SIMILAR PATTERNS OF AMINO ACIDS FOR 3FL9_A_TOPA200_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a9w HEMOGLOBIN (BETA
CHAIN)

(Homo sapiens) 		PF00042
(Globin) 		5 LEU E 114
VAL E 134
ALA E  23
LEU E 106
PHE E  71
 None
None
None
HEM  E 147 (-4.3A)
HEM  E 147 ( 4.7A)
 1.14A 3fl9A-1a9wE:
undetectable		 3fl9A-1a9wE:
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.
1gmi PROTEIN KINASE C,
EPSILON TYPE

(Rattus rattus) 		PF00168
(C2) 		5 LEU A  44
VAL A  73
ILE A 129
LEU A 131
PHE A 102
 None
 1.04A 3fl9A-1gmiA:
undetectable		 3fl9A-1gmiA:
20.36
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		5 ALA A  45
LEU A 100
ALA A 713
ILE A 712
LEU A  17
 None
 1.15A 3fl9A-1j1wA:
2.4		 3fl9A-1j1wA:
12.47
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		5 LEU A 825
VAL A 778
ALA A 833
ILE A 835
LEU A 837
 None
 1.14A 3fl9A-1k32A:
undetectable		 3fl9A-1k32A:
10.02
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 ALA A 352
ALA A 250
ILE A 254
LEU A 258
TYR A 295
 None
 1.18A 3fl9A-1kq3A:
2.6		 3fl9A-1kq3A:
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.
1moz ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		5 MET A   8
ALA A  87
ILE A  21
LEU A  64
PHE A   9
 None
 1.19A 3fl9A-1mozA:
2.1		 3fl9A-1mozA:
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.
1moz ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		6 MET A   8
LEU A 123
ALA A  88
ILE A  21
LEU A  64
PHE A   9
 None
 1.28A 3fl9A-1mozA:
2.1		 3fl9A-1mozA:
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.
1nw1 CHOLINE KINASE (49.2
KD)

(Caenorhabditis
elegans) 		PF01633
(Choline_kinase) 		5 VAL A 180
ALA A 124
ILE A 128
LEU A 132
PHE A 302
 None
 1.15A 3fl9A-1nw1A:
undetectable		 3fl9A-1nw1A:
16.78
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.
1scj SUBTILISIN E

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 ALA A 150
VAL A 121
ALA A 273
ILE A 234
LEU A 235
 None
 1.21A 3fl9A-1scjA:
undetectable		 3fl9A-1scjA:
18.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
TYR A 121
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 ( 4.7A)
None
None
 1.10A 3fl9A-1u71A:
20.5		 3fl9A-1u71A:
33.33
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.
1un2 THIOL-DISULFIDE
INTERCHANGE PROTEIN

(Escherichia
coli) 		PF01323
(DSBA) 		5 ALA A  26
ALA A   6
ILE A   9
LEU A 182
PHE A  13
 None
 1.14A 3fl9A-1un2A:
undetectable		 3fl9A-1un2A:
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.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		5 ALA A 241
VAL A  81
ALA A 185
ILE A 189
LEU A 193
 None
 1.22A 3fl9A-1vhkA:
undetectable		 3fl9A-1vhkA:
21.62
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.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 ALA A 126
LEU A 122
VAL A  58
ALA A  43
LEU A  49
 None
 1.14A 3fl9A-1wz8A:
undetectable		 3fl9A-1wz8A:
18.86
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.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 ALA A  64
GLU A  68
VAL A  73
ALA A 112
ILE A 115
 None
 1.19A 3fl9A-1x3lA:
undetectable		 3fl9A-1x3lA:
17.27
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.
1xvy SFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		5 ALA A 263
LEU A 258
GLU A 265
ILE A 249
LEU A  57
 None
 1.25A 3fl9A-1xvyA:
undetectable		 3fl9A-1xvyA:
19.08
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.
1y9g EXO-INULINASE

(Aspergillus
awamori) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 VAL A 525
ALA A 424
ILE A 423
LEU A 410
PHE A 421
 None
 1.21A 3fl9A-1y9gA:
undetectable		 3fl9A-1y9gA:
13.83
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.
2c1p IGH-4 PROTEIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA B  78
LEU B  69
ALA B  67
ILE B  48
LEU B  37
 None
 1.24A 3fl9A-2c1pB:
undetectable		 3fl9A-2c1pB:
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 ALA A 160
VAL A 175
ALA A 300
ILE A 304
LEU A 308
 None
 1.02A 3fl9A-2c7bA:
undetectable		 3fl9A-2c7bA:
18.33
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.
2d2x 2-DEOXY-SCYLLO-INOSO
SE SYNTHASE

