SIMILAR PATTERNS OF AMINO ACIDS FOR 3FL9_C_TOPC200_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ALA A   9
ASN A  21
GLU A  30
LEU A  67
THR A 136
 HBI  A 198 ( 3.6A)
None
HBI  A 198 (-3.0A)
None
HBI  A 198 ( 4.5A)
 0.86A 3fl9C-1dr6A:
20.2		 3fl9C-1dr6A:
32.28
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.
1ef9 METHYLMALONYL COA
DECARBOXYLASE

(Escherichia
coli) 		PF00378
(ECH_1) 		5 ALA A 111
VAL A 103
ILE A 177
LEU A 178
PHE A 129
 None
 1.21A 3fl9C-1ef9A:
undetectable		 3fl9C-1ef9A:
19.78
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.
1fnn CELL DIVISION
CONTROL PROTEIN 6

(Pyrobaculum
aerophilum) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 ALA A  73
LEU A  32
LEU A  60
PHE A  75
THR A  71
 None
 1.28A 3fl9C-1fnnA:
undetectable		 3fl9C-1fnnA:
18.21
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.
1gpr GLUCOSE PERMEASE

(Bacillus
subtilis) 		PF00358
(PTS_EIIA_1) 		5 ASN A  62
LEU A 113
VAL A  52
ILE A  60
THR A 129
 None
 1.31A 3fl9C-1gprA:
undetectable		 3fl9C-1gprA:
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.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		5 LEU A 304
ILE A 318
LEU A 320
PHE A 264
THR A 224
 None
 1.26A 3fl9C-1j71A:
undetectable		 3fl9C-1j71A:
16.77
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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		5 ALA A 157
ASN A 189
GLU A 154
LEU A 244
THR A  70
 None
 1.12A 3fl9C-1ks8A:
undetectable		 3fl9C-1ks8A:
17.87
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.
1kyi ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ALA A  67
ASN A  52
ILE A 303
LEU A 103
THR A  64
 None
None
None
None
ATP  A 450 (-3.4A)
 1.31A 3fl9C-1kyiA:
undetectable		 3fl9C-1kyiA:
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.
1n7f AMPA RECEPTOR
INTERACTING PROTEIN
GRIP

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 ALA A 707
LEU A 748
ILE A 686
LEU A 739
THR A 710
 None
 1.28A 3fl9C-1n7fA:
undetectable		 3fl9C-1n7fA:
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ALA A 587
LEU A 600
VAL A 564
ILE A 616
THR A 590
 None
 1.21A 3fl9C-1ofeA:
undetectable		 3fl9C-1ofeA:
7.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p68 DE NOVO DESIGNED
PROTEIN S-824

(Escherichia
coli) 		no annotation 5 MET A  60
LEU A  37
VAL A  40
ILE A  92
LEU A   9
 None
 1.05A 3fl9C-1p68A:
undetectable		 3fl9C-1p68A:
20.48
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPE-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A  62
ILE A  86
LEU A 325
PHE A 372
THR A 114
 None
 1.18A 3fl9C-1qdlA:
undetectable		 3fl9C-1qdlA:
17.81
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ALA A 153
LEU A 129
ILE A 161
LEU A 166
THR A 150
 None
 1.21A 3fl9C-1qgrA:
undetectable		 3fl9C-1qgrA:
12.11
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.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 MET A 624
LEU A 680
VAL A 676
ILE A 664
LEU A 652
 PT  A 862 (-2.2A)
None
None
None
None
 1.20A 3fl9C-1qvrA:
undetectable		 3fl9C-1qvrA:
11.63
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		5 ALA A 412
GLU A 471
VAL A 211
LEU A 343
PHE A 503
 None
 1.27A 3fl9C-1qxpA:
undetectable		 3fl9C-1qxpA:
9.68
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.
1tfp TRANSTHYRETIN

