SIMILAR PATTERNS OF AMINO ACIDS FOR 5DX3_A_ESTA601

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.
1a2v METHYLAMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 ALA A 440
GLU A 438
ARG A 213
GLY A 306
HIS A 456
 None
None
None
None
CU  A   1 (-3.3A)
 1.14A 5dx3A-1a2vA:
undetectable		 5dx3A-1a2vA:
17.57
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.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
GLY A  14
 None
 1.27A 5dx3A-1cj2A:
0.0		 5dx3A-1cj2A:
20.40
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.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
LEU A 109
 None
 1.39A 5dx3A-1cj2A:
0.0		 5dx3A-1cj2A:
20.40
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 MET A 440
LEU A 240
LEU A 270
GLY A 403
LEU A 404
 None
 1.40A 5dx3A-1dgjA:
0.0		 5dx3A-1dgjA:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h9m MOLYBDENUM-BINDING-P
ROTEIN

(Azotobacter
vinelandii) 		PF03459
(TOBE) 		5 LEU A  41
ALA A  23
GLU A  18
LEU A  16
LEU A 138
 None
 1.38A 5dx3A-1h9mA:
undetectable		 5dx3A-1h9mA:
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.
1hg3 TRIOSEPHOSPHATE
ISOMERASE

(Pyrococcus
woesei) 		PF00121
(TIM)
PF05690
(ThiG) 		5 ALA A  83
GLU A  82
LEU A  80
ARG A 112
GLY A  77
 None
 1.36A 5dx3A-1hg3A:
undetectable		 5dx3A-1hg3A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 LEU A  49
ALA A  46
LEU A  60
GLY A  66
LEU A  67
 None
 1.27A 5dx3A-1i0aA:
0.1		 5dx3A-1i0aA:
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.
1lnz SPO0B-ASSOCIATED
GTP-BINDING PROTEIN

(Bacillus
subtilis) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 LEU A 158
ALA A 159
LEU A 197
GLY A 215
LEU A 213
 None
 1.36A 5dx3A-1lnzA:
undetectable		 5dx3A-1lnzA:
23.17
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.
1mn6 POLYKETIDE SYNTHASE
IV

(Streptomyces
venezuelae) 		PF00975
(Thioesterase) 		5 MET A 271
ALA A 282
LEU A 233
GLY A 146
HIS A 147
 None
 1.25A 5dx3A-1mn6A:
undetectable		 5dx3A-1mn6A:
20.75
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 LEU A  31
GLU A 453
ARG A  79
GLY A 232
LEU A 234
 None
 1.29A 5dx3A-1o5wA:
undetectable		 5dx3A-1o5wA:
17.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 343
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
GLY A 521
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 ( 4.8A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 (-3.7A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.27A 5dx3A-1pcgA:
37.8		 5dx3A-1pcgA:
98.36
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.
1q5q PROTEASOME
ALPHA-TYPE SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 MET A  13
LEU A  19
ALA A  20
GLU A 119
GLY A 108
 None
 0.98A 5dx3A-1q5qA:
undetectable		 5dx3A-1q5qA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME
ALPHA-TYPE SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 MET A  13
LEU A  19
ALA A  20
GLU A 119
GLY A 145
 None
 1.29A 5dx3A-1q5qA:
undetectable		 5dx3A-1q5qA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q9j POLYKETIDE SYNTHASE
ASSOCIATED PROTEIN 5

(Mycobacterium
tuberculosis) 		PF00668
(Condensation)
PF16911
(PapA_C) 		5 LEU A 247
ALA A 243
GLY A 230
HIS A 233
LEU A 235
 None
 1.24A 5dx3A-1q9jA:
undetectable		 5dx3A-1q9jA:
21.53
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		5 LEU A 459
ALA A 456
LEU A 421
GLY A 448
HIS A  18
 None
 1.38A 5dx3A-1w5dA:
undetectable		 5dx3A-1w5dA:
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.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 LEU A  75
GLU A  78
ARG A  88
GLY A 242
LEU A 248
 MPD  A3003 (-4.7A)
None
None
None
None
 1.26A 5dx3A-1wz8A:
undetectable		 5dx3A-1wz8A:
23.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 327
GLU A 331
LEU A 365
ARG A 372
HIS A 494
 None
 0.53A 5dx3A-1xb7A:
28.8		 5dx3A-1xb7A:
32.32
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.
1y7i SALICYLIC
ACID-BINDING PROTEIN
2