(Bacillus
circulans) 		PF01761
(DHQ_synthase) 		5 LEU A 351
VAL A 228
ILE A 190
LEU A 191
PHE A 242
 None
 1.11A 3fl9A-2d2xA:
2.1		 3fl9A-2d2xA:
18.63
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.
2dxa PROTEIN YBAK

(Escherichia
coli) 		PF04073
(tRNA_edit) 		5 ALA A  81
VAL A  84
ALA A 153
ILE A 155
LEU A  70
 None
 1.15A 3fl9A-2dxaA:
undetectable		 3fl9A-2dxaA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 ALA A  71
VAL A  65
ALA A  79
ILE A  13
LEU A  15
 None
 1.22A 3fl9A-2g04A:
undetectable		 3fl9A-2g04A:
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ALA A 410
LEU A 319
ILE A 306
LEU A 310
PHE A 387
 None
 1.19A 3fl9A-2g3nA:
undetectable		 3fl9A-2g3nA:
11.59
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.
2gs9 HYPOTHETICAL PROTEIN
TT1324

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 LEU A 206
GLU A 107
ALA A  30
LEU A 101
TYR A  15
 None
 1.22A 3fl9A-2gs9A:
undetectable		 3fl9A-2gs9A:
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.
2j3m PROLYL-TRNA
SYNTHETASE

(Enterococcus
faecalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		5 MET A   1
ALA A 519
ILE A 522
LEU A  45
PHE A 471
 None
 1.06A 3fl9A-2j3mA:
undetectable		 3fl9A-2j3mA:
16.13
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.
2o7p RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 ALA A 189
LEU A 288
ALA A 254
ILE A 232
LEU A 304
 None
None
None
NAP  A 402 ( 4.8A)
NAP  A 402 (-4.0A)
 1.11A 3fl9A-2o7pA:
13.7		 3fl9A-2o7pA:
16.13
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
LEU A  25
ILE A  62
LEU A  67
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
 0.96A 3fl9A-2oipA:
20.6		 3fl9A-2oipA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 5 ALA A 913
VAL A 890
ALA A 321
LEU A 859
PHE A 831
 None
 1.05A 3fl9A-2po4A:
undetectable		 3fl9A-2po4A:
10.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		10 MET A   6
ALA A   8
LEU A  21
GLU A  28
VAL A  32
ALA A  50
ILE A  51
LEU A  55
PHE A  96
TYR A 102
 MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.9A)
None
 0.75A 3fl9A-2qk8A:
28.0		 3fl9A-2qk8A:
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.
2qm1 GLUCOKINASE

(Enterococcus
faecalis) 		PF00480
(ROK) 		5 ALA A 229
VAL A 239
ALA A 213
ILE A 214
PHE A 235
 None
 1.14A 3fl9A-2qm1A:
undetectable		 3fl9A-2qm1A:
19.64
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.
2rvj EPITHELIAL SPLICING
REGULATORY PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 ALA A 504
VAL A 520
ILE A 461
LEU A 452
PHE A 464
 None
 0.78A 3fl9A-2rvjA:
undetectable		 3fl9A-2rvjA:
19.50
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.
2uv7 5'-AMP-ACTIVATED
PROTEIN KINASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00571
(CBS) 		5 GLU A 283
ALA A 321
ILE A 318
LEU A 292
TYR A 201
 None
 1.15A 3fl9A-2uv7A:
undetectable		 3fl9A-2uv7A:
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
ILE A  50
LEU A  54
PHE A  92
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
None
 0.85A 3fl9A-2w9sA:
24.8		 3fl9A-2w9sA:
44.24
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.
2wsm HYDROGENASE
EXPRESSION/FORMATION
PROTEIN (HYPB)

(Archaeoglobus
fulgidus) 		PF02492
(cobW) 		5 ALA A  38
GLU A 141
VAL A 145
ILE A 159
PHE A 153
 None
 1.25A 3fl9A-2wsmA:
3.5		 3fl9A-2wsmA:
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.
2xty QNRB1

(Klebsiella
pneumoniae) 		PF00805
(Pentapeptide)
PF13599
(Pentapeptide_4) 		5 ALA A  91
ALA A 114
ILE A  84
LEU A  61
PHE A  66
 None
 1.20A 3fl9A-2xtyA:
undetectable		 3fl9A-2xtyA:
21.24
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.
2ykf PROBABLE SENSOR
HISTIDINE KINASE
PDTAS

