SIMILAR PATTERNS OF AMINO ACIDS FOR 4PXM_A_ESTA2000

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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus)
PF07745
(Glyco_hydro_53)
5 LEU A 278
LEU A 281
ALA A 282
LEU A   2
GLY A  40
None
1.02A 4pxmA-1fobA:
undetectable
4pxmA-1fobA:
22.41
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.
1g3n V-CYCLIN

(Human
gammaherpesvirus
8)
PF00134
(Cyclin_N)
PF09080
(K-cyclin_vir_C)
5 LEU C  79
LEU C  76
ALA C  75
LEU C 101
LEU C 138
None
1.13A 4pxmA-1g3nC:
1.9
4pxmA-1g3nC:
23.43
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.
1h39 SQUALENE--HOPENE
CYCLASE


(Alicyclobacillus
acidocaldarius)
PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N)
5 LEU A 319
LEU A 316
ALA A 317
GLY A 337
LEU A 333
None
1.11A 4pxmA-1h39A:
undetectable
4pxmA-1h39A:
18.76
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.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo)
PF00206
(Lyase_1)
PF14698
(ASL_C2)
5 MET A 250
LEU A 253
LEU A 256
ALA A 257
LEU A 293
None
0.94A 4pxmA-1i0aA:
undetectable
4pxmA-1i0aA:
23.04
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.
1khy CLPB PROTEIN

(Escherichia
coli)
PF02861
(Clp_N)
5 LEU A 110
LEU A 113
ALA A 114
GLU A 117
LEU A  93
None
0.92A 4pxmA-1khyA:
undetectable
4pxmA-1khyA:
22.10
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.
1ldd ANAPHASE PROMOTING
COMPLEX


(Saccharomyces
cerevisiae)
PF08672
(ANAPC2)
5 LEU A 826
LEU A 829
ALA A 830
LEU A 789
GLY A 841
None
0.93A 4pxmA-1lddA:
undetectable
4pxmA-1lddA:
12.45
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.
1mn6 POLYKETIDE SYNTHASE
IV


(Streptomyces
venezuelae)
PF00975
(Thioesterase)
5 ALA A 282
LEU A 233
LEU A 234
GLY A 146
HIS A 147
None
1.08A 4pxmA-1mn6A:
undetectable
4pxmA-1mn6A:
20.34
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)
7 MET A 342
LEU A 346
LEU A 349
GLU A 353
LEU A 387
LEU A 391
ARG A 394
None
EST  A   1 (-4.4A)
EST  A   1 ( 4.8A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
1.41A 4pxmA-1pcgA:
37.5
4pxmA-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)
12 MET A 343
LEU A 346
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 (-4.4A)
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)
0.26A 4pxmA-1pcgA:
37.5
4pxmA-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 4pxmA-1q5qA:
undetectable
4pxmA-1q5qA:
20.47
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.
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)
1.13A 4pxmA-1schA:
undetectable
4pxmA-1schA:
22.01
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.
1thx THIOREDOXIN

(Nostoc sp. PCC
7120)
PF00085
(Thioredoxin)
5 MET A  38
LEU A  41
LEU A  44
ALA A  45
LEU A  78
None
0.81A 4pxmA-1thxA:
undetectable
4pxmA-1thxA:
17.84
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.
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 4pxmA-1ugoA:
undetectable
4pxmA-1ugoA:
16.86
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.
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
1.09A 4pxmA-1wzzA:
undetectable
4pxmA-1wzzA:
21.29
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.
1x9s DNA POLYMERASE

(Escherichia
virus T7)
PF00476
(DNA_pol_A)
5 LEU A 481
LEU A 484
ALA A 485
GLY A 503
LEU A 501
None
0.79A 4pxmA-1x9sA:
undetectable
4pxmA-1x9sA:
15.80
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)
6 LEU A 324
LEU A 327
GLU A 331
LEU A 365
ARG A 372
HIS A 494
None
0.55A 4pxmA-1xb7A:
28.5
4pxmA-1xb7A:
32.72
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.
1yw5 PEPTIDYL PROLYL
CIS/TRANS ISOMERASE


(Candida
albicans)
PF00397
(WW)
PF00639
(Rotamase)
5 LEU A 107
LEU A 103
LEU A 120
LEU A 117
GLY A 113
None
1.04A 4pxmA-1yw5A:
undetectable
4pxmA-1yw5A:
21.82
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.
1zh8 OXIDOREDUCTASE