(Gallus gallus) 		PF00576
(Transthyretin) 		5 ALA A 109
VAL A  71
ILE A  55
LEU A  58
THR A 118
 None
 1.22A 3fl9C-1tfpA:
undetectable		 3fl9C-1tfpA:
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.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli) 		PF02541
(Ppx-GppA) 		5 LEU A 444
ILE A 503
LEU A 469
PHE A 471
THR A 452
 None
 1.24A 3fl9C-1u6zA:
undetectable		 3fl9C-1u6zA:
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.
1ur1 ENDOXYLANASE

(Cellvibrio
mixtus) 		PF00331
(Glyco_hydro_10) 		5 ALA A  39
ASN A  54
LEU A  99
PHE A  90
THR A 326
 None
 1.33A 3fl9C-1ur1A:
undetectable		 3fl9C-1ur1A:
17.72
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		5 ALA A 460
VAL A 408
ILE A 437
LEU A 421
PHE A 435
 None
 1.31A 3fl9C-1w5dA:
undetectable		 3fl9C-1w5dA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xec DECORIN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 MET A 119
LEU A 112
ILE A  67
LEU A  83
PHE A  96
 None
 1.28A 3fl9C-1xecA:
undetectable		 3fl9C-1xecA:
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Pyrococcus
abyssi) 		PF00710
(Asparaginase) 		5 ALA A 186
LEU A 201
VAL A 233
ILE A 157
THR A 252
 None
 1.34A 3fl9C-1zq1A:
undetectable		 3fl9C-1zq1A:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cxh PROBABLE BRIX-DOMAIN
RIBOSOMAL BIOGENESIS
PROTEIN

(Aeropyrum
pernix) 		no annotation 5 ALA A 123
VAL A 169
ILE A  39
LEU A  35
PHE A 171
 None
 1.32A 3fl9C-2cxhA:
undetectable		 3fl9C-2cxhA:
23.18
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.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		5 ALA A 301
LEU A 206
VAL A 232
LEU A 119
PHE A 308
 None
 1.22A 3fl9C-2epgA:
undetectable		 3fl9C-2epgA:
17.28
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.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 ALA A  71
LEU A  63
VAL A  65
ILE A  13
LEU A  15
 None
 1.13A 3fl9C-2g04A:
undetectable		 3fl9C-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.
2i58 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 ALA A 287
ASN A 108
VAL A  58
ILE A  64
LEU A  49
 None
 1.30A 3fl9C-2i58A:
undetectable		 3fl9C-2i58A:
19.69
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 ALA A 306
VAL A 278
ILE A 324
LEU A 229
PHE A 251
 None
 0.99A 3fl9C-2iceA:
undetectable		 3fl9C-2iceA:
14.06
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.
2im9 HYPOTHETICAL PROTEIN

(Legionella
pneumophila) 		PF07313
(DUF1460) 		5 ALA A 249
ILE A 264
LEU A 319
PHE A 261
THR A 248
 None
 1.10A 3fl9C-2im9A:
undetectable		 3fl9C-2im9A:
17.42
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 152
LEU A 104
VAL A 166
ILE A 145
LEU A 172
 None
 1.21A 3fl9C-2ji9A:
undetectable		 3fl9C-2ji9A:
15.14
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.
2jok PUTATIVE
G-NUCLEOTIDE
EXCHANGE FACTOR

(Burkholderia
pseudomallei) 		PF07487
(SopE_GEF) 		5 GLU A 180
LEU A 177
VAL A  96
ILE A 104
LEU A 213
 None
 1.23A 3fl9C-2jokA:
undetectable		 3fl9C-2jokA:
17.53
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 ALA A  54
LEU A  42
VAL A  38
ILE A  18
THR A  55
 None
 1.13A 3fl9C-2p4qA:
undetectable		 3fl9C-2p4qA:
15.85
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.
2pjz HYPOTHETICAL PROTEIN
ST1066

