SIMILAR PATTERNS OF AMINO ACIDS FOR 5DXB_B_ESTB601

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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 ALA B 173
LEU B 153
LEU B 152
ILE B 493
GLY B 491
 None
 1.02A 5dxbB-1a6dB:
undetectable		 5dxbB-1a6dB:
19.44
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.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		5 ALA A 212
GLU A 191
LEU A 298
ARG A 186
LEU A 223
 None
 1.17A 5dxbB-1g0vA:
undetectable		 5dxbB-1g0vA:
20.63
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.
1gyn FRUCTOSE-BISPHOSPHAT
E ALDOLASE II

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		5 LEU A 116
LEU A 115
ILE A  83
GLY A 121
LEU A 123
 None
 0.93A 5dxbB-1gynA:
undetectable		 5dxbB-1gynA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 ALA A  46
LEU A  60
ILE A 100
GLY A  66
LEU A  67
 None
 0.98A 5dxbB-1i0aA:
1.9		 5dxbB-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.
1nkl NK-LYSIN

(Sus scrofa) 		PF05184
(SapB_1) 		5 MET A  49
GLU A  24
LEU A  61
ILE A  69
LEU A  14
 None
 1.02A 5dxbB-1nklA:
undetectable		 5dxbB-1nklA:
13.65
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 ALA A  28
GLU A 453
LEU A  80
ARG A  79
GLY A  49
 None
 1.22A 5dxbB-1o5wA:
undetectable		 5dxbB-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) 		11 MET A 343
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.28A 5dxbB-1pcgA:
37.5		 5dxbB-1pcgA:
98.36
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) 		6 MET A 343
LEU A 402
ILE A 424
GLY A 521
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
None
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 1.25A 5dxbB-1pcgA:
37.5		 5dxbB-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.
1q3s THERMOSOME ALPHA
SUBUNIT

(Thermococcus
sp. JCM 11816) 		PF00118
(Cpn60_TCP1) 		5 ALA A 175
LEU A 155
LEU A 154
ILE A 495
GLY A 493
 None
 1.04A 5dxbB-1q3sA:
0.4		 5dxbB-1q3sA:
18.24
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.
1s5p NAD-DEPENDENT
DEACETYLASE

(Escherichia
coli) 		PF02146
(SIR2) 		5 GLU A 136
LEU A 126
ILE A 200
GLY A 196
LEU A 195
 None
 1.16A 5dxbB-1s5pA:
undetectable		 5dxbB-1s5pA:
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 ALA A 231
GLU A 230
LEU A 226
LEU A 224
LEU A  63
 None
 1.12A 5dxbB-1sgvA:
undetectable		 5dxbB-1sgvA:
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 ALA A 231
LEU A 226
LEU A 224
ILE A  51
LEU A  63
 None
 1.09A 5dxbB-1sgvA:
undetectable		 5dxbB-1sgvA:
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.
1si1 IRON BINDING PROTEIN
FBPA

(Mannheimia
haemolytica) 		PF13343
(SBP_bac_6) 		5 ALA A  69
GLU A  65
LEU A  39
GLY A  47
HIS A 239
 None
 1.22A 5dxbB-1si1A:
undetectable		 5dxbB-1si1A:
22.87
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.
1ugo BCL2-ASSOCIATED
ATHANOGENE 5

(Mus musculus) 		PF02179
(BAG) 		5 ALA A  79
GLU A  83
LEU A  57
LEU A  53
LEU A  20
 None
 1.07A 5dxbB-1ugoA:
undetectable		 5dxbB-1ugoA:
16.73
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.
1wdy 2-5A-DEPENDENT
RIBONUCLEASE