(Thermotoga
maritima)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
5 LEU A 305
LEU A 308
ALA A 309
GLU A 312
LEU A 327
None
1.11A 4pxmA-1zh8A:
undetectable
4pxmA-1zh8A:
22.01
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.
2dby GTP-BINDING PROTEIN

(Thermus
thermophilus)
PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C)
5 LEU A 137
LEU A 140
ALA A 141
GLU A 144
GLY A  86
None
0.80A 4pxmA-2dbyA:
undetectable
4pxmA-2dbyA:
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.
2e5f HYPOTHETICAL PROTEIN
PH0510


(Pyrococcus
horikoshii)
PF01380
(SIS)
5 MET A  51
LEU A  48
LEU A  45
LEU A 295
GLY A 194
None
1.10A 4pxmA-2e5fA:
undetectable
4pxmA-2e5fA:
23.69
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.
2ef4 ARGINASE

(Thermus
thermophilus)
PF00491
(Arginase)
5 LEU A 278
LEU A 281
ALA A 282
LEU A 259
LEU A  93
None
1.11A 4pxmA-2ef4A:
undetectable
4pxmA-2ef4A:
22.98
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.
2fe1 CONSERVED
HYPOTHETICAL PROTEIN
PAE0151


(Pyrobaculum
aerophilum)
PF01850
(PIN)
5 LEU A  36
LEU A  38
ALA A  39
GLU A  42
LEU A  75
None
1.10A 4pxmA-2fe1A:
undetectable
4pxmA-2fe1A:
22.06
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)
7 LEU A 268
LEU A 271
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
OHT  A 500 (-4.1A)
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)
0.57A 4pxmA-2gpvA:
27.2
4pxmA-2gpvA:
34.80
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.
2jug TUBC PROTEIN

(Archangium
disciforme)
no annotation 5 LEU A  52
ALA A  54
LEU A  11
LEU A  10
GLY A  18
None
0.98A 4pxmA-2jugA:
undetectable
4pxmA-2jugA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lky UNCHARACTERIZED
PROTEIN


(Mycolicibacterium
smegmatis)
PF11829
(DUF3349)
5 LEU A  33
LEU A  36
ALA A  35
LEU A  41
GLY A  65
None
0.92A 4pxmA-2lkyA:
undetectable
4pxmA-2lkyA:
18.52
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 342
LEU A 346
LEU A 349
GLU A 353
LEU A 391
ARG A 394
None
EST  A 596 (-4.4A)
EST  A 596 ( 4.1A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
1.50A 4pxmA-2ocfA:
37.5
4pxmA-2ocfA:
93.73
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)
12 MET A 343
LEU A 346
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 (-4.4A)
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 4pxmA-2ocfA:
37.5
4pxmA-2ocfA:
93.73
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.
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
1.12A 4pxmA-2pmpA:
undetectable
4pxmA-2pmpA:
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.
2q3y ANCESTRAL CORTICIOD
RECEPTOR


(unidentified)
PF00104
(Hormone_recep)
5 LEU A  32
LEU A  35
ALA A  36
LEU A  77
ARG A  80
1CA  A 247 (-4.0A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.6A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
0.34A 4pxmA-2q3yA:
28.3
4pxmA-2q3yA:
26.30
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.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE


(Thermobacillus
xylanilyticus)
PF06964
(Alpha-L-AF_C)
5 MET A  63
LEU A  60
LEU A  57
LEU A  38
LEU A 365
None
1.12A 4pxmA-2vrkA:
undetectable
4pxmA-2vrkA:
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.
2w55 XANTHINE
DEHYDROGENASE


(Rhodobacter
capsulatus)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
5 MET B 255
LEU B  35
LEU B  33
ALA B 103
GLY B  38
None
1.01A 4pxmA-2w55B:
undetectable
4pxmA-2w55B:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y0e UDP-GLUCOSE
DEHYDROGENASE


(Burkholderia
cepacia)
PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N)
5 MET A 228
LEU A 231
LEU A 234
ALA A 235
GLY A 248
None
0.74A 4pxmA-2y0eA:
undetectable
4pxmA-2y0eA:
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.
2yzm D-ALANINE--D-ALANINE
LIGASE


(Thermus
thermophilus)
PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C)
5 LEU A  53
LEU A  50
ALA A  49
LEU A   5
GLY A   9
None
0.98A 4pxmA-2yzmA:
undetectable
4pxmA-2yzmA:
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.
3bhq TRANSCRIPTIONAL
REGULATOR


