SIMILAR PATTERNS OF AMINO ACIDS FOR 4K6I_A_9RAA500

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.
1a1s ORNITHINE
CARBAMOYLTRANSFERASE

(Pyrococcus
furiosus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A  23
ALA A 300
ALA A  27
LEU A 139
ALA A 140
 None
 1.09A 4k6iA-1a1sA:
undetectable		 4k6iA-1a1sA:
23.26
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.
1c7k ZINC ENDOPROTEASE

(Streptomyces
caespitosus) 		PF02031
(Peptidase_M7) 		5 ILE A  18
ALA A  21
ALA A  22
LEU A  34
ALA A  82
 None
 1.04A 4k6iA-1c7kA:
undetectable		 4k6iA-1c7kA:
23.67
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.
1dkd GROEL

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		5 ILE A 292
ALA A 278
LEU A 222
ALA A 223
VAL A 323
 None
 1.06A 4k6iA-1dkdA:
undetectable		 4k6iA-1dkdA:
25.00
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.
1dqu ISOCITRATE LYASE

(Aspergillus
nidulans) 		PF00463
(ICL) 		5 ILE A 166
ALA A 192
ALA A 191
LEU A  59
ALA A  56
 None
 0.95A 4k6iA-1dquA:
undetectable		 4k6iA-1dquA:
19.29
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 574
ALA B 577
ALA B 578
ILE B 545
ALA B 640
 None
 0.95A 4k6iA-1ffvB:
undetectable		 4k6iA-1ffvB:
14.78
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 574
ALA B 577
ALA B 578
LEU B 538
ALA B 640
 None
 1.01A 4k6iA-1ffvB:
undetectable		 4k6iA-1ffvB:
14.78
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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ILE A 530
ALA A 534
ILE A 553
LEU A 483
ALA A 540
 None
 0.98A 4k6iA-1gq2A:
undetectable		 4k6iA-1gq2A:
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.
1la1 GROEL

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		5 ILE A 292
ALA A 278
LEU A 222
ALA A 223
VAL A 323
 None
 1.09A 4k6iA-1la1A:
undetectable		 4k6iA-1la1A:
26.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lv2 HEPATOCYTE NUCLEAR
FACTOR 4-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLN A 145
LEU A 179
ARG A 186
LEU A 196
VAL A 218
 PLM  A 328 ( 4.8A)
PLM  A 328 ( 4.6A)
PLM  A 328 (-3.3A)
PLM  A 328 (-3.7A)
None
 0.71A 4k6iA-1lv2A:
27.9		 4k6iA-1lv2A:
40.08
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN

(Oligotropha
carboxidovorans) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		5 ILE A 149
ALA A 152
ALA A 153
LEU A  90
ALA A  89
 None
 0.86A 4k6iA-1n60A:
undetectable		 4k6iA-1n60A:
19.15
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.
1s4d UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Pseudomonas
denitrificans
(nomen
rejiciendum)) 		PF00590
(TP_methylase) 		5 ILE A 242
ALA A 213
LEU A 136
ALA A 137
VAL A 105
 SAH  A1501 (-4.5A)
SAH  A1501 (-3.2A)
None
None
SAH  A1501 (-4.1A)
 1.00A 4k6iA-1s4dA:
undetectable		 4k6iA-1s4dA:
25.51
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.
1tht THIOESTERASE

(Vibrio harveyi) 		PF02273
(Acyl_transf_2) 		5 ILE A 111
ALA A 113
ALA A 135
ILE A 204
ALA A 117
 None
 1.10A 4k6iA-1thtA:
undetectable		 4k6iA-1thtA:
23.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 ILE A 339
ALA A 342
ALA A 343
GLN A 346
LEU A 380
ILE A 381
PHE A 384
ARG A 387
LEU A 397
ALA A 398
VAL A 420
 MEI  A1001 (-3.8A)
MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
None
MEI  A1001 (-3.8A)
MEI  A1001 ( 4.9A)
MEI  A1001 (-4.5A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
None
 0.46A 4k6iA-1uhlA:
35.8		 4k6iA-1uhlA:
88.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ILE A 339
GLN A 346
ILE A 381
PHE A 384
ARG A 387
LEU A 397
ALA A 398
CYH A 503
 MEI  A1001 (-3.8A)
None
MEI  A1001 ( 4.9A)
MEI  A1001 (-4.5A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
MEI  A1001 (-4.0A)
 0.91A 4k6iA-1uhlA:
35.8		 4k6iA-1uhlA:
88.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 380
ILE A 381
PHE A 384
ALA A 342
VAL A 420
 MEI  A1001 (-3.8A)
MEI  A1001 ( 4.9A)
MEI  A1001 (-4.5A)
MEI  A1001 (-3.1A)
None
 1.03A 4k6iA-1uhlA:
35.8		 4k6iA-1uhlA:
88.84
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.
1vdl UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 25