(Homo sapiens) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 ALA A 171
LEU A 187
LEU A 188
ILE A 221
GLY A 179
 None
 1.21A 5dxbB-1wdyA:
undetectable		 5dxbB-1wdyA:
23.62
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
LEU A 283
ARG A 290
ILE A 402
GLY A 403
 9CR  A 201 (-3.6A)
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
None
None
 0.98A 5dxbB-1xiuA:
23.2		 5dxbB-1xiuA:
28.73
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.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 345
LEU A 436
 9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 ( 4.5A)
9CR  A 801 (-4.7A)
 1.02A 5dxbB-1xlsA:
25.6		 5dxbB-1xlsA:
29.89
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.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
None
None
 1.03A 5dxbB-1xlsA:
25.6		 5dxbB-1xlsA:
29.89
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.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		5 LEU A 207
LEU A 206
ILE A  92
GLY A 239
LEU A 236
 None
 1.05A 5dxbB-1ybfA:
undetectable		 5dxbB-1ybfA:
21.85
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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE

(Spinacia
oleracea) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 LEU I 224
ILE I 412
GLY I 231
HIS I 232
LEU I 233
 None
 1.16A 5dxbB-1yveI:
undetectable		 5dxbB-1yveI:
19.47
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.
2a6r TOXIN YOEB

(Escherichia
coli) 		PF06769
(YoeB_toxin) 		5 ALA A  78
LEU A  76
LEU A  75
GLY A  54
LEU A  52
 None
 1.16A 5dxbB-2a6rA:
undetectable		 5dxbB-2a6rA:
14.73
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.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		5 ALA A  66
GLU A  69
LEU A  40
ILE A  86
GLY A  85
 None
 1.16A 5dxbB-2c1hA:
undetectable		 5dxbB-2c1hA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		5 ALA A  86
LEU A 164
LEU A 222
ILE A 168
LEU A 152
 None
 1.17A 5dxbB-2cy7A:
undetectable		 5dxbB-2cy7A:
21.45
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.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ALA A 105
LEU A 160
ILE A 142
GLY A  42
HIS A  94
 None
 1.02A 5dxbB-2e4uA:
undetectable		 5dxbB-2e4uA:
18.45
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.
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 5dxbB-2fvgA:
undetectable		 5dxbB-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) 		5 ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 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)
 0.63A 5dxbB-2gpvA:
26.8		 5dxbB-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.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		5 LEU D 103
LEU D 104
ARG D 221
ILE D 236
GLY D  96
 None
 1.00A 5dxbB-2j5gD:
undetectable		 5dxbB-2j5gD:
20.07
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.
2n00 INTERFERON-INDUCIBLE
PROTEIN AIM2

(Mus musculus) 		PF02758
(PYRIN) 		5 ALA A  65
LEU A  72
ILE A  17
GLY A  13
LEU A  10
 None
 1.23A 5dxbB-2n00A:
undetectable		 5dxbB-2n00A:
17.62
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) 		11 MET A 343
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.38A 5dxbB-2ocfA:
36.6		 5dxbB-2ocfA:
100.00
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) 		6 MET A 343
LEU A 402
ILE A 424
GLY A 521
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
None
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 1.22A 5dxbB-2ocfA:
36.6		 5dxbB-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.
2p0u STILBENECARBOXYLATE
SYNTHASE 2

(Marchantia
polymorpha) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 333
LEU A 328
ARG A 346
ILE A 293
GLY A 291
 None
 1.22A 5dxbB-2p0uA:
undetectable		 5dxbB-2p0uA:
20.76
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.
2p5t PEZT

(Streptococcus
pneumoniae) 		PF06414
(Zeta_toxin) 		5 ALA B 220
LEU B 227
ILE B 143
GLY B  38
LEU B 140
 None
 1.20A 5dxbB-2p5tB:
undetectable		 5dxbB-2p5tB:
25.50
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.
2pan GLYOXYLATE
CARBOLIGASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A  58
GLU A  59
MET A  83
LEU A  87
GLY A  74
 None
 1.20A 5dxbB-2panA:
undetectable		 5dxbB-2panA:
17.75
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.
2pjq UNCHARACTERIZED
PROTEIN LP_2664

