_1) 		5 LEU A 360
ILE A 261
ALA A 260
ALA A 238
THR A 239
 None
 1.11A 3mdvA-4mdpA:
undetectable		 3mdvA-4mdpA:
22.04
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.
4mwg PUTATIVE
DIHYDROMETHANOPTERIN
REDUCTASE (AFPA)

(Paraburkholderia
xenovorans) 		PF02441
(Flavoprotein) 		5 LEU A  29
LEU A  46
ALA A  60
GLU A  51
ALA A  50
 None
 1.04A 3mdvA-4mwgA:
undetectable		 3mdvA-4mwgA:
17.52
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.
4nc7 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DELTA

(Bacillus
subtilis) 		PF05066
(HARE-HTH) 		5 LEU A  10
LEU A  22
ILE A  39
ALA A  40
GLU A  38
 None
 1.09A 3mdvA-4nc7A:
undetectable		 3mdvA-4nc7A:
12.06
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.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)

(Agrobacterium
fabrum) 		PF04069
(OpuAC) 		5 LEU A 211
LEU A 143
ILE A 113
ALA A 112
THR A 183
 None
 1.10A 3mdvA-4ne4A:
undetectable		 3mdvA-4ne4A:
20.94
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.
4nho PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX23

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 PHE A 445
VAL A 603
LEU A 480
GLU A 550
ALA A 475
 None
 1.10A 3mdvA-4nhoA:
undetectable		 3mdvA-4nhoA:
22.94
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.
4nxi UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01323
(DSBA) 		5 LEU A 114
LEU A  87
ALA A  81
GLU A  79
ALA A  75
 None
None
None
MG  A 301 ( 4.0A)
None
 1.02A 3mdvA-4nxiA:
undetectable		 3mdvA-4nxiA:
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.
4oh0 BETA-LACTAMASE
OXA-58

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 LEU A 193
PHE A 195
LEU A 151
ILE A  92
ALA A  90
 None
None
None
None
KCX  A  86 ( 3.3A)
 0.88A 3mdvA-4oh0A:
undetectable		 3mdvA-4oh0A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		5 LEU A 228
VAL A 203
ALA A 219
GLU A 217
ALA A 213
 None
 1.11A 3mdvA-4ohtA:
undetectable		 3mdvA-4ohtA:
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.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY

(Escherichia
coli;
Thermotoga
maritima) 		PF00072
(Response_reg)
PF13458
(Peripla_BP_6) 		5 VAL A   5
LEU A 298
ILE A  97
ALA A 282
THR A 281
 None
 0.94A 3mdvA-4qwvA:
undetectable		 3mdvA-4qwvA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udn PERIPLASMIC SOLUTE
BINDING PROTEIN

(Candidatus
Liberibacter
asiaticus) 		PF01297
(ZnuA) 		5 LEU A  58
VAL A  28
ILE A  21
ALA A  22
ALA A 124
 None
 0.98A 3mdvA-4udnA:
undetectable		 3mdvA-4udnA:
22.25
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.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		5 VAL A 294
ALA A 355
GLU A 320
ALA A 334
THR A 335
 None
 1.14A 3mdvA-5a42A:
undetectable		 3mdvA-5a42A:
14.68
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.
5boh BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 LEU A 193
PHE A 195
LEU A 151
ILE A  92
ALA A  90
 None
None
None
None
KCX  A  86 ( 3.4A)
 0.83A 3mdvA-5bohA:
undetectable		 3mdvA-5bohA:
20.82
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 LEU A1066
LEU A1075
ILE A 687
ALA A 684
THR A1079
 None
 0.99A 3mdvA-5cjuA:
undetectable		 3mdvA-5cjuA:
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.
5d8m METAGENOMIC CARBOXYL
ESTERASE MGS0156

(uncultured
organism) 		no annotation 5 VAL A 353
LEU A 239
ILE A 262
ALA A 358
THR A 230
 None
 1.04A 3mdvA-5d8mA:
undetectable		 3mdvA-5d8mA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dku PREX DNA POLYMERASE

(Plasmodium
falciparum) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		5 PHE A 498
LEU A 488
ILE A 461
ALA A 462
ALA A 482
 None
 0.98A 3mdvA-5dkuA:
undetectable		 3mdvA-5dkuA:
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		6 LEU A  75
LEU A 181
ILE A 263
ALA A 264
GLU A 267
THR A 438
 None
None
None
HEM  A 501 (-3.6A)
None
None
 1.32A 3mdvA-5e78A:
43.2		 3mdvA-5e78A:
25.83
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 LEU A  71
LEU A 119
ALA A  26
GLU A  28
ALA A  32
 None
 1.13A 3mdvA-5i2hA:
undetectable		 3mdvA-5i2hA:
24.84
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.
5i92 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		5 LEU A 234
VAL A 203
LEU A 191
ILE A 136
ALA A 226
 None
 1.09A 3mdvA-5i92A:
undetectable		 3mdvA-5i92A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 VAL A 533
ILE A 496
ALA A 495
ALA A 563
THR A 562
 None
None
None
None
NAG  A1130 ( 4.9A)
 1.12A 3mdvA-5nbsA:
undetectable		 3mdvA-5nbsA:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nsq AMINOPEPTIDASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00883
(Peptidase_M17) 		5 VAL A 270
LEU A 212
ILE A 228
ALA A 229
ALA A 317
 None
 0.99A 3mdvA-5nsqA:
undetectable		 3mdvA-5nsqA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		5 VAL A 278
LEU A 220
ILE A 236
ALA A 237
ALA A 327
 None
 1.08A 3mdvA-5nthA:
undetectable		 3mdvA-5nthA:
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.
5uyg PERIPLASMIC CHELATED
IRON-BINDING PROTEIN
YFEA

(Yersinia pestis) 		PF01297
(ZnuA) 		5 LEU A  95
VAL A  65
ILE A  58
ALA A  59
ALA A 159
 None
 0.93A 3mdvA-5uygA:
undetectable		 3mdvA-5uygA:
23.38
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.
5vo7 THIOREDOXIN

(Mycolicibacterium
smegmatis) 		PF00085
(Thioredoxin) 		5 LEU A  83
LEU A 103
ILE A  48
ALA A  49
GLU A  51
 None
 1.10A 3mdvA-5vo7A:
undetectable		 3mdvA-5vo7A:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 LEU C1254
VAL C1337
LEU C1242
ILE C1301
ALA C1302
 None
 1.08A 3mdvA-5y3rC:
undetectable		 3mdvA-5y3rC:
7.99
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.
6a91 -

(-) 		no annotation 5 LEU A1345
PHE A1336
LEU A1391
ILE A1362
ALA A1361
 None
 1.12A 3mdvA-6a91A:
undetectable		 3mdvA-6a91A:
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.
6c5c 3-DEHYDROQUINATE
SYNTHASE

(Candida
albicans) 		no annotation 5 LEU A 309
LEU A 207
ALA A 190
ALA A 196
THR A 195
 None
 1.08A 3mdvA-6c5cA:
undetectable		 3mdvA-6c5cA:
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.
6gui -

(-) 		no annotation 5 VAL A 205
LEU A 183
ILE A 175
ALA A 241
ALA A 186
 None
 1.11A 3mdvA-6guiA:
undetectable		 3mdvA-6guiA:
undetectable