(Nicotiana
tabacum) 		PF12697
(Abhydrolase_6) 		5 MET A 239
LEU A 248
LEU A   9
GLY A  16
HIS A  15
 None
 1.15A 5dx3A-1y7iA:
undetectable		 5dx3A-1y7iA:
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.
1z7c CHORIONIC
SOMATOMAMMOTROPIN
HORMONE

(Homo sapiens) 		PF00103
(Hormone_1) 		5 LEU A  23
ALA A  20
LEU A 114
GLY A 120
HIS A  12
 None
 1.26A 5dx3A-1z7cA:
undetectable		 5dx3A-1z7cA:
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 ALA A  90
GLU A  93
LEU A  94
GLY A  35
LEU A  36
 None
 1.37A 5dx3A-2c4mA:
undetectable		 5dx3A-2c4mA:
16.14
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.
2d7s RNA-DEPENDENT RNA
POLYMERASE

(Foot-and-mouth
disease virus) 		PF00680
(RdRP_1) 		5 LEU A 108
ALA A 201
GLY A  90
HIS A  86
LEU A  89
 None
 1.41A 5dx3A-2d7sA:
undetectable		 5dx3A-2d7sA:
19.62
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.
2e9f ARGININOSUCCINATE
LYASE

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 LEU A  46
ALA A  43
LEU A  57
GLY A  63
LEU A  64
 None
 1.30A 5dx3A-2e9fA:
undetectable		 5dx3A-2e9fA:
22.34
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.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		5 LEU A  60
ALA A  61
LEU A  46
MET A  47
LEU A  35
 None
 1.29A 5dx3A-2epgA:
undetectable		 5dx3A-2epgA:
19.22
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.
2fe1 CONSERVED
HYPOTHETICAL PROTEIN
PAE0151

(Pyrobaculum
aerophilum) 		PF01850
(PIN) 		5 LEU A  38
ALA A  39
GLU A  42
HIS A  34
LEU A  75
 None
 1.16A 5dx3A-2fe1A:
undetectable		 5dx3A-2fe1A:
20.74
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.
2fvg ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 ALA A 160
GLU A 155
LEU A 315
GLY A 239
LEU A 238
 None
 1.16A 5dx3A-2fvgA:
undetectable		 5dx3A-2fvgA:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 271
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 ( 4.4A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.51A 5dx3A-2gpvA:
27.6		 5dx3A-2gpvA:
36.40
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.
2lbp LEUCINE-BINDING
PROTEIN

(Escherichia
coli) 		PF13458
(Peripla_BP_6) 		5 MET A  96
LEU A 287
ALA A 283
GLY A   9
HIS A  76
 None
 1.32A 5dx3A-2lbpA:
undetectable		 5dx3A-2lbpA:
21.91
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.
2liv LEUCINE

(Escherichia
coli) 		PF13458
(Peripla_BP_6) 		5 MET A  96
LEU A 287
ALA A 283
GLY A   9
HIS A  76
 None
 1.41A 5dx3A-2livA:
undetectable		 5dx3A-2livA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mr7 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00550
(PP-binding) 		5 LEU A  15
LEU A  47
GLY A  39
HIS A  35
LEU A  37
 None
 1.30A 5dx3A-2mr7A:
undetectable		 5dx3A-2mr7A:
17.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 343
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
GLY A 521
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 (-4.0A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.40A 5dx3A-2ocfA:
37.3		 5dx3A-2ocfA:
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.
2pmp 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Arabidopsis
thaliana) 		PF02542
(YgbB) 		5 LEU A  86
ALA A  83
GLU A  82
GLY A 124
LEU A 123
 None
 1.13A 5dx3A-2pmpA:
undetectable		 5dx3A-2pmpA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 321
ALA A 317
LEU A 353
HIS A 266
LEU A 306
 None
 1.33A 5dx3A-2wskA:
undetectable		 5dx3A-2wskA:
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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 524
LEU A 493
MET A 492
GLY A 575
LEU A 582
 None
None
None
PGR  A1742 (-4.2A)
None
 1.33A 5dx3A-2xe4A:
undetectable		 5dx3A-2xe4A:
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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 671
GLU A  68
LEU A 689
ARG A 678
GLY A 600
 None
None
None
None
PGR  A1742 (-3.5A)
 1.33A 5dx3A-2xe4A:
undetectable		 5dx3A-2xe4A:
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.
2y5c ADRENODOXIN-LIKE
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00111
(Fer2) 		5 ALA A 100
GLU A 101
ARG A  17
GLY A  22
LEU A  93
 None
 1.34A 5dx3A-2y5cA:
undetectable		 5dx3A-2y5cA:
18.32
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.
2yy5 TRYPTOPHANYL-TRNA
SYNTHETASE