(Sulfurisphaera
tokodaii) 		PF00005
(ABC_tran) 		5 ALA A  49
LEU A   4
VAL A   7
ILE A  35
LEU A 204
 None
 1.07A 3fl9C-2pjzA:
undetectable		 3fl9C-2pjzA:
22.18
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.
2pmz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'

(Sulfolobus
solfataricus) 		PF04998
(RNA_pol_Rpb1_5) 		5 ALA C 289
ASN C 275
GLU C 281
VAL C 326
ILE C 110
 None
 1.24A 3fl9C-2pmzC:
undetectable		 3fl9C-2pmzC:
16.92
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) 		5 ALA A   8
GLU A  28
VAL A  32
LEU A  41
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.7A)
None
MTX  A 200 ( 4.4A)
 1.21A 3fl9C-2qk8A:
28.1		 3fl9C-2qk8A:
100.00
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) 		9 MET A   6
ALA A   8
GLU A  28
LEU A  29
VAL A  32
ILE A  51
LEU A  55
PHE A  96
THR A 115
 MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.9A)
MTX  A 200 ( 4.4A)
 0.53A 3fl9C-2qk8A:
28.1		 3fl9C-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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 LEU A 311
ILE A 325
LEU A 327
PHE A 266
THR A 224
 None
 1.34A 3fl9C-2qzwA:
undetectable		 3fl9C-2qzwA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9y ALPHA-2-ANTIPLASMIN

(Mus musculus) 		PF00079
(Serpin) 		5 MET A 275
ALA A 261
LEU A 309
VAL A 384
LEU A 312
 None
 1.13A 3fl9C-2r9yA:
undetectable		 3fl9C-2r9yA:
16.05
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.
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
 0.86A 3fl9C-2rvjA:
undetectable		 3fl9C-2rvjA:
19.50
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  28
ILE A  50
LEU A  54
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.72A 3fl9C-2w9sA:
24.6		 3fl9C-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
 1.27A 3fl9C-2wsmA:
3.1		 3fl9C-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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ALA A 451
LEU A 331
ILE A 470
LEU A 466
PHE A 478
 None
 1.15A 3fl9C-2xr1A:
undetectable		 3fl9C-2xr1A:
13.54
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.
2yq4 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASN A 292
VAL A 241
ILE A 255
LEU A 223
THR A 262
 None
 1.11A 3fl9C-2yq4A:
undetectable		 3fl9C-2yq4A:
20.73
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.
2z80 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 ASN A 311
LEU A 266
VAL A 269
LEU A 282
PHE A 256
 None
 1.29A 3fl9C-2z80A:
undetectable		 3fl9C-2z80A:
17.80
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.
3b9j XANTHINE OXIDASE

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU B 312
VAL B 330
ILE B 407
LEU B 348
PHE B 365
 None
 1.20A 3fl9C-3b9jB:
undetectable		 3fl9C-3b9jB:
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.
3bg0 NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF12110
(Nup96) 		5 LEU B 399
VAL B 403
ILE B 239
LEU B 240
THR B 388
 None
 1.25A 3fl9C-3bg0B:
undetectable		 3fl9C-3bg0B:
17.20
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.
3bxj RAS
GTPASE-ACTIVATING
PROTEIN SYNGAP

(Rattus
norvegicus) 		PF00168
(C2)
PF00616
(RasGAP) 		5 LEU A 436
VAL A 409
LEU A 681
PHE A 405
THR A 443
 None
 1.34A 3fl9C-3bxjA:
undetectable		 3fl9C-3bxjA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dmn PUTATIVE DNA
HELICASE

(Lactobacillus
plantarum) 		PF13538
(UvrD_C_2) 		5 ALA A 737
LEU A 743
VAL A 713
ILE A 611
LEU A 730
 None
 1.23A 3fl9C-3dmnA:
undetectable		 3fl9C-3dmnA:
20.21
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 ALA A 207
LEU A 230
ILE A 239
LEU A 276
PHE A 212
 None
 1.27A 3fl9C-3dwkA:
undetectable		 3fl9C-3dwkA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ehc SNOAL-LIKE
POLYKETIDE CYCLASE