(Mus musculus) 		PF14555
(UBA_4) 		5 ILE A  42
ALA A  46
LEU A  28
LEU A  61
ALA A  57
 None
 0.93A 4k6iA-1vdlA:
undetectable		 4k6iA-1vdlA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		11 ILE A 242
ALA A 245
ALA A 246
GLN A 249
LEU A 283
ILE A 284
PHE A 287
ARG A 290
LEU A 300
ALA A 301
VAL A 323
 9CR  A 201 ( 4.4A)
9CR  A 201 (-3.6A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
9CR  A 201 ( 4.1A)
None
9CR  A 201 (-4.7A)
9CR  A 201 (-2.8A)
9CR  A 201 (-4.4A)
9CR  A 201 (-3.4A)
None
 0.33A 4k6iA-1xiuA:
32.7		 4k6iA-1xiuA:
81.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		8 ILE A 242
ALA A 245
GLN A 249
ILE A 284
PHE A 287
ARG A 290
LEU A 300
CYH A 406
 9CR  A 201 ( 4.4A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
None
9CR  A 201 (-4.7A)
9CR  A 201 (-2.8A)
9CR  A 201 (-4.4A)
9CR  A 201 (-3.6A)
 0.68A 4k6iA-1xiuA:
32.7		 4k6iA-1xiuA:
81.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 LEU A 283
ILE A 284
PHE A 287
ALA A 245
VAL A 323
 9CR  A 201 ( 4.1A)
None
9CR  A 201 (-4.7A)
9CR  A 201 (-3.6A)
None
 1.02A 4k6iA-1xiuA:
32.7		 4k6iA-1xiuA:
81.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 ILE A 268
ALA A 271
ALA A 272
GLN A 275
LEU A 309
ILE A 310
PHE A 313
ARG A 316
LEU A 326
ALA A 327
VAL A 349
 9CR  A 801 (-3.9A)
9CR  A 801 (-3.6A)
9CR  A 801 (-3.5A)
9CR  A 801 (-4.7A)
9CR  A 801 (-4.2A)
None
9CR  A 801 (-4.3A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.1A)
9CR  A 801 (-3.3A)
None
 0.37A 4k6iA-1xlsA:
35.3		 4k6iA-1xlsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 ILE A 268
ALA A 271
LEU A 309
ILE A 310
PHE A 313
ARG A 316
LEU A 326
ALA A 327
CYH A 432
 9CR  A 801 (-3.9A)
9CR  A 801 (-3.6A)
9CR  A 801 (-4.2A)
None
9CR  A 801 (-4.3A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.1A)
9CR  A 801 (-3.3A)
9CR  A 801 ( 3.7A)
 0.69A 4k6iA-1xlsA:
35.3		 4k6iA-1xlsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 309
ILE A 310
PHE A 313
ALA A 271
VAL A 349
 9CR  A 801 (-4.2A)
None
9CR  A 801 (-4.3A)
9CR  A 801 (-3.6A)
None
 1.06A 4k6iA-1xlsA:
35.3		 4k6iA-1xlsA:
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.
1ykw RUBISCO-LIKE PROTEIN

(Chlorobaculum
tepidum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ILE A 285
ALA A 260
LEU A 262
ALA A 237
VAL A 380
 None
 1.14A 4k6iA-1ykwA:
undetectable		 4k6iA-1ykwA:
21.38
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.
2ebd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Aquifex
aeolicus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 174
ALA A 176
LEU A 292
ILE A 291
ALA A 223
 None
 1.08A 4k6iA-2ebdA:
undetectable		 4k6iA-2ebdA:
24.42
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.
2fm8 CELL INVASION
PROTEIN SIPA

(Salmonella
enterica) 		PF09052
(SipA) 		5 ALA C 105
ALA C 102
LEU C 249
ILE C 250
LEU C 244
 None
 1.00A 4k6iA-2fm8C:
undetectable		 4k6iA-2fm8C:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fow RIBOSOMAL PROTEIN
L11