(Mycoplasma
pneumoniae) 		PF00579
(tRNA-synt_1b) 		5 ALA A 288
GLU A 291
LEU A 265
GLY A 270
LEU A 273
 None
 1.19A 5dx3A-2yy5A:
undetectable		 5dx3A-2yy5A:
23.55
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.
2yzm D-ALANINE--D-ALANINE
LIGASE

(Thermus
thermophilus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 LEU A 237
ALA A 240
GLU A 215
LEU A 198
GLY A 201
 None
 1.30A 5dx3A-2yzmA:
undetectable		 5dx3A-2yzmA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b77 UNCHARACTERIZED
PROTEIN

(Exiguobacterium
sibiricum) 		PF08000
(bPH_1)
PF11724
(YvbH_ext) 		5 LEU A  59
ALA A  58
GLY A  38
HIS A  35
LEU A  34
 None
 1.19A 5dx3A-3b77A:
undetectable		 5dx3A-3b77A:
22.75
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.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 ALA A  82
GLU A  86
ARG A 206
GLY A  51
HIS A  50
 None
 1.19A 5dx3A-3b89A:
undetectable		 5dx3A-3b89A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dip ENOLASE

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 310
LEU A 282
MET A 281
GLY A 269
LEU A 292
 None
 1.31A 5dx3A-3dipA:
undetectable		 5dx3A-3dipA:
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.
3dqz ALPHA-HYDROXYNITRILE
LYASE-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 MET A 237
LEU A 246
LEU A   9
GLY A  16
HIS A  15
 None
 1.18A 5dx3A-3dqzA:
undetectable		 5dx3A-3dqzA:
21.64
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.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA X 319
GLU X 318
LEU X 314
ARG X  11
GLY X 220
 None
 1.08A 5dx3A-3e3bX:
undetectable		 5dx3A-3e3bX:
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.
3fd5 SELENIDE, WATER
DIKINASE 1

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ALA A 155
GLU A 154
LEU A 247
ARG A 101
LEU A 111
 None
 1.30A 5dx3A-3fd5A:
undetectable		 5dx3A-3fd5A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 LEU A 246
ALA A 247
LEU A 163
GLY A 213
LEU A 209
 None
 1.32A 5dx3A-3l0zA:
undetectable		 5dx3A-3l0zA:
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.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 290
GLU A 294
LEU A 295
ARG A 237
GLY A 214
 None
 1.40A 5dx3A-3mruA:
undetectable		 5dx3A-3mruA:
18.65
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.
3n53 RESPONSE REGULATOR
RECEIVER MODULATED
DIGUANYLATE CYCLASE

(Pelobacter
carbinolicus) 		PF00072
(Response_reg) 		5 LEU A  37
GLU A  33
LEU A  62
GLY A  96
LEU A  77
 None
 1.20A 5dx3A-3n53A:
undetectable		 5dx3A-3n53A:
23.64
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ALA A 654
GLU A 655
ARG A 649
GLY A 474
LEU A 510
 None
None
None
C8E  A1001 (-4.3A)
None
 1.30A 5dx3A-3v8xA:
undetectable		 5dx3A-3v8xA:
12.44
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		5 GLU A 813
LEU A 798
MET A 799
ARG A 801
GLY A 833
 None
 1.33A 5dx3A-3wqyA:
0.5		 5dx3A-3wqyA:
13.88
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.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		5 ALA A  78
GLU A  81
LEU A 167
GLY A 160
LEU A 159
 None
 1.35A 5dx3A-3wrtA:
undetectable		 5dx3A-3wrtA:
24.61
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.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		5 LEU A  77
ALA A  78
GLU A  81
LEU A 167
LEU A 159
 None
 1.24A 5dx3A-3wrtA:
undetectable		 5dx3A-3wrtA:
24.61
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 510
LEU A 479
MET A 478
GLY A 561
LEU A 568
 None
 1.34A 5dx3A-4bp8A:
undetectable		 5dx3A-4bp8A:
16.06
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.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		5 LEU A  81
ALA A  77
LEU A 138
GLY A 144
LEU A 148
 None
 1.35A 5dx3A-4c6yA:
undetectable		 5dx3A-4c6yA:
23.10
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.
4doo CHALCONE-FLAVANONE
ISOMERASE FAMILY
PROTEIN