(Agrobacterium
fabrum) 		PF07366
(SnoaL) 		5 ASN A  16
GLU A  99
LEU A  75
VAL A 101
LEU A  64
 None
 1.31A 3fl9C-3ehcA:
undetectable		 3fl9C-3ehcA:
21.69
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.
3euh CHROMOSOME PARTITION
PROTEIN MUKF

(Escherichia
coli) 		PF03882
(KicB)
PF17192
(MukF_M)
PF17193
(MukF_C) 		5 LEU A 129
VAL A 132
ILE A 263
LEU A 260
PHE A 168
 None
 1.12A 3fl9C-3euhA:
undetectable		 3fl9C-3euhA:
17.29
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.
3f0h AMINOTRANSFERASE

([Eubacterium]
rectale) 		PF00266
(Aminotran_5) 		5 ALA A 299
LEU A 351
ILE A 316
LEU A 344
THR A 298
 None
 1.23A 3fl9C-3f0hA:
undetectable		 3fl9C-3f0hA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fcg F1 CAPSULE-ANCHORING
PROTEIN

(Yersinia pestis) 		PF00577
(Usher) 		5 ALA A 257
ASN A 270
GLU A 298
PHE A 278
THR A 255
 None
 1.26A 3fl9C-3fcgA:
undetectable		 3fl9C-3fcgA:
22.35
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.
3ft9 PHL P 3 ALLERGEN

(Phleum pratense) 		PF01357
(Pollen_allerg_1) 		5 GLU A  44
LEU A  35
VAL A  55
ILE A  83
LEU A  19
 None
 1.29A 3fl9C-3ft9A:
undetectable		 3fl9C-3ft9A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fyf PROTEIN BVU-3222

(Bacteroides
vulgatus) 		PF14059
(DUF4251) 		5 ALA A 102
ASN A 109
VAL A  83
ILE A  79
THR A  87
 None
 1.14A 3fl9C-3fyfA:
undetectable		 3fl9C-3fyfA:
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.
3gms PUTATIVE
NADPH:QUINONE
REDUCTASE

(Bacillus
thuringiensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASN A 149
LEU A 231
ILE A 216
LEU A 138
THR A 207
 None
 0.99A 3fl9C-3gmsA:
3.3		 3fl9C-3gmsA:
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.
3hdu PUTATIVE
THIOESTERASE

(Syntrophus
aciditrophicus) 		PF03061
(4HBT) 		5 MET A  47
VAL A  64
ILE A 146
LEU A 138
PHE A 118
 None
 1.24A 3fl9C-3hduA:
undetectable		 3fl9C-3hduA:
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.
3hm4 CHEMOTAXIS PROTEIN
CHEX

