SIMILAR PATTERNS OF AMINO ACIDS FOR 2Y05_A_RALA801_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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 VAL A 411
SER A 368
VAL A 482
TYR A 273
 None
 1.34A 2y05A-1b2hA:
undetectable
2y05B-1b2hA:
undetectable		 2y05A-1b2hA:
20.88
2y05B-1b2hA:
20.88
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.
1cpy SERINE
CARBOXYPEPTIDASE

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		4 TYR A 151
VAL A 154
SER A  58
TYR A 316
 None
 1.30A 2y05A-1cpyA:
undetectable
2y05B-1cpyA:
undetectable		 2y05A-1cpyA:
22.05
2y05B-1cpyA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dby CHLOROPLAST
THIOREDOXIN M CH2

(Chlamydomonas
reinhardtii) 		PF00085
(Thioredoxin) 		4 VAL A  14
VAL A  65
TYR A  69
VAL A  24
 None
 0.99A 2y05A-1dbyA:
undetectable
2y05B-1dbyA:
undetectable		 2y05A-1dbyA:
16.88
2y05B-1dbyA:
16.88
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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		4 VAL A 649
ARG A 596
SER A 717
TYR A 621
 None
None
None
B12  A 800 (-4.7A)
 1.32A 2y05A-1e1cA:
2.2
2y05B-1e1cA:
3.4		 2y05A-1e1cA:
18.36
2y05B-1e1cA:
18.36
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		4 VAL A 514
SER A 469
VAL A 541
VAL A 617
 None
 0.97A 2y05A-1fohA:
undetectable
2y05B-1fohA:
undetectable		 2y05A-1fohA:
18.20
2y05B-1fohA:
18.20
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.
1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01658
(Inos-1-P_synth) 		4 VAL A  21
SER A  86
TYR A 116
VAL A  70
 NAD  A1000 ( 4.8A)
None
NAD  A1000 (-4.6A)
NAD  A1000 (-4.5A)
 0.93A 2y05A-1gr0A:
5.4
2y05B-1gr0A:
5.5		 2y05A-1gr0A:
22.64
2y05B-1gr0A:
22.64
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.
1ibv HISTIDINE
DECARBOXYLASE ALPHA
CHAIN

(Lactobacillus
sp. 30A) 		PF02329
(HDC) 		4 ARG B 218
SER B 193
VAL B 101
TYR B  93
 None
 1.34A 2y05A-1ibvB:
undetectable
2y05B-1ibvB:
undetectable		 2y05A-1ibvB:
20.82
2y05B-1ibvB:
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.
1nba N-CARBAMOYLSARCOSINE
AMIDOHYDROLASE

(Arthrobacter
sp.) 		PF00857
(Isochorismatase) 		4 VAL A  89
ARG A  83
VAL A 227
TYR A 230
 None
 1.26A 2y05A-1nbaA:
3.4
2y05B-1nbaA:
4.0		 2y05A-1nbaA:
20.06
2y05B-1nbaA:
20.06
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.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 VAL A 325
TYR A 321
VAL A  14
VAL A 395
 None
 1.21A 2y05A-1oseA:
undetectable
2y05B-1oseA:
undetectable		 2y05A-1oseA:
19.68
2y05B-1oseA:
19.68
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.
1s28 ORF1

(Pseudomonas
savastanoi) 		PF05932
(CesT) 		4 ARG A 113
SER A 122
VAL A  52
VAL A 114
 SO4  A 401 (-3.3A)
None
None
None
 1.33A 2y05A-1s28A:
undetectable
2y05B-1s28A:
undetectable		 2y05A-1s28A:
17.47
2y05B-1s28A:
17.47
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 TYR A 260
ARG A 112
SER A 295
TYR A  35
 None
 1.19A 2y05A-1ulvA:
undetectable
2y05B-1ulvA:
undetectable		 2y05A-1ulvA:
16.40
2y05B-1ulvA:
16.40
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 TYR A 260
VAL A 256
SER A 295
TYR A  35
 None
 1.23A 2y05A-1ulvA:
undetectable
2y05B-1ulvA:
undetectable		 2y05A-1ulvA:
16.40
2y05B-1ulvA:
16.40
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.
1y25 PROBABLE THIOL
PEROXIDASE

(Mycobacterium
tuberculosis) 		PF08534
(Redoxin) 		4 SER A  39
VAL A 117
TYR A 115
VAL A  81
 None
 1.32A 2y05A-1y25A:
undetectable
2y05B-1y25A:
undetectable		 2y05A-1y25A:
20.73
2y05B-1y25A:
20.73
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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE

(Spinacia
oleracea) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 VAL I 469
TYR I 388
VAL I 563
VAL I 494
 None
 1.02A 2y05A-1yveI:
4.7
2y05B-1yveI:
5.1		 2y05A-1yveI:
22.66
2y05B-1yveI:
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.
2b4i OUTER CAPSID PROTEIN
VP4

(Rotavirus A) 		PF17477
(Rota_VP4_MID) 		4 TYR A 355
VAL A 353
SER A 359
TYR A 305
 None
 1.31A 2y05A-2b4iA:
undetectable
2y05B-2b4iA:
undetectable		 2y05A-2b4iA:
18.98
2y05B-2b4iA:
18.98
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.
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like) 		4 VAL A  38
SER A 163
VAL A 255
VAL A  70
 None
 1.16A 2y05A-2cw6A:
undetectable
2y05B-2cw6A:
undetectable		 2y05A-2cw6A:
22.22
2y05B-2cw6A:
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.
2drq XYLANASE Y

(Bacillus
halodurans) 		PF01270
(Glyco_hydro_8) 		4 TYR A  50
VAL A  52
ARG A  90
VAL A  67
 None
 1.23A 2y05A-2drqA:
undetectable
2y05B-2drqA:
undetectable		 2y05A-2drqA:
22.79
2y05B-2drqA:
22.79
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.
2ef4 ARGINASE

(Thermus
thermophilus) 		PF00491
(Arginase) 		4 ARG A 112
SER A 100
VAL A 184
VAL A 158
 None
 1.23A 2y05A-2ef4A:
4.1
2y05B-2ef4A:
4.1		 2y05A-2ef4A:
24.44
2y05B-2ef4A:
24.44
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.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 VAL A 318
SER A  85
TYR A  20
VAL A 151
 None
 1.33A 2y05A-2g17A:
4.7
2y05B-2g17A:
4.7		 2y05A-2g17A:
23.26
2y05B-2g17A:
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.
2gfp MULTIDRUG RESISTANCE
PROTEIN D

(Escherichia
coli) 		PF07690
(MFS_1) 		4 VAL A  78
ARG A  73
SER A  59
VAL A  19
 None
 1.28A 2y05A-2gfpA:
undetectable
2y05B-2gfpA:
undetectable		 2y05A-2gfpA:
20.66
2y05B-2gfpA:
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		4 VAL A 428
SER A 147
VAL A 412
VAL A 385
 None
 1.28A 2y05A-2hj0A:
4.0
2y05B-2hj0A:
5.8		 2y05A-2hj0A:
20.62
2y05B-2hj0A:
20.62
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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 VAL A 404
VAL A 418
TYR A 422
VAL A 552
 None
 1.08A 2y05A-2hnhA:
undetectable
2y05B-2hnhA:
undetectable		 2y05A-2hnhA:
18.23
2y05B-2hnhA:
18.23
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		4 VAL 1 116
TYR 1 138
VAL 1 104
TYR 1 109
 None
 1.16A 2y05A-2ijd1:
undetectable
2y05B-2ijd1:
undetectable		 2y05A-2ijd1:
17.86
2y05B-2ijd1:
17.86
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.
2mgv BIFUNCTIONAL
MEMBRANE-ASSOCIATED
PENICILLIN-BINDING
PROTEIN 1A/1B PONA2

(Mycobacterium
tuberculosis) 		PF03793
(PASTA) 		4 VAL A   7
SER A  32
VAL A  26
VAL A  12
 None
 1.26A 2y05A-2mgvA:
undetectable
2y05B-2mgvA:
undetectable		 2y05A-2mgvA:
13.46
2y05B-2mgvA:
13.46
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.
2n4e OR34

(synthetic
construct) 		no annotation 4 VAL A  78
TYR A  79
VAL A  14
TYR A  29
 None
 0.94A 2y05A-2n4eA:
undetectable
2y05B-2n4eA:
undetectable		 2y05A-2n4eA:
15.41
2y05B-2n4eA:
15.41
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.
2ovj RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00620
(RhoGAP) 		4 TYR A 459
ARG A 470
SER A 533
VAL A 462
 None
 1.35A 2y05A-2ovjA:
undetectable
2y05B-2ovjA:
undetectable		 2y05A-2ovjA:
21.69
2y05B-2ovjA:
21.69
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.
2qaz SSPB PROTEIN