(Mesorhizobium
japonicum)
PF00440
(TetR_N)
PF14246
(TetR_C_7)
5 LEU A  91
LEU A  94
ALA A  95
LEU A 169
MET A 168
None
0.93A 4pxmA-3bhqA:
undetectable
4pxmA-3bhqA:
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.
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)
1.10A 4pxmA-3e02A:
undetectable
4pxmA-3e02A:
23.85
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.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE


(Mycobacterium
tuberculosis)
PF00268
(Ribonuc_red_sm)
5 MET A 231
LEU A 234
LEU A 237
ALA A 238
LEU A 170
None
None
None
None
MYR  A 315 ( 4.7A)
1.08A 4pxmA-3ee4A:
3.0
4pxmA-3ee4A:
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.
3eno PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE


(Thermoplasma
acidophilum)
PF00814
(Peptidase_M22)
5 LEU A 295
LEU A 296
ALA A 293
GLU A 113
GLY A  16
None
1.01A 4pxmA-3enoA:
undetectable
4pxmA-3enoA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.02A 4pxmA-3epmA:
undetectable
4pxmA-3epmA:
16.39
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.
3f7c PROTEIN OF UNKNOWN
FUNCTION (DUF416)


(Marinobacter
hydrocarbonoclasticus)
PF04222
(DUF416)
5 LEU A  22
LEU A  23
ALA A  20
HIS A 113
LEU A  13
None
1.05A 4pxmA-3f7cA:
undetectable
4pxmA-3f7cA:
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.
3fh2 PROBABLE
ATP-DEPENDENT
PROTEASE (HEAT SHOCK
PROTEIN)


(Corynebacterium
glutamicum)
PF02861
(Clp_N)
5 ALA A   9
LEU A 108
LEU A 109
GLY A  95
HIS A 100
None
0.94A 4pxmA-3fh2A:
undetectable
4pxmA-3fh2A:
18.55
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.
3gkb PUTATIVE ENOYL-COA
HYDRATASE


(Streptomyces
avermitilis)
PF00378
(ECH_1)
5 LEU A 138
LEU A 175
GLU A 269
GLY A 153
LEU A 157
None
1.09A 4pxmA-3gkbA:
undetectable
4pxmA-3gkbA:
22.77
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE


(Sus scrofa)
PF00305
(Lipoxygenase)
5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
None
1.05A 4pxmA-3rdeA:
undetectable
4pxmA-3rdeA:
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.
3u07 UNCHARACTERIZED
PROTEIN VPA0106


(Vibrio
parahaemolyticus)
PF06742
(DUF1214)
PF06863
(DUF1254)
5 MET A 267
LEU A 270
LEU A 273
ALA A 274
LEU A 304
None
0.71A 4pxmA-3u07A:
undetectable
4pxmA-3u07A:
20.27
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti)
PF00294
(PfkB)
5 LEU A 300
LEU A 303
ALA A 304
LEU A 320
GLY A  73
None
0.82A 4pxmA-3uboA:
undetectable
4pxmA-3uboA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3un6 HYPOTHETICAL PROTEIN
SAOUHSC_00137


(Staphylococcus
aureus)
PF13379
(NMT1_2)
5 LEU A  93
LEU A  96
ALA A  97
LEU A  78
HIS A 114
None
None
None
None
ZN  A 325 ( 4.9A)
1.11A 4pxmA-3un6A:
undetectable
4pxmA-3un6A:
23.35
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.
3v7n THREONINE SYNTHASE

(Burkholderia
thailandensis)
PF00291
(PALP)
PF14821
(Thr_synth_N)
5 LEU A 123
ALA A 430
GLU A 428
ARG A  91
GLY A 436
None
1.10A 4pxmA-3v7nA:
undetectable
4pxmA-3v7nA:
18.57
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.
4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A


(Aspergillus
nidulans)
PF07745
(Glyco_hydro_53)
5 LEU A 278
LEU A 281
ALA A 282
LEU A   2
GLY A  40
None
None
ZN  A 413 ( 4.7A)
None
None
0.90A 4pxmA-4bf7A:
undetectable
4pxmA-4bf7A:
22.63
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.
4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A