(Desulfovibrio
alaskensis) 		PF13690
(CheX) 		5 ALA A  15
LEU A 106
ILE A  51
LEU A 154
THR A  14
 None
 1.30A 3fl9C-3hm4A:
undetectable		 3fl9C-3hm4A:
22.81
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) 		6 ALA X   7
VAL X  31
ILE X  50
LEU X  54
PHE X  92
THR X 111
 N22  X 219 ( 3.6A)
None
N22  X 219 (-4.6A)
None
N22  X 219 ( 3.7A)
N22  X 219 (-4.4A)
 0.81A 3fl9C-3i8aX:
24.9		 3fl9C-3i8aX:
46.34
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) 		6 LEU X  28
VAL X  31
ILE X  50
LEU X  54
PHE X  92
THR X 111
 N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
None
N22  X 219 ( 3.7A)
N22  X 219 (-4.4A)
 0.71A 3fl9C-3i8aX:
24.9		 3fl9C-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) 		6 ALA A   8
GLU A  28
LEU A  29
ILE A  51
LEU A  55
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-4.3A)
 0.71A 3fl9C-3ia4A:
25.5		 3fl9C-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.
3ief TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Bartonella
henselae) 		PF01746
(tRNA_m1G_MT) 		5 ALA A 142
LEU A  92
VAL A 129
ILE A 150
LEU A 100
 None
 1.12A 3fl9C-3iefA:
undetectable		 3fl9C-3iefA:
22.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A  10
GLU A  30
LEU A  31
LEU A  58
THR A 119
 MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.69A 3fl9C-3ix9A:
24.7		 3fl9C-3ix9A:
36.98
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.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 GLU B 116
LEU B 117
ILE B 336
LEU B 124
PHE B 279
 None
 1.32A 3fl9C-3jcmB:
undetectable		 3fl9C-3jcmB:
15.40
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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 186
LEU A 222
ILE A 347
LEU A 206
THR A 196
 None
 1.15A 3fl9C-3l8kA:
undetectable		 3fl9C-3l8kA:
14.83
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.
3pdw UNCHARACTERIZED
HYDROLASE YUTF

(Bacillus
subtilis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 LEU A 204
VAL A 206
ILE A 258
LEU A  34
PHE A  30
 None
 0.96A 3fl9C-3pdwA:
undetectable		 3fl9C-3pdwA:
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.
3siu U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP31

(Homo sapiens) 		PF01798
(Nop) 		5 ALA B 171
LEU B 142
ILE B 164
LEU B 159
THR B 174
 None
 1.10A 3fl9C-3siuB:
undetectable		 3fl9C-3siuB:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqn CONSERVED DOMAIN
PROTEIN

(Enterococcus
faecalis) 		PF05043
(Mga) 		5 ALA A 387
LEU A 300
VAL A 297
LEU A 360
THR A 312
 None
 1.29A 3fl9C-3sqnA:
undetectable		 3fl9C-3sqnA:
15.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ALA A   8
LEU A  29
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.53A 3fl9C-3tq9A:
24.5		 3fl9C-3tq9A:
38.20
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.
3unv ADMH

(Pantoea
agglomerans) 		PF00221
(Lyase_aromatic) 		5 ALA A 487
LEU A 506
VAL A 246
ILE A 530
LEU A 535
 None
 1.29A 3fl9C-3unvA:
undetectable		 3fl9C-3unvA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zbq PHIKZ039

(Pseudomonas
virus phiKZ) 		no annotation 5 ASN A 281
VAL A 131
ILE A 285
LEU A 148
PHE A 151
 None
 1.25A 3fl9C-3zbqA:
undetectable		 3fl9C-3zbqA:
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.
4a4p CYTOHESIN1

(Homo sapiens) 		PF01369
(Sec7) 		5 ALA A 115
ASN A 127
ILE A 101
LEU A  94
PHE A 104
 None
 1.30A 3fl9C-4a4pA:
undetectable		 3fl9C-4a4pA:
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 402
LEU A 487
VAL A 490
ILE A 395
LEU A 514
 None
 1.14A 3fl9C-4c2tA:
undetectable		 3fl9C-4c2tA:
12.35
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.
4ce7 UNSATURATED
3S-RHAMNOGLYCURONYL
HYDROLASE

(Nonlabens
ulvanivorans) 		PF07470
(Glyco_hydro_88) 		5 ASN A 103
LEU A 159
VAL A 156
LEU A 230
THR A 115
 None
 1.32A 3fl9C-4ce7A:
undetectable		 3fl9C-4ce7A:
17.20
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
BETA
F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF00037
(Fer4)
PF01058
(Oxidored_q6)
PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		5 ALA C 101
ASN C 137
VAL C  82
ILE B 221
THR C  99
 None
SF4  C1282 ( 3.7A)
None
SF4  C1282 ( 3.6A)
None
 1.34A 3fl9C-4ci0C:
undetectable		 3fl9C-4ci0C:
20.89
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.
4eme M18 ASPARTYL
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF02127
(Peptidase_M18) 		5 LEU A 153
VAL A 152
ILE A  95
LEU A 281
THR A 306
 None
 1.25A 3fl9C-4emeA:
undetectable		 3fl9C-4emeA:
14.01
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.
4gbq GRB2