(Lactobacillus
plantarum) 		PF01966
(HD) 		5 ALA A  37
LEU A  52
LEU A  50
ILE A  97
HIS A  58
 None
 0.92A 5dxbB-2pjqA:
undetectable		 5dxbB-2pjqA:
22.61
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.
2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Paraburkholderia
phytofirmans) 		PF13407
(Peripla_BP_4) 		5 ALA A  44
LEU A  92
LEU A  93
ILE A  86
GLY A  85
 None
 1.06A 5dxbB-2rjoA:
undetectable		 5dxbB-2rjoA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2www METHYLMALONIC
ACIDURIA TYPE A
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF03308
(ArgK) 		5 LEU A 127
LEU A 128
ILE A  94
GLY A 233
LEU A 230
 None
 1.20A 5dxbB-2wwwA:
undetectable		 5dxbB-2wwwA:
23.20
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.
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 293
MET A 286
ILE A 350
HIS A 358
LEU A 361
 None
 1.10A 5dxbB-2x4fA:
undetectable		 5dxbB-2x4fA:
22.05
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.
2x7x SENSOR PROTEIN

(Bacteroides
thetaiotaomicron) 		PF13407
(Peripla_BP_4) 		5 ALA A 201
GLU A 204
LEU A 160
ILE A 247
GLY A 246
 None
 0.96A 5dxbB-2x7xA:
undetectable		 5dxbB-2x7xA:
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.
2zkj [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 4

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		5 GLU A 373
ARG A  64
ILE A 179
GLY A  44
LEU A  41
 None
 1.02A 5dxbB-2zkjA:
undetectable		 5dxbB-2zkjA:
19.59
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.
3e02 UNCHARACTERIZED
PROTEIN DUF849

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		5 ALA A  99
LEU A  94
ARG A 156
GLY A  89
HIS A  51
 None
EDO  A 320 (-4.5A)
EDO  A 320 (-4.5A)
None
ZN  A 311 (-3.4A)
 1.13A 5dxbB-3e02A:
undetectable		 5dxbB-3e02A:
24.05
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.
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
 1.11A 5dxbB-3e3bX:
undetectable		 5dxbB-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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		5 ALA A 462
LEU A 473
LEU A 442
GLY A 493
HIS A 455
 None
 0.97A 5dxbB-3epmA:
undetectable		 5dxbB-3epmA:
16.10
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.
3goa 3-KETOACYL-COA
THIOLASE

(Salmonella
enterica) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 246
LEU A  34
MET A  35
LEU A  38
ILE A  53
 None
 1.11A 5dxbB-3goaA:
undetectable		 5dxbB-3goaA:
21.61
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.
3ioy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Novosphingobium
aromaticivorans) 		PF00106
(adh_short) 		5 ALA A   9
LEU A  26
LEU A  27
ILE A  20
GLY A  19
 None
 1.16A 5dxbB-3ioyA:
undetectable		 5dxbB-3ioyA:
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		5 ALA A 271
ILE A   8
GLY A 196
HIS A 220
LEU A 219
 None
 1.15A 5dxbB-3ipwA:
undetectable		 5dxbB-3ipwA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 ALA H 125
LEU H 100
ILE H  76
GLY H 103
HIS H 109
 None
 1.11A 5dxbB-3jtlH:
undetectable		 5dxbB-3jtlH:
20.91
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.
3kum DIPEPTIDE EPIMERASE

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 118
LEU A 344
ILE A 301
GLY A 300
LEU A 265
 None
 1.10A 5dxbB-3kumA:
undetectable		 5dxbB-3kumA:
20.77
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.
3kye ROADBLOCK/LC7
DOMAIN, ROBL_LC7

(Streptomyces
avermitilis) 		PF03259
(Robl_LC7) 		5 LEU A  16
MET A  17
LEU A  20
ARG A  23
LEU A 128
 None
 1.21A 5dxbB-3kyeA:
undetectable		 5dxbB-3kyeA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ALA A 213
LEU A 302
LEU A 236
GLY A 343
LEU A 347
 None
 1.21A 5dxbB-3lkdA:
undetectable		 5dxbB-3lkdA:
19.77
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE

(Actinomadura
kijaniata) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  88
LEU A  14
ARG A 306
GLY A  22
LEU A  25
 None
 1.21A 5dxbB-3m9vA:
undetectable		 5dxbB-3m9vA:
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.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 ALA A 351
LEU A 202
LEU A 205
ILE A 297
GLY A 294
 NA  A 751 (-4.9A)
None
None
None
None
 1.14A 5dxbB-3mpnA:
undetectable		 5dxbB-3mpnA:
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.
3n2b DIAMINOPIMELATE
DECARBOXYLASE