(Geobacillus
stearothermophilus) 		PF00298
(Ribosomal_L11) 		5 ILE A  56
ALA A  58
ALA A  59
LEU A  51
ALA A  54
 None
 1.01A 4k6iA-2fowA:
undetectable		 4k6iA-2fowA:
16.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A  88
ILE A  89
PHE A  92
ARG A  95
ALA A 106
VAL A 128
 None
 0.61A 4k6iA-2gl8A:
28.1		 4k6iA-2gl8A:
88.31
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.
2h6r TRIOSEPHOSPHATE
ISOMERASE

(Methanocaldococcus
jannaschii) 		PF00121
(TIM) 		5 ILE A  78
GLN A  59
LEU A  87
ILE A  88
VAL A 103
 None
 1.07A 4k6iA-2h6rA:
undetectable		 4k6iA-2h6rA:
22.58
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		5 ILE A  36
ALA A  39
ALA A  40
LEU A  30
VAL A 500
 None
 1.01A 4k6iA-2i3oA:
undetectable		 4k6iA-2i3oA:
17.97
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.
2iu3 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Gallus gallus) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 ALA A 264
ALA A 263
LEU A 322
LEU A 250
ALA A 247
 None
 1.09A 4k6iA-2iu3A:
undetectable		 4k6iA-2iu3A:
18.73
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.
2j3w ZGC 92866

(Danio rerio) 		PF04051
(TRAPP) 		5 ALA B 141
ALA B 140
LEU B 123
ILE B 124
LEU B  54
 None
 1.07A 4k6iA-2j3wB:
undetectable		 4k6iA-2j3wB:
23.31
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.
2jva PEPTIDYL-TRNA
HYDROLASE DOMAIN
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF00472
(RF-1) 		5 ILE A  95
ALA A  98
ALA A  99
LEU A  56
VAL A   8
 None
 1.04A 4k6iA-2jvaA:
undetectable		 4k6iA-2jvaA:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nxx ULTRASPIRACLE (USP,
NR2B4)

(Tribolium
castaneum) 		PF00104
(Hormone_recep) 		6 ILE A 256
PHE A 259
ARG A 262
LEU A 272
ALA A 273
VAL A 295
 None
 0.57A 4k6iA-2nxxA:
25.0		 4k6iA-2nxxA:
63.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nxx ULTRASPIRACLE (USP,
NR2B4)

(Tribolium
castaneum) 		PF00104
(Hormone_recep) 		6 LEU A 255
ILE A 256
PHE A 259
ARG A 262
ALA A 273
VAL A 295
 None
 0.54A 4k6iA-2nxxA:
25.0		 4k6iA-2nxxA:
63.75
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.
2pig PUTATIVE TRANSFERASE

(Salmonella
enterica) 		no annotation 5 ILE A 138
ALA A 140
ILE A 109
LEU A 152
VAL A 113
 None
 0.87A 4k6iA-2pigA:
undetectable		 4k6iA-2pigA:
22.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q60 RETINOID X RECEPTOR

(Polyandrocarpa
misakiensis) 		PF00104
(Hormone_recep) 		6 LEU A 184
ILE A 185
PHE A 188
ARG A 191
ALA A 202
CYH A 307
 None
 0.95A 4k6iA-2q60A:
27.0		 4k6iA-2q60A:
70.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q60 RETINOID X RECEPTOR

(Polyandrocarpa
misakiensis) 		PF00104
(Hormone_recep) 		6 LEU A 184
ILE A 185
PHE A 188
ARG A 191
ALA A 202
VAL A 224
 None
 0.62A 4k6iA-2q60A:
27.0		 4k6iA-2q60A:
70.50
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.
2qvx 4-CHLOROBENZOATE COA
LIGASE

(Alcaligenes sp.
AL3007) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE X  71
PHE X 157
LEU X  83
ALA X  82
VAL X   4
 None
 0.95A 4k6iA-2qvxX:
undetectable		 4k6iA-2qvxX:
19.04
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.
2w1z ROP2