(Mus musculus) 		PF00018
(SH3_1) 		5 ALA A  11
GLU A  16
LEU A  25
PHE A  19
THR A  12
 None
 1.34A 3fl9C-4gbqA:
undetectable		 3fl9C-4gbqA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF01118
(Semialdhyde_dh)
PF07836
(DmpG_comm)
PF09290
(AcetDehyd-dimer) 		5 ASN B 241
VAL B 151
ILE A 328
PHE B 207
THR B 132
 None
 1.23A 3fl9C-4jn6B:
undetectable		 3fl9C-4jn6B:
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.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis) 		PF00696
(AA_kinase) 		5 ALA A  45
LEU A 305
VAL A 302
ILE A   9
LEU A 235
 None
 1.11A 3fl9C-4jz7A:
undetectable		 3fl9C-4jz7A:
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.
4k48 LEUCINE--TRNA LIGASE

(Streptococcus
pneumoniae) 		PF13603
(tRNA-synt_1_2) 		5 ALA A 256
VAL A 361
ILE A 396
LEU A 384
THR A 257
 None
 1.33A 3fl9C-4k48A:
undetectable		 3fl9C-4k48A:
20.18
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.
4ol0 TRANSPORTIN-3

(Homo sapiens) 		PF08389
(Xpo1) 		5 ALA B 244
LEU B 228
VAL B 231
ILE B 298
LEU B 276
 None
 1.12A 3fl9C-4ol0B:
undetectable		 3fl9C-4ol0B:
10.97
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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 LEU A   4
VAL A  76
ILE A  14
LEU A  90
PHE A  43
 None
 1.10A 3fl9C-4s17A:
undetectable		 3fl9C-4s17A:
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.
4w9u ACYL-COA
DEHYDROGENASE

(Brucella
abortus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLU A  22
LEU A  84
VAL A  80
ILE A 306
THR A  19
 None
 1.31A 3fl9C-4w9uA:
undetectable		 3fl9C-4w9uA:
16.84
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.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Streptococcus
mutans) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 MET A  20
ILE A  48
LEU A  40
PHE A  19
THR A  22
 None
 1.17A 3fl9C-4xb3A:
undetectable		 3fl9C-4xb3A:
15.54
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.
4xkj D-LACTATE
DEHYDROGENASE

(Sporolactobacillus
inulinus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASN A 289
VAL A 238
ILE A 252
LEU A 220
THR A 259
 None
 1.11A 3fl9C-4xkjA:
undetectable		 3fl9C-4xkjA:
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Schizosaccharomyces
pombe) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		5 ALA I 365
LEU I 384
ILE I 401
LEU I  34
THR I 348
 None
 1.00A 3fl9C-5b04I:
undetectable		 3fl9C-5b04I:
11.80
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.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		5 MET A 205
LEU A 215
VAL A 213
ILE A 193
PHE A 201
 None
 1.17A 3fl9C-5bxpA:
undetectable		 3fl9C-5bxpA:
12.65
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.
5c1b TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Homo sapiens) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2)
PF09336
(Vps4_C) 		5 ALA A 685
LEU A 526
ILE A 645
LEU A 482
THR A 688
 AGS  A 902 (-3.5A)
AGS  A 902 (-3.9A)
None
AGS  A 902 ( 4.7A)
AGS  A 902 (-3.1A)
 1.27A 3fl9C-5c1bA:
undetectable		 3fl9C-5c1bA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1y PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX41