(Vibrio cholerae) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 257
LEU A 241
ILE A  56
HIS A  54
LEU A 272
 None
 1.18A 5dxbB-3n2bA:
undetectable		 5dxbB-3n2bA:
20.67
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 ALA A 251
GLU A 250
LEU A 186
ILE A 238
LEU A 271
 None
 1.22A 5dxbB-3nzpA:
undetectable		 5dxbB-3nzpA:
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ALA A 224
LEU A 197
LEU A 204
ILE A  20
GLY A 146
 None
 1.22A 5dxbB-3pv2A:
undetectable		 5dxbB-3pv2A:
21.76
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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ALA A 224
LEU A 197
LEU A 204
ILE A  20
GLY A 146
 None
 1.19A 5dxbB-3pv4A:
undetectable		 5dxbB-3pv4A:
21.55
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 218
LEU A 161
ILE A 263
GLY A 260
LEU A 259
 None
 1.04A 5dxbB-3qtpA:
undetectable		 5dxbB-3qtpA:
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 ALA B 229
LEU B 246
ILE B 325
GLY A 349
LEU B 294
 None
 1.21A 5dxbB-4cakB:
undetectable		 5dxbB-4cakB:
15.46
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.
4egv ACETYL-COA
ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 262
LEU A 263
ILE A 116
GLY A 113
LEU A 283
 None
 1.17A 5dxbB-4egvA:
undetectable		 5dxbB-4egvA:
19.00
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.
4ej6 PUTATIVE
ZINC-BINDING
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLU A 202
LEU A 199
ILE A 165
GLY A 172
LEU A 174
 EDO  A 410 (-3.2A)
EDO  A 410 (-4.1A)
None
CL  A 419 (-3.9A)
None
 1.15A 5dxbB-4ej6A:
undetectable		 5dxbB-4ej6A:
21.05
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.
4ep0 MAJOR TAIL PROTEIN

(Streptococcus
virus C1) 		PF16838
(Caud_tail_N) 		5 LEU A 304
LEU A 303
GLY A 486
HIS A 161
LEU A 485
 None
 1.23A 5dxbB-4ep0A:
undetectable		 5dxbB-4ep0A:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4izk YELLOWTAIL ASCITES
VIRUS (YAV) VP4
PROTEASE

(Yellowtail
ascites virus) 		PF01768
(Birna_VP4) 		5 ALA A 607
LEU A 561
LEU A 610
GLY A 637
LEU A 638
 None
 1.10A 5dxbB-4izkA:
undetectable		 5dxbB-4izkA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jfc ENOYL-COA HYDRATASE

(Polaromonas sp.
JS666) 		PF00378
(ECH_1) 		5 ALA A 109
LEU A  27
ILE A  91
GLY A 145
LEU A 118
 None
 1.09A 5dxbB-4jfcA:
undetectable		 5dxbB-4jfcA:
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLU A3143
LEU A3257
MET A3258
GLY A3293
HIS A3404
 None
 1.06A 5dxbB-4kc5A:
undetectable		 5dxbB-4kc5A:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A3257
MET A3258
ILE A3292
GLY A3293
HIS A3404
 None
 1.20A 5dxbB-4kc5A:
undetectable		 5dxbB-4kc5A:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 ALA E 290
LEU E 288
LEU E 194
ILE E 245
GLY E 207
 None
 0.85A 5dxbB-4kprE:
undetectable		 5dxbB-4kprE:
19.20
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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 ALA A  54
GLU A  55
LEU A  65
ILE A 302
GLY A  90
 None
 1.21A 5dxbB-4kzkA:
undetectable		 5dxbB-4kzkA:
18.53
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.
4lzi MULTICYSTATIN