(Arabidopsis
thaliana) 		PF16035
(Chalcone_2) 		5 LEU A  25
ALA A 199
LEU A  80
MET A  81
GLY A 183
 None
 1.39A 5dx3A-4dooA:
undetectable		 5dx3A-4dooA:
23.79
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 LEU N 376
ALA N 372
LEU M 150
GLY M 155
LEU M 157
 None
 1.13A 5dx3A-4heaN:
undetectable		 5dx3A-4heaN:
21.40
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT
PREDICTED MEMBRANE
PROTEIN

(Lactobacillus
brevis) 		PF02361
(CbiQ)
PF07155
(ECF-ribofla_trS) 		5 ALA T 175
GLU T 174
LEU T 208
ARG T 215
GLY S  43
 None
 1.28A 5dx3A-4hzuT:
undetectable		 5dx3A-4hzuT:
21.92
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT
PREDICTED MEMBRANE
PROTEIN

(Lactobacillus
brevis) 		PF02361
(CbiQ)
PF07155
(ECF-ribofla_trS) 		5 ALA T 175
GLU T 174
LEU T 208
ARG T 215
LEU S  39
 None
 1.30A 5dx3A-4hzuT:
undetectable		 5dx3A-4hzuT:
21.92
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.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 ALA A 400
GLU A 397
LEU A 477
ARG A 221
GLY A 482
 None
 1.37A 5dx3A-4i7iA:
undetectable		 5dx3A-4i7iA:
19.26
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.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 LEU A 477
ALA A 256
GLU A 397
LEU A 259
GLY A 288
 None
 1.40A 5dx3A-4i7iA:
undetectable		 5dx3A-4i7iA:
19.26
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 LEU A 213
ALA A 212
LEU A 368
GLY A 303
LEU A 301
 None
 1.30A 5dx3A-4iheA:
undetectable		 5dx3A-4iheA:
19.62
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.
4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE

(Trypanosoma
cruzi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A 123
GLU A 122
LEU A  96
ARG A 116
LEU A 110
 None
 1.36A 5dx3A-4iv5A:
undetectable		 5dx3A-4iv5A:
21.79
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.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		5 LEU A 362
ALA A 363
GLU A 366
GLY A 289
LEU A 285
 HEM  A 502 ( 4.6A)
HEM  A 502 (-2.9A)
None
None
None
 1.31A 5dx3A-4j6cA:
2.4		 5dx3A-4j6cA:
21.52
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.
4jjn HISTONE H2A.2
HISTONE H2B.2

(Saccharomyces
cerevisiae) 		PF00125
(Histone)
PF16211
(Histone_H2A_C) 		5 LEU D  83
ALA D  80
GLU D  79
GLY C  38
LEU C  35
 None
 1.29A 5dx3A-4jjnD:
undetectable		 5dx3A-4jjnD:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA E 318
GLU E 317
LEU E 313
ARG E  10
GLY E 219
 None
 1.08A 5dx3A-4md8E:
undetectable		 5dx3A-4md8E:
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.
4n1j NACHT, LRR AND PYD
DOMAINS-CONTAINING
PROTEIN 14

(Homo sapiens) 		PF02758
(PYRIN) 		5 ALA A  53
GLU A  49
LEU A  61
MET A  62
LEU A  27
 None
 1.40A 5dx3A-4n1jA:
undetectable		 5dx3A-4n1jA:
18.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 286
ALA A 287
GLU A 290
LEU A 324
ARG A 331
GLY A 444
 None
 1.09A 5dx3A-4n1yA:
32.0		 5dx3A-4n1yA:
38.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 286
ALA A 287
GLU A 290
LEU A 324
ARG A 331
GLY A 447
 None
 0.51A 5dx3A-4n1yA:
32.0		 5dx3A-4n1yA:
38.91
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.
4n8g TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens) 		PF03480
(DctP) 		5 LEU A  56
ALA A 270
GLU A 269
LEU A 273
HIS A  47
 None
 1.32A 5dx3A-4n8gA:
undetectable		 5dx3A-4n8gA:
20.33
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		5 MET A 213
LEU A 219
ALA A 220
LEU A 195
HIS A 239
 None
 1.35A 5dx3A-4nq1A:
undetectable		 5dx3A-4nq1A:
22.51
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.
4q5n GLUTHATIONE
S-TRANSFERASE BLO T
8 ISOFORM