(Mycobacterium
tuberculosis) 		PF12282
(H_kinase_N) 		5 ALA A 218
LEU A 210
ALA A 197
ILE A 278
LEU A 260
 None
 1.19A 3fl9A-2ykfA:
undetectable		 3fl9A-2ykfA:
20.42
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 5 ALA A 357
ALA A 409
ILE A 407
LEU A 675
TYR A 154
 None
 1.00A 3fl9A-2yr5A:
undetectable		 3fl9A-2yr5A:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		5 ALA A  70
LEU A 107
ALA A 104
ILE A 102
LEU A  49
 None
 1.00A 3fl9A-3aalA:
undetectable		 3fl9A-3aalA:
21.57
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.
3aiz DNA POLYMERASE
SLIDING CLAMP C

(Sulfurisphaera
tokodaii) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 LEU C 178
ALA C 132
ILE C 217
LEU C 227
PHE C 156
 None
 1.04A 3fl9A-3aizC:
undetectable		 3fl9A-3aizC:
19.60
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.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 618
VAL A 602
ALA A 719
ILE A 716
LEU A 693
 None
 1.18A 3fl9A-3b2rA:
undetectable		 3fl9A-3b2rA:
19.94
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.
3bq8 SENSOR PROTEIN PHOQ

(Escherichia
coli) 		PF08918
(PhoQ_Sensor) 		5 MET A  85
ALA A  98
LEU A  95
VAL A 102
ILE A 109
 None
 1.21A 3fl9A-3bq8A:
undetectable		 3fl9A-3bq8A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3by9 SENSOR PROTEIN

(Vibrio cholerae) 		PF02743
(dCache_1) 		5 ALA A  98
VAL A  92
ALA A 159
ILE A 172
LEU A  69
 None
 1.23A 3fl9A-3by9A:
undetectable		 3fl9A-3by9A:
17.83
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.
3e0s UNCHARACTERIZED
PROTEIN

(Chlorobaculum
tepidum) 		PF05235
(CHAD) 		5 ALA A 432
ALA A 380
ILE A 384
LEU A 417
PHE A 514
 None
 1.21A 3fl9A-3e0sA:
undetectable		 3fl9A-3e0sA:
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.
3gyb TRANSCRIPTIONAL
REGULATORS
(LACI-FAMILY
TRANSCRIPTIONAL
REGULATORY PROTEIN)

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		5 LEU A 182
VAL A 235
ALA A 246
ILE A 266
LEU A 264
 None
 1.20A 3fl9A-3gybA:
undetectable		 3fl9A-3gybA:
20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LEU X  20
VAL X  31
ILE X  50
LEU X  54
PHE X  92
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
None
N22  X 219 (-4.6A)
None
N22  X 219 ( 3.7A)
None
 0.76A 3fl9A-3i8aX:
25.0		 3fl9A-3i8aX:
46.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ALA A   8
GLU A  28
ILE A  51
LEU A  55
TYR A 102
 MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
 0.80A 3fl9A-3ia4A:
25.7		 3fl9A-3ia4A:
44.85
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.
3jby V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Danio rerio) 		PF12940
(RAG1) 		5 LEU A 597
VAL A 713
ILE A 649
LEU A 586
PHE A 720
 None
 1.15A 3fl9A-3jbyA:
undetectable		 3fl9A-3jbyA:
10.33
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.
3lwt PHOSPHOINOSITIDE
PHOSPHATASE SAC1

(Saccharomyces
cerevisiae) 		PF02383
(Syja_N) 		5 ALA X  56
VAL X  90
ALA X  70
ILE X  71
LEU X 119
 None
 1.14A 3fl9A-3lwtX:
undetectable		 3fl9A-3lwtX:
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		6 ALA A 132
LEU A 136
VAL A 149
ILE A 185
LEU A 255
PHE A 181
 None
 1.42A 3fl9A-3m07A:
undetectable		 3fl9A-3m07A:
12.78
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.
3nap CAPSID PROTEIN

(Triatoma virus) 		PF00073
(Rhv) 		5 ALA B 113
LEU B 110
VAL B 236
LEU B 151
PHE B 106
 None
 1.07A 3fl9A-3napB:
undetectable		 3fl9A-3napB:
17.31
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.
3nk4 ZONA PELLUCIDA 3