(Solanum
tuberosum) 		PF00031
(Cystatin) 		5 ALA A 156
LEU A 154
LEU A 138
ILE A 258
LEU A 185
 None
 1.22A 5dxbB-4lziA:
undetectable		 5dxbB-4lziA:
18.47
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.
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
 1.12A 5dxbB-4md8E:
undetectable		 5dxbB-4md8E:
19.80
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 ALA A 287
GLU A 290
LEU A 324
ARG A 331
ILE A 361
GLY A 444
 None
 1.38A 5dxbB-4n1yA:
31.3		 5dxbB-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 ALA A 287
GLU A 290
LEU A 324
ARG A 331
ILE A 361
GLY A 447
 None
 0.55A 5dxbB-4n1yA:
31.3		 5dxbB-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.
4nee AP-2 COMPLEX SUBUNIT
ALPHA-2

(Rattus
norvegicus) 		no annotation 5 MET G 353
ALA G 389
LEU G 377
HIS G 369
LEU G 338
 None
 1.12A 5dxbB-4neeG:
undetectable		 5dxbB-4neeG:
23.99
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.
4o1o RIBONUCLEASE L

(Sus scrofa) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		5 LEU A 108
LEU A 106
ILE A  96
HIS A  62
LEU A  61
 None
 1.19A 5dxbB-4o1oA:
undetectable		 5dxbB-4o1oA:
17.17
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.
4ovm UNCHARACTERIZED
PROTEIN SGCJ

(Streptomyces
carzinostaticus) 		PF14534
(DUF4440) 		5 LEU A 132
LEU A  43
ARG A  27
ILE A  64
GLY A  60
 None
 1.18A 5dxbB-4ovmA:
undetectable		 5dxbB-4ovmA:
18.94
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 GLU A 453
LEU A 341
ARG A 357
ILE A 478
GLY A 465
 None
 1.24A 5dxbB-4r1dA:
undetectable		 5dxbB-4r1dA:
18.78
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.
4rk0 LACI FAMILY
SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR

(Enterococcus
faecalis) 		PF13377
(Peripla_BP_3) 		5 LEU A 305
LEU A 306
ILE A  91
GLY A 299
LEU A 298
 None
 1.19A 5dxbB-4rk0A:
undetectable		 5dxbB-4rk0A:
22.47
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.
4uup MALATE DEHYDROGENASE

(synthetic
construct) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 247
LEU A  29
ARG A 253
ILE A   9
GLY A  17
 OCS  A 250 (-4.4A)
None
OCS  A 250 (-3.4A)
None
None
 1.12A 5dxbB-4uupA:
undetectable		 5dxbB-4uupA:
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.
4xae FERULOYL COA
ORTHO-HYDROXYLASE 1

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 GLU A 323
LEU A 321
ILE A 332
GLY A 286
LEU A 287
 None
 1.15A 5dxbB-4xaeA:
undetectable		 5dxbB-4xaeA:
21.47
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.
4yo1 DEGQ

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ALA A 221
LEU A 194
LEU A 201
ILE A  21
GLY A 143
 None
 1.24A 5dxbB-4yo1A:
undetectable		 5dxbB-4yo1A:
21.49
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.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		5 ALA A1434
LEU A1393
MET A1392
LEU A1395
LEU A1386
 None
 1.10A 5dxbB-5a42A:
undetectable		 5dxbB-5a42A:
10.09
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.
5aar POTASSIUM CHANNEL
AKT1

(Arabidopsis
thaliana) 		PF12796
(Ank_2) 		5 ALA A 651
LEU A 631
LEU A 630
ILE A 610
GLY A 639
 None
 0.95A 5dxbB-5aarA:
undetectable		 5dxbB-5aarA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ci6 MITOGEN-ACTIVATED
PROTEIN KINASE 6

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 LEU A 195
LEU A 196
ILE A 122
GLY A 176
LEU A 177
 None
 1.22A 5dxbB-5ci6A:
undetectable		 5dxbB-5ci6A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ALA A 141
LEU A  97
ILE A 125
GLY A 122
LEU A 120
 None
None
None
GMT  A 401 ( 4.0A)
None
 1.20A 5dxbB-5d01A:
undetectable		 5dxbB-5d01A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		5 ALA A 283
ARG A 289
ILE A   8
GLY A  15
LEU A  14
 None
 1.13A 5dxbB-5gz1A:
undetectable		 5dxbB-5gz1A:
20.29
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.
5j62 PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 ALA A  40
LEU A 114
ILE A 131
GLY A 190
LEU A  96
 None
None
FMN  A 301 (-3.7A)
None
None
 1.16A 5dxbB-5j62A:
undetectable		 5dxbB-5j62A:
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.
5jd3 LAE5