(Aspergillus
nidulans)
PF07745
(Glyco_hydro_53)
5 LEU A 278
LEU A 281
ALA A 282
LEU A   2
GLY A 331
None
None
ZN  A 413 ( 4.7A)
None
None
0.78A 4pxmA-4bf7A:
undetectable
4pxmA-4bf7A:
22.63
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.
4cad RAS AND A-FACTOR
CONVERTING ENZYME 1,
RCE1


(Methanococcus
maripaludis)
PF02517
(Abi)
5 LEU C 132
LEU C 135
ALA C 136
LEU C  48
LEU C  45
None
0.87A 4pxmA-4cadC:
undetectable
4pxmA-4cadC:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.90A 4pxmA-4ccdA:
undetectable
4pxmA-4ccdA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.13A 4pxmA-4dqdA:
undetectable
4pxmA-4dqdA:
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli)
PF00294
(PfkB)
5 LEU A 298
LEU A 301
ALA A 302
LEU A 318
GLY A  71
None
0.80A 4pxmA-4e3aA:
undetectable
4pxmA-4e3aA:
25.27
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.
4e8d GLYCOSYL HYDROLASE,
FAMILY 35


(Streptococcus
pneumoniae)
PF01301
(Glyco_hydro_35)
5 LEU A  41
LEU A  44
ALA A  43
GLY A  84
LEU A  83
None
None
None
GOL  A 602 (-3.8A)
None
1.08A 4pxmA-4e8dA:
undetectable
4pxmA-4e8dA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hfv UNCHARACTERIZED
PROTEIN


(Legionella
pneumophila)
PF16848
(SoDot-IcmSS)
5 LEU A  76
LEU A  79
ALA A  78
LEU A 105
LEU A   5
None
1.09A 4pxmA-4hfvA:
undetectable
4pxmA-4hfvA:
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.
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 4pxmA-4i96A:
undetectable
4pxmA-4i96A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iss ALLOPHANATE
HYDROLASE


(Kluyveromyces
lactis)
PF01425
(Amidase)
5 LEU A 187
LEU A 217
ALA A 216
LEU A 168
GLY A 171
None
0.96A 4pxmA-4issA:
undetectable
4pxmA-4issA:
18.31
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.
4iuw NEUTRAL
ENDOPEPTIDASE


(Lactobacillus
rhamnosus)
PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N)
5 LEU A 286
LEU A 289
ALA A 290
LEU A 276
LEU A 275
None
1.08A 4pxmA-4iuwA:
undetectable
4pxmA-4iuwA:
16.28
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.
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
1.05A 4pxmA-4j34A:
undetectable
4pxmA-4j34A:
22.77
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.
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
0.97A 4pxmA-4logA:
14.0
4pxmA-4logA:
18.31
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.
4lu1 MAF-LIKE PROTEIN
YCEF


(Escherichia
coli)
PF02545
(Maf)
5 LEU A 108
ALA A  53
GLY A 114
HIS A 115
LEU A 116
None
0.92A 4pxmA-4lu1A:
undetectable
4pxmA-4lu1A:
23.60
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.
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 4pxmA-4md8E:
undetectable
4pxmA-4md8E:
19.30
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)
7 LEU A 283
LEU A 286
ALA A 287
GLU A 290
LEU A 324
ARG A 331
GLY A 447
None
0.52A 4pxmA-4n1yA:
31.5
4pxmA-4n1yA:
38.20
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
1.11A 4pxmA-4n1yA:
31.5
4pxmA-4n1yA:
38.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
1.08A 4pxmA-4nteA:
undetectable
4pxmA-4nteA:
22.66
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.
4pw0 ALPHA/BETA HYDROLASE
FOLD PROTEIN


(Chitinophaga
pinensis)
PF00561
(Abhydrolase_1)
5 LEU A 153
GLU A 157
LEU A 160
GLY A 260
HIS A 259
None
None
None
None
CL  A 301 (-4.2A)
1.13A 4pxmA-4pw0A:
undetectable
4pxmA-4pw0A:
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Pisum sativum)
PF00223
(PsaA_PsaB)
5 LEU B 631
LEU B 643
GLY B 653
HIS B 654
LEU B 651
None
None
None
CLA  B9022 ( 4.0A)
CLA  B9022 (-3.5A)
1.09A 4pxmA-4rkuB:
undetectable
4pxmA-4rkuB:
17.78
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.
4rm9 EZRIN