(Gallus gallus) 		PF00100
(Zona_pellucida) 		5 VAL A 226
ALA A 231
ILE A 293
LEU A 186
PHE A 276
 None
 1.06A 3fl9A-3nk4A:
undetectable		 3fl9A-3nk4A:
17.65
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.
3qkx UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR HI_0893

(Haemophilus
influenzae) 		PF00440
(TetR_N) 		5 MET A  65
ALA A 155
ILE A 156
LEU A 105
PHE A  66
 None
 1.10A 3fl9A-3qkxA:
undetectable		 3fl9A-3qkxA:
15.62
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A 533
VAL A 516
ALA A 502
ILE A 499
PHE A 522
 None
 1.18A 3fl9A-3sunA:
undetectable		 3fl9A-3sunA:
11.14
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.
3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Sphingomonas
sp. SKA58) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  35
LEU A  48
ALA A   7
ILE A  23
LEU A  94
 None
 1.24A 3fl9A-3thuA:
undetectable		 3fl9A-3thuA:
17.33
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.
3u44 ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A

(Bacillus
subtilis) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 LEU A 642
VAL A 651
ALA A 673
ILE A 661
LEU A 687
 None
 1.23A 3fl9A-3u44A:
undetectable		 3fl9A-3u44A:
9.09
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 VAL A 407
ALA A 429
ILE A 430
PHE A 410
TYR A 345
 None
 1.12A 3fl9A-3wdjA:
undetectable		 3fl9A-3wdjA:
13.02
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.
3whi SUBTILISIN E

(Bacillus
subtilis) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		5 ALA A 240
VAL A 211
ALA A 363
ILE A 324
LEU A 325
 None
 1.20A 3fl9A-3whiA:
undetectable		 3fl9A-3whiA:
17.26
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.
3zet PUTATIVE M22
PEPTIDASE YEAZ

(Salmonella
enterica) 		PF00814
(Peptidase_M22) 		5 ALA A  60
LEU A 195
ALA A  25
ILE A  45
LEU A  46
 None
 1.00A 3fl9A-3zetA:
undetectable		 3fl9A-3zetA:
18.64
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.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1

(Lupinus luteus) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 LEU A 433
VAL A 267
ALA A 473
ILE A 472
LEU A 550
 None
 1.24A 3fl9A-3zk4A:
undetectable		 3fl9A-3zk4A:
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.
4aur LEOA

(Escherichia
coli) 		PF00350
(Dynamin_N) 		5 LEU A 556
ALA A 421
ILE A 428
LEU A 433
PHE A 415
 None
 1.21A 3fl9A-4aurA:
undetectable		 3fl9A-4aurA:
14.48
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.
4avc LYSINE
ACETYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00027
(cNMP_binding)
PF13302
(Acetyltransf_3) 		5 MET A  18
LEU A 131
ILE A 124
LEU A  32
PHE A  21
 None
PEG  A1335 (-4.3A)
None
None
None
 1.22A 3fl9A-4avcA:
undetectable		 3fl9A-4avcA:
17.48
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.
4dzi PUTATIVE TIM-BARREL
METAL-DEPENDENT
HYDROLASE

(Mycobacterium
avium) 		PF04909
(Amidohydro_2) 		5 LEU A 120
VAL A 289
ALA A 164
ILE A 163
LEU A 392
 None
 1.19A 3fl9A-4dziA:
undetectable		 3fl9A-4dziA:
16.59
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.
4eba MRNA
3'-END-PROCESSING
PROTEIN RNA14

(Kluyveromyces
lactis) 		PF05843
(Suf) 		5 LEU A 261
ALA A  82
ILE A  84
LEU A  74
PHE A  78
 None
 1.12A 3fl9A-4ebaA:
undetectable		 3fl9A-4ebaA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0j PROBABLE HYDROLYTIC
ENZYME

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 ALA A  37
LEU A  57
GLU A  83
ALA A  55
PHE A  34
 None
None
None
None
EDO  A 412 ( 4.9A)
 1.07A 3fl9A-4f0jA:
undetectable		 3fl9A-4f0jA:
19.25
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.
4ff5 GLYCOSYL HYDROLASE
25

