SIMILAR PATTERNS OF AMINO ACIDS FOR 5DXG_B_ESTB601_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d8c MALATE SYNTHASE G

(Escherichia
coli) 		PF01274
(Malate_synthase) 		5 ALA A 121
LEU A 286
LEU A 285
GLY A 292
LEU A 293
 None
 1.25A 5dxgB-1d8cA:
0.0		 5dxgB-1d8cA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1esc ESTERASE

(Streptomyces
scabiei) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 265
ALA A 282
LEU A 189
LEU A 220
GLY A 105
 None
 1.19A 5dxgB-1escA:
undetectable		 5dxgB-1escA:
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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		5 GLU A 204
LEU A 641
ARG A 668
GLY A 623
HIS A 192
 None
 1.24A 5dxgB-1kehA:
0.0		 5dxgB-1kehA:
16.69
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.
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
 1.23A 5dxgB-1o5wA:
0.0		 5dxgB-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) 		5 MET A 342
LEU A 349
GLU A 353
LEU A 391
ARG A 394
 None
EST  A   1 ( 4.8A)
EST  A   1 (-2.8A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
 1.24A 5dxgB-1pcgA:
36.8		 5dxgB-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) 		11 MET A 343
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
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 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.29A 5dxgB-1pcgA:
36.8		 5dxgB-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
 1.01A 5dxgB-1q5qA:
0.0		 5dxgB-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.
1sch PEANUT PEROXIDASE,
MAJOR CATIONIC
ISOZYME

(Arachis
hypogaea) 		PF00141
(peroxidase) 		5 LEU A  36
ALA A 105
LEU A 112
GLY A 167
HIS A 169
 None
None
None
None
HEM  A 300 ( 3.3A)
 1.18A 5dxgB-1schA:
0.5		 5dxgB-1schA:
21.41
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.
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
 1.14A 5dxgB-1sgvA:
0.0		 5dxgB-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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		5 LEU A  49
LEU A  97
GLY A 129
HIS A 130
LEU A 131
 None
 1.18A 5dxgB-1u70A:
undetectable		 5dxgB-1u70A:
20.08
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.
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
 1.10A 5dxgB-1ugoA:
undetectable		 5dxgB-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.
1ukw ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 141
MET A  93
GLY A  80
HIS A  77
LEU A  82
 None
 1.17A 5dxgB-1ukwA:
0.5		 5dxgB-1ukwA:
19.34
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.
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 5dxgB-1wz8A:
undetectable		 5dxgB-1wz8A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wzz PROBABLE
ENDOGLUCANASE

(Komagataeibacter
xylinus) 		PF01270
(Glyco_hydro_8) 		5 LEU A 300
ALA A 301
GLU A 304
LEU A 314
LEU A 317
 None
 1.11A 5dxgB-1wzzA:
undetectable		 5dxgB-1wzzA:
21.26
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
 0.58A 5dxgB-1xb7A:
29.0		 5dxgB-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 5dxgB-1y7iA:
undetectable		 5dxgB-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 5dxgB-1z7cA:
undetectable		 5dxgB-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.
1z7s HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		5 LEU 2 186
ALA 2 187
LEU 2 181
LEU 2 177
GLY 2  77
 None
 1.16A 5dxgB-1z7s2:
undetectable		 5dxgB-1z7s2:
20.26
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		5 ALA C  48
GLU C  35
ARG C 499
HIS B  23
LEU B  24
 None
 1.22A 5dxgB-2advC:
undetectable		 5dxgB-2advC:
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		5 GLU C  35
LEU C 472
ARG C 499
GLY C 454
HIS B  23
 None
 1.25A 5dxgB-2advC:
undetectable		 5dxgB-2advC:
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		5 LEU C 432
GLU C 349
ARG C 353
GLY C 454
HIS B  23
 None
 1.25A 5dxgB-2advC:
undetectable		 5dxgB-2advC:
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.
2atc ASPARTATE
CARBAMOYLTRANSFERASE
, CATALYTIC CHAIN

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A  30
ALA A 293
LEU A 297
LEU A 303
LEU A  24
 None
 1.26A 5dxgB-2atcA:
undetectable		 5dxgB-2atcA:
24.30
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.
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
 1.23A 5dxgB-2epgA:
undetectable		 5dxgB-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
 1.10A 5dxgB-2fe1A:
undetectable		 5dxgB-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
 1.17A 5dxgB-2fvgA:
undetectable		 5dxgB-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 5dxgB-2gpvA:
27.0		 5dxgB-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.
2hx0 PUTATIVE DNA-BINDING
PROTEIN