(Homo sapiens) 		PF00270
(DEAD) 		5 ALA A 389
LEU A 343
ILE A 361
LEU A 261
PHE A 365
 None
 1.30A 3fl9C-5h1yA:
undetectable		 3fl9C-5h1yA:
21.25
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.
5h28 OXYSTEROL-BINDING
PROTEIN HOMOLOG 1

(Saccharomyces
cerevisiae) 		PF13637
(Ank_4) 		5 LEU A  56
VAL A  72
ILE A 112
PHE A 115
THR A 121
 None
 1.20A 3fl9C-5h28A:
undetectable		 3fl9C-5h28A:
19.84
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 ASN A 698
ILE A 671
LEU A 669
PHE A 659
THR A 704
 None
 1.27A 3fl9C-5hdhA:
undetectable		 3fl9C-5hdhA:
11.83
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A 234
LEU A  47
VAL A  50
LEU A 112
THR A 235
 None
 1.25A 3fl9C-5keiA:
undetectable		 3fl9C-5keiA:
13.36
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.
5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 LEU A 221
ILE A  56
LEU A  49
PHE A  51
THR A 227
 None
 1.19A 3fl9C-5kreA:
undetectable		 3fl9C-5kreA:
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.
5msx PUTATIVE
ENDO-1,4-BETA-XYLANA
SE

(Bacteroides
thetaiotaomicron) 		PF00754
(F5_F8_type_C)
PF04616
(Glyco_hydro_43) 		5 ALA A  38
LEU A  30
VAL A 291
LEU A 315
PHE A 265
 None
 1.29A 3fl9C-5msxA:
undetectable		 3fl9C-5msxA:
15.69
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 ALA A 563
LEU A 407
ILE A 578
LEU A 461
THR A 562
 None
None
None
None
NAG  A1130 ( 4.9A)
 1.25A 3fl9C-5nbsA:
undetectable		 3fl9C-5nbsA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o2u CAPSID PROTEIN P24
VHH 59H10

(Human
immunodeficiency
virus 1;
Lama glama) 		PF00607
(Gag_p24)
PF07686
(V-set) 		5 ALA A 209
GLU A 213
VAL B  58
PHE B  47
THR A 210
 None
 1.21A 3fl9C-5o2uA:
undetectable		 3fl9C-5o2uA:
14.08
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.
5vlq LOC100158544 PROTEIN

(Xenopus
tropicalis) 		PF03133
(TTL) 		5 VAL A 549
ILE A  38
LEU A  42
PHE A 114
THR A 395
 None
 1.29A 3fl9C-5vlqA:
undetectable		 3fl9C-5vlqA:
15.30
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.
5wyp DNA POLYMERASE III
SUBUNIT BETA

(Caulobacter
vibrioides) 		no annotation 5 ALA A  37
LEU A  89
ILE A  33
LEU A  14
PHE A  44
 None
 1.11A 3fl9C-5wypA:
undetectable		 3fl9C-5wypA:
19.76
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.
5y2v RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 6 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
THR A 201
 None
None
None
None
None
PO4  A 401 (-4.0A)
 1.31A 3fl9C-5y2vA:
2.2		 3fl9C-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 6 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
THR A 201
 None
None
None
None
None
PGA  A 401 (-3.6A)
 1.42A 3fl9C-5y2wA:
undetectable		 3fl9C-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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 5 MET A 166
LEU A 187
ILE A 162
LEU A 352
PHE A 164
 None
 1.22A 3fl9C-6c01A:
undetectable		 3fl9C-6c01A:
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.
6e4e -

(-) 		no annotation 7 ALA A   7
LEU A  28
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.74A 3fl9C-6e4eA:
24.9		 3fl9C-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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 5 ALA D 385
VAL D 477
ILE D 454
LEU D 451
PHE D 395
 None
 1.31A 3fl9C-6eq8D:
undetectable		 3fl9C-6eq8D:
18.67