(uncultured
bacterium) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 158
MET A 159
ARG A 165
ILE A  90
GLY A  91
 None
 1.06A 5dxbB-5jd3A:
undetectable		 5dxbB-5jd3A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8c 3-DEOXY-ALPHA-D-MANN
O-OCTULOSONATE
8-OXIDASE

(Shewanella
oneidensis) 		PF00465
(Fe-ADH) 		5 ALA A 216
LEU A 203
ARG A 224
GLY A 255
HIS A 258
 None
None
None
None
ZN  A 407 (-3.5A)
 1.22A 5dxbB-5k8cA:
undetectable		 5dxbB-5k8cA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 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 ALA A  25
MET A  68
LEU A  72
GLY A 101
LEU A  99
 None
 1.23A 5dxbB-5k9xA:
undetectable		 5dxbB-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.
5l2e GLUTAMATE RECEPTOR
IONOTROPIC,
DELTA-2,GLUTAMATE
RECEPTOR IONOTROPIC,
DELTA-2

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ALA A  78
LEU A 105
LEU A 108
ILE A  90
GLY A  30
 None
 1.16A 5dxbB-5l2eA:
undetectable		 5dxbB-5l2eA:
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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A  96
LEU A  53
ILE A 395
GLY A 267
LEU A 146
 None
 1.12A 5dxbB-5lnqA:
undetectable		 5dxbB-5lnqA:
19.39
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.
5n3u PHYCOCYANOBILIN
LYASE SUBUNIT ALPHA

(Nostoc sp. PCC
7120) 		no annotation 5 ALA A 229
GLU A 228
ARG A 267
ILE A 221
GLY A 196
 None
 1.17A 5dxbB-5n3uA:
undetectable		 5dxbB-5n3uA:
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ALA A  22
LEU A  19
ILE A 267
GLY A 223
LEU A 219
 None
 1.07A 5dxbB-5od2A:
undetectable		 5dxbB-5od2A:
14.83
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
GLU A 305
MET A 340
LEU A 343
ARG A 346
 None
EST  A 601 (-2.4A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 1.13A 5dxbB-5toaA:
31.2		 5dxbB-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) 		11 MET A 295
ALA A 302
GLU A 305
LEU A 339
MET A 340
LEU A 343
ARG A 346
ILE A 376
GLY A 472
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.47A 5dxbB-5toaA:
31.2		 5dxbB-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) 		6 MET A 295
LEU A 354
ILE A 376
GLY A 472
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 1.24A 5dxbB-5toaA:
31.2		 5dxbB-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
 0.94A 5dxbB-5u4nA:
undetectable		 5dxbB-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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		5 ALA A 178
GLU A 181
LEU A 150
HIS A 232
LEU A 229
 None
 1.24A 5dxbB-5vwsA:
2.8		 5dxbB-5vwsA:
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.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 ALA A 563
LEU A 242
ILE A 519
GLY A 518
LEU A 555
 None
 1.09A 5dxbB-5xdrA:
undetectable		 5dxbB-5xdrA:
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.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 6 MET A 212
ALA A 198
LEU A 237
ILE A 184
GLY A 180
HIS A 183
 None
None
None
None
GOL  A 406 ( 3.6A)
None
 1.37A 5dxbB-6c49A:
undetectable		 5dxbB-6c49A:
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.
6c7v -

(-) 		no annotation 5 LEU A  65
MET A  62
LEU A  63
ILE A  83
GLY A  81
 None
 1.18A 5dxbB-6c7vA:
undetectable		 5dxbB-6c7vA:
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.
6dk2 -

(-) 		no annotation 5 ALA A 496
LEU A 555
ILE A 143
GLY A 133
LEU A 135
 None
 1.24A 5dxbB-6dk2A:
undetectable		 5dxbB-6dk2A:
undetectable