(Blomia
tropicalis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 MET A  90
GLU A 105
LEU A 171
HIS A  24
LEU A  21
 None
 1.38A 5dx3A-4q5nA:
undetectable		 5dx3A-4q5nA:
21.94
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.
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 MET A  96
LEU A 279
ALA A 275
GLY A   9
HIS A  76
 None
 1.32A 5dx3A-4qwvA:
undetectable		 5dx3A-4qwvA:
22.36
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.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 LEU A  41
ALA A  42
LEU A  15
GLY A 218
HIS A 219
 None
 1.36A 5dx3A-4u3wA:
undetectable		 5dx3A-4u3wA:
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 LEU A 406
ALA A 407
GLU A 410
HIS A 449
LEU A 447
 None
 1.11A 5dx3A-4u98A:
undetectable		 5dx3A-4u98A:
19.22
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.
4umz CYTOCHROME P450
HYDROXYLASE PIKC

(Streptomyces
venezuelae) 		PF00067
(p450) 		5 LEU A 359
ALA A 360
GLU A 363
GLY A 288
LEU A 284
 HEM  A1407 ( 4.6A)
HEM  A1407 (-3.3A)
None
None
None
 1.33A 5dx3A-4umzA:
2.2		 5dx3A-4umzA:
20.41
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.
4ynv ACL4

(Chaetomium
thermophilum) 		PF13432
(TPR_16) 		5 LEU A  40
ALA A  37
GLY A  75
HIS A  78
LEU A  74
 None
 1.22A 5dx3A-4ynvA:
undetectable		 5dx3A-4ynvA:
20.66
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.
4zh7 OUTER MEMBRANE
PROTEIN-ADHESIN

(Helicobacter
pylori) 		no annotation 5 MET A 314
LEU A 263
ALA A 266
LEU A 163
GLY A  95
 None
 1.30A 5dx3A-4zh7A:
undetectable		 5dx3A-4zh7A:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zk6 QUINOLINATE SYNTHASE
A

(Pyrococcus
horikoshii) 		PF02445
(NadA) 		5 MET A  61
LEU A  68
ALA A  45
GLY A  36
HIS A  21
 NTM  A 402 (-3.5A)
None
None
None
NTM  A 402 ( 3.9A)
 1.13A 5dx3A-4zk6A:
undetectable		 5dx3A-4zk6A:
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.
5a0k LABDANE-RELATED
DITERPENE SYNTHASE

(Streptomyces
sp.) 		no annotation 5 LEU A  77
ALA A  80
GLU A  81
ARG A 138
GLY A 197
 None
 1.31A 5dx3A-5a0kA:
undetectable		 5dx3A-5a0kA:
24.17
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.
5cec BD3460

(Bdellovibrio
bacteriovorus) 		PF12796
(Ank_2) 		5 LEU B  83
GLU B 114
LEU B  76
GLY B  40
LEU B  42
 None
None
SO4  B 301 (-4.4A)
None
None
 1.32A 5dx3A-5cecB:
undetectable		 5dx3A-5cecB:
23.10
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.
5e8c UL31

(Suid
alphaherpesvirus
1) 		PF02718
(Herpes_UL31) 		5 LEU A  65
ALA A  68
LEU A  83
GLY A  86
HIS A 190
 None
None
None
ZN  A 300 ( 4.8A)
None
 1.41A 5dx3A-5e8cA:
undetectable		 5dx3A-5e8cA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 LEU B 716
ALA B 713
MET B 710
GLY B 815
LEU B 817
 None
 1.31A 5dx3A-5eduB:
undetectable		 5dx3A-5eduB:
15.59
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.
5f9a ADHESIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN,ADHESIN,ADHE
SIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 MET A 308
LEU A 260
ALA A 263
LEU A 163
GLY A  95
 None
 1.32A 5dx3A-5f9aA:
undetectable		 5dx3A-5f9aA:
17.57
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 LEU A 208
ALA A 204
GLU A 178
LEU A 174
LEU A 229
 None
 1.38A 5dx3A-5hfjA:
undetectable		 5dx3A-5hfjA:
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 213
ALA A 214
GLU A 217
ARG A  95
LEU A 195
 None
 1.29A 5dx3A-5iq0A:
undetectable		 5dx3A-5iq0A:
22.62
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.
5k9x TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Legionella
pneumophila) 		PF00290
(Trp_syntA) 		5 MET A 261
ALA A  45
LEU A  48
GLY A 233
LEU A 236
 None
 1.31A 5dx3A-5k9xA:
undetectable		 5dx3A-5k9xA:
22.68
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.
5kzd N-ACETYLNEURAMINATE
LYASE