(Homo sapiens)
PF00373
(FERM_M)
PF00769
(ERM)
PF09379
(FERM_N)
PF09380
(FERM_C)
5 LEU A 125
ALA A 129
LEU A 192
GLY A 109
LEU A 111
None
1.12A 4pxmA-4rm9A:
3.5
4pxmA-4rm9A:
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.
4s15 NUCLEAR RECEPTOR
ROR-ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
5 MET A 270
LEU A 273
LEU A 276
ALA A 277
LEU A 422
None
0.65A 4pxmA-4s15A:
22.0
4pxmA-4s15A:
24.66
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.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE


(Actinoplanes
teichomyceticus)
PF00668
(Condensation)
5 MET B 259
LEU B 262
ALA B 265
LEU B 319
LEU B 441
None
1.01A 4pxmA-4tx2B:
undetectable
4pxmA-4tx2B:
20.34
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii)
PF01636
(APH)
5 LEU A 406
ALA A 407
GLU A 410
HIS A 449
LEU A 447
None
1.06A 4pxmA-4u98A:
undetectable
4pxmA-4u98A:
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.
4udb MINERALOCORTICOID
RECEPTOR


(Homo sapiens)
PF00104
(Hormone_recep)
6 LEU A 769
LEU A 772
ALA A 773
LEU A 810
LEU A 814
ARG A 817
CV7  A1987 (-4.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
0.28A 4pxmA-4udbA:
27.8
4pxmA-4udbA:
27.27
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE


(Homo sapiens)
PF00067
(p450)
5 LEU A 305
LEU A 286
ARG A 272
GLY A 162
LEU A 159
None
None
None
None
VFV  A 580 (-4.5A)
1.06A 4pxmA-4uhiA:
2.3
4pxmA-4uhiA:
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii)
PF08514
(STAG)
5 LEU A 773
LEU A 776
ALA A 777
LEU A 825
LEU A 826
None
0.97A 4pxmA-4uvkA:
undetectable
4pxmA-4uvkA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.95A 4pxmA-4uwaA:
undetectable
4pxmA-4uwaA:
5.43
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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI


(Escherichia
coli)
PF05861
(PhnI)
5 LEU C 204
LEU C 207
ALA C 208
LEU C 294
GLY C 274
None
0.82A 4pxmA-4xb6C:
undetectable
4pxmA-4xb6C:
21.80
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.
4yu9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE


(Homo sapiens)
PF04389
(Peptidase_M28)
5 LEU A 247
LEU A 137
ALA A 138
LEU A 244
LEU A 318
None
1.12A 4pxmA-4yu9A:
undetectable
4pxmA-4yu9A:
21.31
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.
4yub NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE


(Homo sapiens)
no annotation 5 LEU A  56
LEU A 114
ALA A 115
LEU A 109
GLY A  59
None
0.99A 4pxmA-4yubA:
undetectable
4pxmA-4yubA:
20.99
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.
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 4pxmA-4zk6A:
undetectable
4pxmA-4zk6A:
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5


(Homo sapiens)
PF12862
(ANAPC5)
5 LEU O 473
LEU O 470
ALA O 469
LEU O 445
MET O 444
None
1.12A 4pxmA-5a31O:
undetectable
4pxmA-5a31O:
16.98
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Acinetobacter
baumannii)
PF00275
(EPSP_synthase)
5 MET A 416
LEU A 490
LEU A 489
MET A 514
GLY A 344
None
0.99A 4pxmA-5bs5A:
undetectable
4pxmA-5bs5A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cec BD3460

(Bdellovibrio
bacteriovorus)
PF12796
(Ank_2)
5 LEU B  82
LEU B  83
LEU B  76
GLY B  40
LEU B  42
None
None
SO4  B 301 (-4.4A)
None
None
0.98A 4pxmA-5cecB:
undetectable
4pxmA-5cecB:
21.84
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.
5et1 ESPIN

(Mus musculus)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5)
5 LEU A  89
LEU A  90
LEU A  83
GLY A  47
LEU A  49
None
1.02A 4pxmA-5et1A:
undetectable
4pxmA-5et1A:
21.89
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.
5gk9 BRD1 PROTEIN
HISTONE
ACETYLTRANSFERASE
KAT7


(Homo sapiens)
PF01853
(MOZ_SAS)
no annotation
5 MET A 564
LEU A 575
LEU A 573
GLU B  58
LEU A 531
None
1.07A 4pxmA-5gk9A:
undetectable
4pxmA-5gk9A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis)
PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
5 LEU A 187
LEU A 217
ALA A 216
LEU A 168
GLY A 171
None
0.97A 4pxmA-5i8iA:
undetectable
4pxmA-5i8iA:
9.90
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2