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 ILE A 394
ALA A 397
ALA A 398
LEU A 532
LEU A 476
 None
 0.79A 4k6iA-2w1zA:
undetectable		 4k6iA-2w1zA:
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.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 ILE A  62
ALA A  66
ALA A  65
LEU A  84
ALA A  81
 None
 0.96A 4k6iA-2xaxA:
undetectable		 4k6iA-2xaxA:
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.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 ALA A 415
ALA A 416
LEU A 388
ALA A 387
VAL A 243
 None
 0.81A 4k6iA-3afgA:
undetectable		 4k6iA-3afgA:
16.64
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.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 ILE A 368
ALA A 416
LEU A 388
ALA A 387
VAL A 243
 None
 1.01A 4k6iA-3afgA:
undetectable		 4k6iA-3afgA:
16.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 ALA A 271
ALA A 272
GLN A 275
LEU A 309
ILE A 310
PHE A 313
ARG A 316
LEU A 326
VAL A 349
 9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
9CR  A7223 ( 4.4A)
None
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
None
 0.51A 4k6iA-3dzuA:
33.7		 4k6iA-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		8 GLN A 275
LEU A 309
ILE A 310
PHE A 313
ARG A 316
LEU A 326
ALA A 327
VAL A 349
 9CR  A7223 (-4.6A)
9CR  A7223 ( 4.4A)
None
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
9CR  A7223 ( 4.7A)
None
 0.63A 4k6iA-3dzuA:
33.7		 4k6iA-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 ILE A 268
ALA A 271
ALA A 272
GLN A 275
LEU A 309
ILE A 310
PHE A 313
ARG A 316
VAL A 349
 9CR  A7223 (-3.9A)
9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
9CR  A7223 ( 4.4A)
None
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
None
 0.54A 4k6iA-3dzuA:
33.7		 4k6iA-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ILE A 268
ILE A 310
PHE A 313
ARG A 316
CYH A 432
 9CR  A7223 (-3.9A)
None
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
 1.01A 4k6iA-3dzuA:
33.7		 4k6iA-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ILE A 310
PHE A 313
ARG A 316
LEU A 326
CYH A 432
 None
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
9CR  A7223 (-3.8A)
 0.95A 4k6iA-3dzuA:
33.7		 4k6iA-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 LEU A 309
ILE A 310
PHE A 313
ALA A 271
VAL A 349
 9CR  A7223 ( 4.4A)
None
9CR  A7223 (-4.5A)
9CR  A7223 (-3.5A)
None
 1.10A 4k6iA-3dzuA:
33.7		 4k6iA-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eyb NUCLEAR HORMONE
RECEPTOR RXR

(Branchiostoma
floridae) 		PF00104
(Hormone_recep) 		5 LEU A 338
ILE A 339
PHE A 342
ALA A 356
VAL A 378
 None
 0.61A 4k6iA-3eybA:
29.0		 4k6iA-3eybA:
84.14
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB11
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3

(Schizosaccharomyces
pombe) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF13656
(RNA_pol_L_2) 		5 ILE K  86
ALA K  89
ALA K  90
LEU C 256
LEU K  49
 None
 0.92A 4k6iA-3h0gK:
undetectable		 4k6iA-3h0gK:
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.
3hn8 SYNAPTOTAGMIN-3

(Rattus
norvegicus) 		PF00168
(C2) 		5 ILE A 301
GLN A 398
ILE A 339
PHE A 382
VAL A 316
 None
 1.11A 4k6iA-3hn8A:
undetectable		 4k6iA-3hn8A:
25.79
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.
3hve GIGAXONIN

(Homo sapiens) 		PF00651
(BTB)
PF07707
(BACK) 		5 ILE A  47
ALA A  50
ALA A  51
LEU B  20
ALA B  19
 None
 0.54A 4k6iA-3hveA:
undetectable		 4k6iA-3hveA:
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.
3ic5 PUTATIVE
SACCHAROPINE
DEHYDROGENASE