(Staphylococcus
aureus) 		PF00701
(DHDPS) 		5 LEU A  40
ALA A  34
LEU A  43
GLY A  50
LEU A  13
 None
 1.38A 5dx3A-5kzdA:
undetectable		 5dx3A-5kzdA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9o DEOXYFRUCTOSYL-AMINO
ACID TRANSPORTER
PERIPLASMIC BINDING
PROTEIN

(Agrobacterium
fabrum) 		PF00497
(SBP_bac_3) 		5 ALA A 168
GLU A 169
LEU A 177
GLY A 153
LEU A 151
 None
 1.36A 5dx3A-5l9oA:
undetectable		 5dx3A-5l9oA:
20.85
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.
5ltm PHENYLALANINE
AMMONIA LYASE

(Anabaena) 		no annotation 5 LEU B 214
GLU B 217
LEU B 143
GLY B 183
LEU B 184
 None
 1.36A 5dx3A-5ltmB:
undetectable		 5dx3A-5ltmB:
19.30
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		5 LEU B 338
LEU B 301
MET B 275
HIS B 316
LEU B 313
 None
 1.38A 5dx3A-5m99B:
undetectable		 5dx3A-5m99B:
19.35
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 5 ALA A 493
MET A 467
ARG A 174
GLY A 485
LEU A 499
 None
 1.33A 5dx3A-5oynA:
undetectable		 5dx3A-5oynA:
15.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 MET A 294
LEU A 301
GLU A 305
MET A 340
ARG A 346
 None
EST  A 601 ( 4.3A)
EST  A 601 (-2.4A)
EST  A 601 ( 4.8A)
EST  A 601 (-4.1A)
 1.23A 5dx3A-5toaA:
31.8		 5dx3A-5toaA:
56.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 295
LEU A 301
ALA A 302
GLU A 305
LEU A 339
MET A 340
ARG A 346
GLY A 472
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 ( 4.3A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 (-4.1A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.37A 5dx3A-5toaA:
31.8		 5dx3A-5toaA:
56.49
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.
5u4n FRUCTOSE-1

(Neisseria
gonorrhoeae) 		PF01116
(F_bP_aldolase) 		5 ALA A 193
GLU A 142
LEU A 146
GLY A 152
LEU A 149
 None
 1.00A 5dx3A-5u4nA:
undetectable		 5dx3A-5u4nA:
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.
5uhd RNA POLYMERASE SIGMA
FACTOR SIGA

(Mycobacterium
tuberculosis) 		PF00140
(Sigma70_r1_2)
PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		5 GLU F 398
LEU F 386
ARG F 392
GLY F 380
LEU F 379
 None
 1.30A 5dx3A-5uhdF:
undetectable		 5dx3A-5uhdF:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uju NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		5 ALA A 246
LEU A 250
ARG A 251
GLY A 113
HIS A   9
 None
 1.27A 5dx3A-5ujuA:
undetectable		 5dx3A-5ujuA:
19.22
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.
5xxu RIBOSOMAL PROTEIN
ES28
RIBOSOMAL PROTEIN
US7

(Toxoplasma
gondii) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 LEU c   6
ALA c   7
LEU c  55
ARG F 134
GLY c  52
 None
 1.35A 5dx3A-5xxuc:
undetectable		 5dx3A-5xxuc:
12.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 LEU A 221
ALA A 222
LEU A 165
GLY A 186
LEU A 187
 None
 1.18A 5dx3A-6c62A:
undetectable		 5dx3A-6c62A:
16.06
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
GLY A  14
 None
 1.27A 5dx3A-6dllA:
undetectable		 5dx3A-6dllA:
16.46
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
LEU A 109
 None
 1.39A 5dx3A-6dllA:
undetectable		 5dx3A-6dllA:
16.46
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.
6g74 QUINOLINATE SYNTHASE
A

(Thermotoga
maritima) 		no annotation 5 MET A  59
LEU A  66
ALA A  43
GLY A  34
HIS A  19
 PHT  A 302 ( 4.9A)
None
None
None
PHT  A 302 (-4.0A)
 1.17A 5dx3A-6g74A:
undetectable		 5dx3A-6g74A:
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.
6gk6 -

(-) 		no annotation 5 LEU A 359
ALA A 360
GLU A 363
GLY A 288
LEU A 284
 HEM  A 501 ( 4.5A)
HEM  A 501 (-3.5A)
HEM  A 501 ( 4.5A)
None
None
 1.35A 5dx3A-6gk6A:
undetectable		 5dx3A-6gk6A:
undetectable