(Salmonella
enterica) 		PF03479
(DUF296) 		5 ALA A  40
GLU A 117
LEU A  37
ARG A 141
LEU A  28
 None
 1.26A 5dxgB-2hx0A:
undetectable		 5dxgB-2hx0A:
21.37
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) 		5 MET A 342
LEU A 349
GLU A 353
LEU A 391
ARG A 394
 None
EST  A 596 ( 4.1A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
 1.26A 5dxgB-2ocfA:
36.7		 5dxgB-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) 		11 MET A 343
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
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 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.39A 5dxgB-2ocfA:
36.7		 5dxgB-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) 		5 MET A 343
LEU A 402
GLY A 521
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
None
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 1.20A 5dxgB-2ocfA:
36.7		 5dxgB-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.
2opt ACTII PROTEIN

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 GLU A 102
LEU A 230
ARG A 109
GLY A 236
LEU A 238
 None
 1.24A 5dxgB-2optA:
2.9		 5dxgB-2optA:
23.29
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.
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
 1.22A 5dxgB-2panA:
undetectable		 5dxgB-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.
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
 1.07A 5dxgB-2pmpA:
undetectable		 5dxgB-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.
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
 1.24A 5dxgB-2xe4A:
undetectable		 5dxgB-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.
2y0k PYROGLUTATMATE PORIN
OPDO

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 LEU A 124
LEU A  38
LEU A  60
GLY A  93
LEU A 128
 None
 1.22A 5dxgB-2y0kA:
undetectable		 5dxgB-2y0kA:
21.07
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.
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
 1.17A 5dxgB-3b77A:
undetectable		 5dxgB-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
 1.23A 5dxgB-3b89A:
undetectable		 5dxgB-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.
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)
 1.11A 5dxgB-3e02A:
undetectable		 5dxgB-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
 1.13A 5dxgB-3e3bX:
undetectable		 5dxgB-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
 1.00A 5dxgB-3epmA:
undetectable		 5dxgB-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.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 150
ALA A 151
LEU A 127
LEU A  97
LEU A 134
 None
 1.26A 5dxgB-3fhtA:
undetectable		 5dxgB-3fhtA:
21.33
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.
3g87 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		5 LEU A  40
ALA A  36
LEU A  47
GLY A  22
LEU A  72
 None
 1.23A 5dxgB-3g87A:
undetectable		 5dxgB-3g87A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ga7 ACETYL ESTERASE

(Salmonella
enterica) 		PF07859
(Abhydrolase_3) 		5 LEU A 176
ALA A 173
LEU A 271
GLY A 163
LEU A  90
 None
 1.25A 5dxgB-3ga7A:
undetectable		 5dxgB-3ga7A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn7 UDP-N-ACETYLMURAMATE
-L-ALANINE LIGASE

(Psychrobacter
arcticus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 291
LEU A 349
GLY A 321
HIS A 323
LEU A 322
 None
 1.25A 5dxgB-3hn7A:
undetectable		 5dxgB-3hn7A:
18.25
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.
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
 1.20A 5dxgB-3kyeA:
undetectable		 5dxgB-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
 1.19A 5dxgB-3lkdA:
undetectable		 5dxgB-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
 1.25A 5dxgB-3m9vA:
undetectable		 5dxgB-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.
3r9q ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 LEU A 115
ALA A 116
LEU A  22
GLY A 106
HIS A 107
 None
 1.23A 5dxgB-3r9qA:
undetectable		 5dxgB-3r9qA:
20.49
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.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		5 MET A 224
ALA A 231
LEU A 133
LEU A 134
LEU A  17
 None
 1.18A 5dxgB-3uavA:
undetectable		 5dxgB-3uavA:
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.
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
 1.25A 5dxgB-3v8xA:
undetectable		 5dxgB-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.
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 5dxgB-3wrtA:
undetectable		 5dxgB-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.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ALA A 254
GLU A 253
LEU A 217
GLY A 169
HIS A 204
 None
None
None
None
PLP  A1350 (-3.1A)
 1.21A 5dxgB-4beqA:
undetectable		 5dxgB-4beqA:
22.55
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.
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
 1.25A 5dxgB-4bp8A:
undetectable		 5dxgB-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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT
HYDROGENASE-1 SMALL
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 LEU B  31
ALA B  32
LEU A 210
LEU A 207
LEU B  42
 None
 1.23A 5dxgB-4c3oB:
undetectable		 5dxgB-4c3oB:
19.41
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.
4cad RAS AND A-FACTOR
CONVERTING ENZYME 1,
RCE1

(Methanococcus
maripaludis) 		PF02517
(Abi) 		5 LEU C 135
ALA C 136
LEU C  48
MET C  44
LEU C  45
 None
 1.16A 5dxgB-4cadC:
undetectable		 5dxgB-4cadC:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		5 LEU A 357
ALA A 356
LEU A  35
GLY A 399
LEU A 397
 None
 0.91A 5dxgB-4ccdA:
undetectable		 5dxgB-4ccdA:
15.98
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.
4dg8 PA1221