(Streptococcus
pneumoniae) 		PF01183
(Glyco_hydro_25) 		5 MET A 109
ALA A 112
VAL A 101
ALA A 156
ILE A 159
 None
 1.15A 3fl9A-4ff5A:
undetectable		 3fl9A-4ff5A:
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
LEU X  25
GLU X  32
LEU X  72
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
None
 1.04A 3fl9A-4g8zX:
19.8		 3fl9A-4g8zX:
28.57
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
LEU A  25
GLU A  32
LEU A  69
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
None
None
 1.00A 3fl9A-4h98A:
18.7		 3fl9A-4h98A:
29.28
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 LEU A  25
GLU A  32
ILE A  62
LEU A  69
TYR A 127
 14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
None
None
 1.12A 3fl9A-4h98A:
18.7		 3fl9A-4h98A:
29.28
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.
4jvs PUTATIVE
UNCHARACTERIZED
PROTEIN

(Legionella
drancourtii) 		no annotation 5 ALA A 421
ILE A 547
LEU A 576
PHE A 544
TYR A 451
 None
ACY  A 701 (-4.4A)
ACY  A 701 ( 4.5A)
None
None
 1.14A 3fl9A-4jvsA:
undetectable		 3fl9A-4jvsA:
18.98
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.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		5 ALA A 399
LEU A 368
ALA A 305
ILE A 306
LEU A 373
 None
 1.19A 3fl9A-4k7cA:
undetectable		 3fl9A-4k7cA:
17.27
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.
4k9z PUTATIVE
THIOL-DISULFIDE
OXIDOREDUCTASE

(Bacteroides
vulgatus) 		PF08534
(Redoxin) 		5 ALA A  27
ALA A 121
ILE A 122
LEU A  54
PHE A  30
 None
 1.17A 3fl9A-4k9zA:
undetectable		 3fl9A-4k9zA:
19.15
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		5 ALA A 802
VAL A 707
ALA A 792
ILE A 791
PHE A 728
 None
 1.20A 3fl9A-4lglA:
undetectable		 3fl9A-4lglA:
10.59
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.
4oj2 AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 ALA X  19
GLU X  16
ALA X 161
ILE X 164
LEU X 141
 None
 1.16A 3fl9A-4oj2X:
undetectable		 3fl9A-4oj2X:
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.
4ol9 PUTATIVE
2-DEHYDROPANTOATE
2-REDUCTASE

(Mycobacterium
tuberculosis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ALA A 162
LEU A 142
ALA A  96
ILE A  70
LEU A   7
 None
 1.10A 3fl9A-4ol9A:
undetectable		 3fl9A-4ol9A:
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.
4paf TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		5 MET A 102
ALA A 323
ILE A 120
LEU A 121
PHE A 105
 None
 1.24A 3fl9A-4pafA:
undetectable		 3fl9A-4pafA:
17.26
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.
4qiw DNA-DIRECTED RNA
POLYMERASE SUBUNIT D

(Thermococcus
kodakarensis) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 ALA D  93
LEU D 123
ILE D  59
LEU D  63
PHE D 131
 None
 0.95A 3fl9A-4qiwD:
undetectable		 3fl9A-4qiwD:
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.
4r8x URICASE

(Bacillus
fastidiosus) 		PF01014
(Uricase) 		5 ALA A 224
LEU A  22
GLU A 226
VAL A 144
TYR A 208
 None
 0.78A 3fl9A-4r8xA:
undetectable		 3fl9A-4r8xA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ux8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		PF00028
(Cadherin) 		5 ALA A 294
LEU A 296
VAL A 374
LEU A 319
PHE A 329
 None
 1.19A 3fl9A-4ux8A:
undetectable		 3fl9A-4ux8A:
11.53
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.
4z5p CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 ALA A 361
LEU A 140
ALA A 134
ILE A 397
LEU A 253
 None
 1.22A 3fl9A-4z5pA:
undetectable		 3fl9A-4z5pA:
16.37
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.
4zij THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA

(Escherichia
coli) 		PF01323
(DSBA) 		5 ALA A 125
ALA A 105
ILE A 108
LEU A  92
PHE A 112
 None
 1.12A 3fl9A-4zijA:
undetectable		 3fl9A-4zijA:
19.80
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.
4zk3 SERPIN B3

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 314
VAL A 349
ALA A  50
ILE A  53
LEU A  38
 None
 1.24A 3fl9A-4zk3A:
undetectable		 3fl9A-4zk3A:
17.82
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ALA A 287
LEU A 284
ALA A 167
ILE A 171
LEU A 263
 None
 1.23A 3fl9A-5a3yA:
undetectable		 3fl9A-5a3yA:
15.47
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.
5b4x LOW DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 8,
APOLIPOPROTEIN E
RECEPTOR, ISOFORM
CRA_E