(Ruegeria
pomeroyi) 		PF03435
(Sacchrp_dh_NADP) 		5 ILE A  82
ALA A  85
ALA A  86
LEU A  60
ALA A  61
 None
 0.71A 4k6iA-3ic5A:
undetectable		 4k6iA-3ic5A:
24.75
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.
3k96 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Coxiella
burnetii) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 ILE A 135
ALA A 106
ALA A 133
ILE A 166
LEU A  80
 None
 0.81A 4k6iA-3k96A:
undetectable		 4k6iA-3k96A:
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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 ALA A 177
PHE A 182
ALA A  69
VAL A 120
CYH A 166
 None
 1.09A 4k6iA-3ll8A:
undetectable		 4k6iA-3ll8A:
22.07
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.
3o0m HIT FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01230
(HIT) 		5 ILE A  67
ALA A  70
ALA A  71
LEU A 136
ALA A 135
 None
 0.54A 4k6iA-3o0mA:
undetectable		 4k6iA-3o0mA:
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 ILE A 327
ALA A 331
ALA A 330
LEU A 298
ALA A 295
 None
 1.01A 4k6iA-3oksA:
undetectable		 4k6iA-3oksA:
19.29
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.
3q15 RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE H

(Bacillus
subtilis) 		PF13176
(TPR_7) 		5 ALA A 246
ALA A 247
LEU A 258
LEU A 224
ALA A 220
 None
 1.04A 4k6iA-3q15A:
undetectable		 4k6iA-3q15A:
20.57
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.
3q60 ROP5B

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 ILE A 374
ALA A 377
ALA A 378
LEU A 518
LEU A 449
 None
 0.74A 4k6iA-3q60A:
undetectable		 4k6iA-3q60A:
24.29
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.
3qbm TETR TRANSCRIPTIONAL
REGULATOR

(Chloroflexus
aurantiacus) 		PF00440
(TetR_N)
PF16859
(TetR_C_11) 		5 ILE A 160
LEU A 137
LEU A  87
ALA A  85
VAL A 195
 None
None
None
None
PEG  A 209 ( 4.6A)
 1.01A 4k6iA-3qbmA:
undetectable		 4k6iA-3qbmA:
21.16
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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL

(Homo sapiens) 		PF00271
(Helicase_C)
PF12513
(SUV3_C) 		5 ILE A 290
ALA A 288
ILE A 202
ALA A 217
VAL A 329
 None
 1.00A 4k6iA-3rc3A:
undetectable		 4k6iA-3rc3A:
16.62
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.
3tx7 NUCLEAR RECEPTOR
SUBFAMILY 5 GROUP A
MEMBER 2

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA B 349
LEU B 386
ILE B 387
ARG B 393
LEU B 405
 P6L  B 100 ( 3.9A)
P6L  B 100 (-3.8A)
None
None
None
 0.80A 4k6iA-3tx7B:
21.7		 4k6iA-3tx7B:
28.90
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ILE A 333
ALA A 336
GLN A 340
LEU A 368
ALA A 427
 None
 0.53A 4k6iA-3zyvA:
undetectable		 4k6iA-3zyvA:
10.16
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.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N) 		5 ILE A 741
ALA A 744
ALA A 745
LEU A 714
ALA A 715
 None
 0.68A 4k6iA-4b8bA:
undetectable		 4k6iA-4b8bA:
16.89
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 ALA A 225
ALA A 201
LEU A 211
LEU A 236
ALA A 241
 None
 1.08A 4k6iA-4gx0A:
undetectable		 4k6iA-4gx0A:
17.88
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.
4ia4 AQUAPORIN

(Spinacia
oleracea) 		PF00230
(MIP) 		5 ALA A 257
ALA A 258
GLN A 261
LEU A 110
ALA A 111
 None
 0.80A 4k6iA-4ia4A:
undetectable		 4k6iA-4ia4A:
22.53
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.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		5 ALA A 510
PHE A 515
ALA A 402
VAL A 453
CYH A 499
 None
 1.07A 4k6iA-4il1A:
undetectable		 4k6iA-4il1A:
15.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 11 ILE D 268
ALA D 271
ALA D 272
GLN D 275
LEU D 309
ILE D 310
PHE D 313
ARG D 316
LEU D 326
ALA D 327
VAL D 349
 None
 0.55A 4k6iA-4j5xD:
34.4		 4k6iA-4j5xD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 9 ILE D 268
ALA D 271
GLN D 275
ILE D 310
PHE D 313
ARG D 316
LEU D 326
ALA D 327
CYH D 432
 None
 0.84A 4k6iA-4j5xD:
34.4		 4k6iA-4j5xD:
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.
4mkn TRIOSEPHOSPHATE
ISOMERASE