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 LEU A 206
ALA A 255
LEU A 261
HIS A 298
LEU A 301
 None
 1.20A 5dxgB-4dg8A:
undetectable		 5dxgB-4dg8A:
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.
4dqd EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 MET A 114
LEU A 102
ALA A 106
LEU A  82
LEU A  81
 None
 1.12A 5dxgB-4dqdA:
undetectable		 5dxgB-4dqdA:
22.42
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.
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
 1.20A 5dxgB-4ep0A:
undetectable		 5dxgB-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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		5 LEU A 367
ALA A 417
LEU A 428
GLY A 479
LEU A 480
 None
 1.26A 5dxgB-4hz8A:
undetectable		 5dxgB-4hz8A:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i96 RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		5 MET A 403
LEU A 410
LEU A 445
LEU A 443
GLY A 450
 None
 1.00A 5dxgB-4i96A:
undetectable		 5dxgB-4i96A:
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.
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
 1.12A 5dxgB-4izkA:
undetectable		 5dxgB-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.
4j34 KYNURENINE
3-MONOOXYGENASE

(Saccharomyces
cerevisiae) 		PF01494
(FAD_binding_3) 		5 LEU A  19
ALA A  20
LEU A  62
GLY A 330
LEU A 312
 None
 1.01A 5dxgB-4j34A:
undetectable		 5dxgB-4j34A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 5dxgB-4j6cA:
undetectable		 5dxgB-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
 1.21A 5dxgB-4jjnD:
undetectable		 5dxgB-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.
4kry ACETYL ESTERASE

(Escherichia
coli) 		PF07859
(Abhydrolase_3) 		5 LEU A 176
ALA A 173
LEU A 271
GLY A 163
LEU A  90
 None
 1.18A 5dxgB-4kryA:
undetectable		 5dxgB-4kryA:
22.76
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.
4log MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN
AND NR2E3 PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 LEU A1295
ALA A1296
GLU A1299
LEU A1389
LEU A1388
 None
 0.96A 5dxgB-4logA:
14.3		 5dxgB-4logA:
16.67
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.
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
 1.13A 5dxgB-4md8E:
undetectable		 5dxgB-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 LEU A 286
ALA A 287
GLU A 290
LEU A 324
ARG A 331
GLY A 444
 None
 1.12A 5dxgB-4n1yA:
31.4		 5dxgB-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
 0.52A 5dxgB-4n1yA:
31.4		 5dxgB-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.
4nte DEPH

(Chromobacterium
violaceum) 		PF07992
(Pyr_redox_2) 		5 MET A 256
LEU A 109
ALA A 110
LEU A 229
GLY A 273
 None
None
None
None
NA  A 302 (-3.5A)
 1.12A 5dxgB-4nteA:
undetectable		 5dxgB-4nteA:
23.34
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.
4tq5 PRENYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01040
(UbiA) 		5 LEU A 186
ALA A 183
LEU A  31
GLY A 167
LEU A 168
 None
 1.26A 5dxgB-4tq5A:
undetectable		 5dxgB-4tq5A:
23.46
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 LEU A 406
ALA A 407
GLU A 410
HIS A 449
LEU A 447
 None
 1.04A 5dxgB-4u98A:
undetectable		 5dxgB-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.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 772
ALA A 773
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 ( 4.5A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.27A 5dxgB-4udbA:
27.9		 5dxgB-4udbA:
27.40
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 MET A 403
LEU A 410
LEU A 445
LEU A 443
GLY A 450
 None
 0.94A 5dxgB-4uwaA:
undetectable		 5dxgB-4uwaA:
5.36
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.
4ynv ACL4

(Chaetomium
thermophilum) 		PF13432
(TPR_16) 		5 LEU A  40
ALA A  37
GLY A  75
HIS A  78
LEU A  74
 None
 1.23A 5dxgB-4ynvA:
undetectable		 5dxgB-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.
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)
 1.14A 5dxgB-4zk6A:
undetectable		 5dxgB-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.
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
 1.13A 5dxgB-5a42A:
undetectable		 5dxgB-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.
5a60 INORGANIC
TRIPHOSPHATASE

(Escherichia
coli) 		PF01928
(CYTH) 		5 LEU A 178
ALA A 175
LEU A 311
GLY A  76
LEU A  78
 None
 1.20A 5dxgB-5a60A:
undetectable		 5dxgB-5a60A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5giu PROLINE DIPEPTIDASE