(Homo sapiens)
PF01433
(Peptidase_M1)
PF11838
(ERAP1_C)
5 LEU A 757
LEU A 754
ALA A 753
LEU A 697
HIS A 708
None
1.04A 4pxmA-5j6sA:
undetectable
4pxmA-5j6sA:
15.13
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.
5jij ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE


(Mycolicibacterium
thermoresistibile)
PF00982
(Glyco_transf_20)
5 LEU A 303
LEU A 304
ALA A 301
LEU A 281
LEU A 428
None
None
EDO  A 505 ( 3.7A)
None
EDO  A 504 (-4.5A)
1.08A 4pxmA-5jijA:
undetectable
4pxmA-5jijA:
19.92
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa)
PF13402
(Peptidase_M60)
5 LEU A 130
LEU A 128
LEU A 165
GLY A 243
LEU A 240
None
0.93A 4pxmA-5kdxA:
undetectable
4pxmA-5kdxA:
14.62
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.
5mlv -

(-)
no annotation 5 MET G 202
LEU G 219
ALA G 223
LEU G 177
MET G 176
None
0.96A 4pxmA-5mlvG:
undetectable
4pxmA-5mlvG:
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.
5mwp MINERALOCORTICOID
RECEPTOR


(Homo sapiens)
no annotation 5 LEU A 769
LEU A 772
ALA A 773
LEU A 814
ARG A 817
ECV  A1101 (-4.7A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
0.21A 4pxmA-5mwpA:
27.9
4pxmA-5mwpA:
14.67
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Synechocystis
sp. PCC 6803)
no annotation 5 LEU b 628
LEU b 640
GLY b 650
HIS b 651
LEU b 648
None
None
None
CLA  b1806 ( 4.0A)
None
1.01A 4pxmA-5oy0b:
undetectable
4pxmA-5oy0b:
14.86
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.
5tcb PELA

(Pseudomonas
aeruginosa)
PF03537
(Glyco_hydro_114)
5 LEU A 142
LEU A 143
ALA A 140
GLY A 117
LEU A 114
None
0.86A 4pxmA-5tcbA:
undetectable
4pxmA-5tcbA:
22.73
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 294
LEU A 298
LEU A 301
GLU A 305
LEU A 343
ARG A 346
None
EST  A 601 (-4.1A)
EST  A 601 ( 4.3A)
EST  A 601 (-2.4A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
1.44A 4pxmA-5toaA:
31.7
4pxmA-5toaA:
57.36
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)
12 MET A 295
LEU A 298
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 (-4.1A)
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)
0.35A 4pxmA-5toaA:
31.7
4pxmA-5toaA:
57.36
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 298
LEU A 354
GLY A 472
HIS A 475
LEU A 476
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
None
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
1.29A 4pxmA-5toaA:
31.7
4pxmA-5toaA:
57.36
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.
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
0.99A 4pxmA-5u4nA:
undetectable
4pxmA-5u4nA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.02A 4pxmA-6d04E:
undetectable
4pxmA-6d04E:
16.00
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.
6es9 ACYL-COA
DEHYDROGENASE


(Paracoccus
denitrificans)
no annotation 5 LEU A  65
LEU A  62
ALA A  61
LEU A 126
GLY A 109
None
1.13A 4pxmA-6es9A:
undetectable
4pxmA-6es9A:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
3


(Mus musculus)
no annotation 5 LEU A  72
LEU A  94
ALA A  91
LEU H 298
LEU H 155
None
1.13A 4pxmA-6g72A:
undetectable
4pxmA-6g72A:
16.23
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.
6gbg OUTER MEMBRANE
PROTEIN


(Helicobacter
pylori)
no annotation 5 LEU A  84
ALA A  82
LEU A 394
GLY A  73
LEU A 185
None
None
None
BR  A 503 ( 4.0A)
None
0.95A 4pxmA-6gbgA:
undetectable
4pxmA-6gbgA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbg OUTER MEMBRANE
PROTEIN


(Helicobacter
pylori)
no annotation 5 LEU A  84
LEU A  85
ALA A  82
GLY A  73
LEU A 185
None
None
None
BR  A 503 ( 4.0A)
None
0.81A 4pxmA-6gbgA:
undetectable
4pxmA-6gbgA:
18.18