(Chlamydomonas
reinhardtii) 		PF00121
(TIM) 		5 ALA A  66
ILE A 124
LEU A  83
ALA A  80
VAL A  40
 None
 0.96A 4k6iA-4mknA:
undetectable		 4k6iA-4mknA:
23.96
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.
4nn1 TRANSCRIPTIONAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		5 ILE A  12
ALA A  15
ALA A  16
GLN A  19
ALA A  35
 None
 0.46A 4k6iA-4nn1A:
undetectable		 4k6iA-4nn1A:
26.82
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.
4ohx PROTEIN CLPF-1

(Caenorhabditis
elegans) 		PF06807
(Clp1)
PF16573
(CLP1_N)
PF16575
(CLP1_P) 		5 ILE A  67
ALA A  65
ILE A  38
LEU A  11
VAL A  57
 None
 1.00A 4k6iA-4ohxA:
undetectable		 4k6iA-4ohxA:
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.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 ALA A 186
PHE A 191
ALA A  78
VAL A 129
CYH A 175
 None
 1.09A 4k6iA-4oraA:
undetectable		 4k6iA-4oraA:
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.
4orb SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Mus musculus) 		PF00149
(Metallophos) 		5 ALA A 177
PHE A 182
ALA A  69
VAL A 120
CYH A 166
 None
 1.14A 4k6iA-4orbA:
undetectable		 4k6iA-4orbA:
18.38
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A  45
ALA A  44
LEU A  15
ALA A  30
VAL A 309
 None
 0.97A 4k6iA-4rcnA:
undetectable		 4k6iA-4rcnA:
12.55
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.
4tpg PROTON:OLIGOPEPTIDE
SYMPORTER POT FAMILY

(Shewanella
oneidensis) 		PF00854
(PTR2) 		5 ILE A 392
PHE A 325
LEU A 328
ALA A 327
VAL A 306
 None
 1.09A 4k6iA-4tpgA:
undetectable		 4k6iA-4tpgA:
17.56
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.
4wbq QDE-2-INTERACTING
PROTEIN

(Neurospora
crassa) 		no annotation 5 ILE A 379
ALA A 356
ALA A 381
LEU A 515
ALA A 511
 None
 1.12A 4k6iA-4wbqA:
undetectable		 4k6iA-4wbqA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgj UNCHARACTERIZED
PROTEIN

(Pectobacterium
atrosepticum) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ILE A 211
ALA A 214
ALA A 215
LEU A 183
ALA A 184
 None
 0.61A 4k6iA-4xgjA:
undetectable		 4k6iA-4xgjA:
19.91
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.
4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG

(Haemophilus
influenzae) 		PF03595
(SLAC1) 		5 ILE A 295
ALA A 265
LEU A  18
ILE A  16
LEU A  23
 None
None
BOG  A 401 ( 4.9A)
None
None
 1.03A 4k6iA-4ycrA:
undetectable		 4k6iA-4ycrA:
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.
4ynv ACL4

(Chaetomium
thermophilum) 		PF13432
(TPR_16) 		5 ALA A  49
ALA A  50
LEU A  74
LEU A  41
ALA A  37
 None
 0.91A 4k6iA-4ynvA:
undetectable		 4k6iA-4ynvA:
23.91
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.
4ynv ACL4

(Chaetomium
thermophilum) 		PF13432
(TPR_16) 		5 ILE A  46
ALA A  49
ALA A  50
LEU A  41
ALA A  37
 None
 1.05A 4k6iA-4ynvA:
undetectable		 4k6iA-4ynvA:
23.91
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.
5cwk DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 ALA A  91
ALA A  94
LEU A  56
ILE A  55
VAL A  39
 None
 0.92A 4k6iA-5cwkA:
undetectable		 4k6iA-5cwkA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwk DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 ALA A 134
ALA A 137
LEU A  99
ILE A  98
VAL A  82
 None
 1.12A 4k6iA-5cwkA:
undetectable		 4k6iA-5cwkA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cx8 LIPOPROTEIN RAGB