(Deinococcus
radiodurans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ALA A 249
LEU A 265
ARG A 272
GLY A 299
LEU A 297
 None
 1.19A 5dxgB-5giuA:
undetectable		 5dxgB-5giuA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 LEU A 337
ALA A 248
LEU A 322
GLY A 302
LEU A 301
 None
None
None
GOL  A 502 ( 3.8A)
GOL  A 502 (-4.0A)
 1.17A 5dxgB-5hwqA:
undetectable		 5dxgB-5hwqA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijb TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA

(Eptatretus
burgeri;
Mus musculus) 		PF00560
(LRR_1)
PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A 207
LEU A 194
LEU A 197
GLY A 251
LEU A 249
 None
 0.97A 5dxgB-5ijbA:
undetectable		 5dxgB-5ijbA:
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.
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)
 1.26A 5dxgB-5k8cA:
undetectable		 5dxgB-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.
5k9n POLYAMINE N
ACETYLTRANSFERASE

(Drosophila
melanogaster) 		PF00583
(Acetyltransf_1) 		5 ALA A 151
LEU A 216
LEU A 161
GLY A 179
LEU A 178
 None
 1.26A 5dxgB-5k9nA:
undetectable		 5dxgB-5k9nA:
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		5 LEU A 261
ALA A  20
LEU A  27
GLY A 280
LEU A 284
 None
 1.17A 5dxgB-5mrwA:
undetectable		 5dxgB-5mrwA:
19.18
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 LEU B 191
MET B 201
LEU B 206
GLY B  46
LEU B  44
 None
 1.26A 5dxgB-5my0B:
undetectable		 5dxgB-5my0B:
19.53
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.
5nh1 GASDERMIN-D

(Homo sapiens) 		PF04598
(Gasdermin) 		5 LEU A 367
ALA A 368
LEU A 363
MET A 362
LEU A 358
 None
 1.17A 5dxgB-5nh1A:
undetectable		 5dxgB-5nh1A:
21.46
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
LEU A 343
ARG A 346
 None
EST  A 601 ( 4.3A)
EST  A 601 (-2.4A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 1.09A 5dxgB-5toaA:
31.7		 5dxgB-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
LEU A 301
ALA A 302
GLU A 305
LEU A 339
MET A 340
LEU A 343
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 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.41A 5dxgB-5toaA:
31.7		 5dxgB-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) 		5 MET A 295
LEU A 354
GLY A 472
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
None
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 1.20A 5dxgB-5toaA:
31.7		 5dxgB-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.
5twt PEROXIDASE PVI9

(Panicum
virgatum) 		PF00141
(peroxidase) 		5 LEU A  36
ALA A 103
LEU A 110
GLY A 165
HIS A 167
 None
None
None
None
HEM  A 301 (-3.3A)
 1.22A 5dxgB-5twtA:
undetectable		 5dxgB-5twtA:
21.14
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.
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 5dxgB-5u4nA:
undetectable		 5dxgB-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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		5 MET A 377
LEU A 418
LEU A 338
LEU A 336
GLY A 402
 None
 1.12A 5dxgB-5ubkA:
undetectable		 5dxgB-5ubkA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ugj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 5 ALA A  11
GLU A  36
LEU A  45
GLY A  56
LEU A  31
 None
 1.24A 5dxgB-5ugjA:
undetectable		 5dxgB-5ugjA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vrd BIFUNCTIONAL
COENZYME PQQ
SYNTHESIS PROTEIN
C/D

(Methylobacterium
extorquens) 		no annotation 5 ALA D 153
LEU D 156
ARG D  91
HIS D  19
LEU D  22
 None
 1.25A 5dxgB-5vrdD:
undetectable		 5dxgB-5vrdD:
15.04
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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		5 ALA A 178
GLU A 181
LEU A 150
HIS A 232
LEU A 229
 None
 1.21A 5dxgB-5vwsA:
2.7		 5dxgB-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.
5xya -

(-) 		no annotation 5 ALA A1026
GLU A1038
GLY A1121
HIS A1123
LEU A1120
 None
 1.21A 5dxgB-5xyaA:
undetectable		 5dxgB-5xyaA:
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.
5y3t RANBP-TYPE AND
C3HC4-TYPE ZINC
FINGER-CONTAINING
PROTEIN 1
SHARPIN

(Mus musculus) 		no annotation 5 LEU A  13
ALA A  12
GLU A   9
LEU C 206
MET C 207
 None
 1.26A 5dxgB-5y3tA:
undetectable		 5dxgB-5y3tA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d04 RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 5 LEU E 458
LEU E 457
GLY E 463
HIS E 464
LEU E 465
 None
 0.96A 5dxgB-6d04E:
undetectable		 5dxgB-6d04E:
15.64
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.
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)
 1.19A 5dxgB-6g74A:
undetectable		 5dxgB-6g74A:
14.94