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		5 ALA B 433
VAL B 449
ALA B 414
ILE B 459
LEU B 468
 None
 1.24A 3fl9A-5b4xB:
undetectable		 3fl9A-5b4xB:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		5 ALA A  79
VAL A 194
ALA A 127
ILE A 128
LEU A 212
 None
 0.87A 3fl9A-5e43A:
undetectable		 3fl9A-5e43A:
17.51
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.
5eh1 INTERFERON GAMMA
RECEPTOR 2

(Homo sapiens) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		5 VAL A 138
ALA A 166
ILE A 165
LEU A 216
PHE A 163
 None
 1.23A 3fl9A-5eh1A:
undetectable		 3fl9A-5eh1A:
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ALA A 287
LEU A 284
ALA A 167
ILE A 171
LEU A 263
 None
 1.23A 3fl9A-5fxnA:
undetectable		 3fl9A-5fxnA:
17.13
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.
5gyq SPIKE GLYCOPROTEIN

(Rousettus bat
coronavirus
HKU9) 		PF09408
(Spike_rec_bind) 		5 VAL A 167
ALA A 154
ILE A 156
LEU A 158
PHE A  36
 None
 1.05A 3fl9A-5gyqA:
undetectable		 3fl9A-5gyqA:
18.38
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 ALA A 686
LEU A 728
ALA A 705
ILE A 704
LEU A 629
 None
 1.01A 3fl9A-5h2vA:
undetectable		 3fl9A-5h2vA:
9.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ALA A  74
VAL A 303
ALA A  29
ILE A  33
LEU A  40
 None
 1.17A 3fl9A-5kufA:
3.7		 3fl9A-5kufA:
12.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 5 ALA A 177
LEU A 251
VAL A 173
ALA A 193
ILE A 208
 None
 0.95A 3fl9A-5mqpA:
undetectable		 3fl9A-5mqpA:
13.61
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.
5o63 RESTRICTION
ENDONUCLEASE UBALAI

(unidentified) 		no annotation 5 VAL A 156
ALA A 147
ILE A 148
LEU A 154
PHE A 144
 None
 1.24A 3fl9A-5o63A:
undetectable		 3fl9A-5o63A:
18.54
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.
5tbk IMPORTIN SUBUNIT
ALPHA-3

(Homo sapiens) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		5 LEU A 420
ALA A 477
ILE A 480
LEU A 439
PHE A 485
 None
 1.19A 3fl9A-5tbkA:
undetectable		 3fl9A-5tbkA:
13.37
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.
5uj5 ADRENODOXIN

(Encephalitozoon
cuniculi) 		PF00111
(Fer2) 		5 ALA A 111
LEU A  67
VAL A  39
LEU A  50
PHE A  22
 None
 1.21A 3fl9A-5uj5A:
undetectable		 3fl9A-5uj5A:
24.00
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.
5v0i TRYPTOPHAN--TRNA
LIGASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 ALA A 252
VAL A 186
ALA A 278
ILE A 220
LEU A 189
 None
AMP  A 401 (-4.0A)
None
None
None
 1.07A 3fl9A-5v0iA:
undetectable		 3fl9A-5v0iA:
18.04
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 5 LEU A 480
VAL A 531
ALA A 484
ILE A 550
LEU A 546
 None
 0.98A 3fl9A-5whsA:
undetectable		 3fl9A-5whsA:
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.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 5 MET A 511
LEU A 177
ALA A 193
ILE A 506
LEU A 527
 None
 1.20A 3fl9A-5xexA:
undetectable		 3fl9A-5xexA:
14.13
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.
5y2v RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 5 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
 None
 1.05A 3fl9A-5y2vA:
undetectable		 3fl9A-5y2vA:
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.
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 5 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
 None
 1.11A 3fl9A-5y2wA:
undetectable		 3fl9A-5y2wA:
22.09
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 ALA A 269
GLU A 251
VAL A 143
ILE A 245
LEU A  16
 None
 1.16A 3fl9A-6bvgA:
undetectable		 3fl9A-6bvgA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  20
VAL A  31
ILE A  50
LEU A  54
PHE A  92
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
 0.65A 3fl9A-6e4eA:
24.9		 3fl9A-6e4eA:
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.
6fu4 PROBABLE CHEMOTAXIS
TRANSDUCER

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 327
ALA A  66
ILE A  69
LEU A 245
PHE A  73
 None
 1.21A 3fl9A-6fu4A:
undetectable		 3fl9A-6fu4A:
16.27