(Porphyromonas
gingivalis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ALA A 252
ALA A 253
LEU A 388
LEU A 244
ALA A 240
 None
 1.05A 4k6iA-5cx8A:
undetectable		 4k6iA-5cx8A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 ILE A 462
ALA A 464
ILE A  40
ALA A 493
VAL A 208
 None
None
FAD  A 602 (-4.8A)
None
None
 0.93A 4k6iA-5glgA:
undetectable		 4k6iA-5glgA:
18.67
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ILE A1072
ALA A1069
ALA A1068
LEU A1370
LEU A 841
 None
 0.95A 4k6iA-5ip9A:
undetectable		 4k6iA-5ip9A:
11.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 ILE A 294
ALA A 291
ALA A 290
LEU A 326
ALA A 325
 None
 1.06A 4k6iA-5iuwA:
undetectable		 4k6iA-5iuwA:
18.88
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.
5keu TAURINE DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF02668
(TauD) 		5 ILE A 129
ALA A 127
ILE A  42
PHE A  71
LEU A 285
 None
 0.90A 4k6iA-5keuA:
undetectable		 4k6iA-5keuA:
23.94
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.
5l0j VINCULIN

(Homo sapiens) 		PF01044
(Vinculin) 		5 ILE A 919
ALA A 922
ALA A 923
ALA A 957
VAL A 984
 None
 0.70A 4k6iA-5l0jA:
undetectable		 4k6iA-5l0jA:
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.
5n0g PRECORRIN-8X
METHYLMUTASE

(Rhodobacter
capsulatus) 		no annotation 5 ALA A  71
ALA A 130
ILE A 159
LEU A  67
ALA A  66
 None
 1.01A 4k6iA-5n0gA:
undetectable		 4k6iA-5n0gA:
18.34
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.
5n0g PRECORRIN-8X
METHYLMUTASE

(Rhodobacter
capsulatus) 		no annotation 5 ILE A  73
ALA A  71
ALA A 130
LEU A  67
ALA A  66
 None
 0.86A 4k6iA-5n0gA:
undetectable		 4k6iA-5n0gA:
18.34
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.
5nrg 50S RIBOSOMAL
PROTEIN L25

(Staphylococcus
aureus) 		PF01386
(Ribosomal_L25p)
PF14693
(Ribosomal_TL5_C) 		5 ILE S  61
ILE S  89
PHE S  91
ALA S  93
VAL S  43
 None
 0.96A 4k6iA-5nrgS:
undetectable		 4k6iA-5nrgS:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t77 PUTATIVE LIPID II
FLIPPASE MURJ

(Thermosipho
africanus) 		PF03023
(MVIN) 		5 ILE A 106
ALA A  44
LEU A 120
ILE A 119
LEU A 125
 None
 1.03A 4k6iA-5t77A:
undetectable		 4k6iA-5t77A:
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 ILE A 280
ALA A 282
ILE A   7
ALA A 306
VAL A  96
 None
 0.94A 4k6iA-5twbA:
undetectable		 4k6iA-5twbA:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 12 ILE A 268
ALA A 271
ALA A 272
GLN A 275
LEU A 309
ILE A 310
PHE A 313
ARG A 316
LEU A 326
ALA A 327
VAL A 349
CYH A 432
 9CR  A 503 (-4.0A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.8A)
9CR  A 503 (-3.7A)
9CR  A 503 ( 4.8A)
9CR  A 503 (-4.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-4.3A)
9CR  A 503 (-3.4A)
None
9CR  A 503 (-3.3A)
 0.52A 4k6iA-5uanA:
34.4		 4k6iA-5uanA:
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.
5vgm DIHYDROOROTASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 ILE A  59
ALA A  62
LEU A  22
ALA A  23
VAL A  14
 None
 0.66A 4k6iA-5vgmA:
undetectable		 4k6iA-5vgmA:
20.51
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ILE A1074
ALA A1071
ALA A1070
LEU A1373
LEU A 842
 None
 1.00A 4k6iA-5xogA:
undetectable		 4k6iA-5xogA:
8.22
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.
6az1 RIBOSOMAL PROTEIN
S1E

(Leishmania
donovani) 		no annotation 5 ILE A 174
LEU A 189
LEU A 199
ALA A 198
VAL A 217
 None
 0.89A 4k6iA-6az1A:
undetectable		 4k6iA-6az1A:
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.
6d2k FERM, ARHGEF AND
PLECKSTRIN
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		no annotation 5 LEU A 281
ILE A 282
PHE A 280
LEU A 300
VAL A 253
 None
 1.11A 4k6iA-6d2kA:
undetectable		 4k6iA-6d2kA:
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.
6d95 -

(-) 		no annotation 6 ILE A 129
ALA A 132
ALA A 133
LEU A 138
LEU A 267
ALA A 266
 None
 0.84A 4k6iA-6d95A:
undetectable		 4k6iA-6d95A:
undetectable