(Caulobacter
vibrioides) 		PF04386
(SspB) 		4 VAL A  25
TYR A 104
VAL A  89
TYR A  77
 None
 1.25A 2y05A-2qazA:
undetectable
2y05B-2qazA:
undetectable		 2y05A-2qazA:
17.77
2y05B-2qazA:
17.77
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 4 TYR A 436
VAL A 428
SER A 546
TYR A 485
 None
 1.32A 2y05A-2quaA:
undetectable
2y05B-2quaA:
undetectable		 2y05A-2quaA:
18.60
2y05B-2quaA:
18.60
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.
2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF02542
(YgbB) 		4 VAL A  42
SER A 120
VAL A 108
VAL A  99
 None
GOL  A1161 ( 4.0A)
CDP  A1158 (-4.0A)
None
 1.09A 2y05A-2uzhA:
undetectable
2y05B-2uzhA:
undetectable		 2y05A-2uzhA:
21.28
2y05B-2uzhA:
21.28
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 VAL A1067
SER A1217
TYR A1196
VAL A1172
 None
 1.30A 2y05A-2vsqA:
2.7
2y05B-2vsqA:
3.8		 2y05A-2vsqA:
14.63
2y05B-2vsqA:
14.63
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.
2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2

(Bacillus
subtilis) 		PF00884
(Sulfatase) 		4 VAL A 536
VAL A 247
TYR A 249
VAL A 328
 None
 1.10A 2y05A-2w8dA:
undetectable
2y05B-2w8dA:
undetectable		 2y05A-2w8dA:
20.70
2y05B-2w8dA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		4 ARG A 230
SER A 275
VAL A 261
VAL A 253
 None
 1.16A 2y05A-2x05A:
undetectable
2y05B-2x05A:
undetectable		 2y05A-2x05A:
15.39
2y05B-2x05A:
15.39
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.
2z66 VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 4

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		4 VAL A 475
SER A 528
TYR A 451
VAL A 524
 None
NAG  A1431 ( 3.7A)
None
None
 0.87A 2y05A-2z66A:
undetectable
2y05B-2z66A:
undetectable		 2y05A-2z66A:
20.33
2y05B-2z66A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		4 ARG A 382
SER A 511
VAL A 571
VAL A 506
 None
CIT  A2000 (-4.1A)
None
None
 1.33A 2y05A-3bdlA:
undetectable
2y05B-3bdlA:
undetectable		 2y05A-3bdlA:
20.62
2y05B-3bdlA:
20.62
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.
3buu UNCHARACTERIZED LOLA
SUPERFAMILY PROTEIN
NE2245

(Nitrosomonas
europaea) 		PF17131
(LolA_like) 		4 SER A  84
TYR A 204
VAL A 129
VAL A  58
 None
 0.99A 2y05A-3buuA:
undetectable
2y05B-3buuA:
undetectable		 2y05A-3buuA:
22.32
2y05B-3buuA:
22.32
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.
3cl3 ORF K13

(Human
gammaherpesvirus
8) 		PF01335
(DED) 		4 VAL A 148
SER A 117
VAL A 101
VAL A 134
 None
 1.25A 2y05A-3cl3A:
undetectable
2y05B-3cl3A:
undetectable		 2y05A-3cl3A:
20.12
2y05B-3cl3A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3crw XPD/RAD3 RELATED DNA
HELICASE

(Sulfolobus
acidocaldarius) 		PF06733
(DEAD_2)
PF13307
(Helicase_C_2) 		4 VAL 1 525
SER 1 368
TYR 1 358
VAL 1 399
 None
 1.18A 2y05A-3crw1:
undetectable
2y05B-3crw1:
undetectable		 2y05A-3crw1:
22.18
2y05B-3crw1:
22.18
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.
3czb PUTATIVE
TRANSGLYCOSYLASE

(Caulobacter
vibrioides) 		PF03562
(MltA)
PF06725
(3D) 		4 ARG A 276
SER A 202
TYR A 141
TYR A 290
 None
SO4  A   1 (-2.3A)
None
None
 1.12A 2y05A-3czbA:
undetectable
2y05B-3czbA:
undetectable		 2y05A-3czbA:
20.52
2y05B-3czbA:
20.52
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.
3fr8 PUTATIVE KETOL-ACID
REDUCTOISOMERASE
(OS05G0573700
PROTEIN)

(Oryza sativa) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 VAL A 469
TYR A 388
VAL A 563
VAL A 494
 None
 1.00A 2y05A-3fr8A:
5.0
2y05B-3fr8A:
5.1		 2y05A-3fr8A:
23.70
2y05B-3fr8A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fxi TOLL-LIKE RECEPTOR 4

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		4 VAL A 475
SER A 528
TYR A 451
VAL A 524
 None
NAG  A 731 ( 4.1A)
None
None
 0.90A 2y05A-3fxiA:
undetectable
2y05B-3fxiA:
undetectable		 2y05A-3fxiA:
18.57
2y05B-3fxiA:
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.
3k6f T-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 ARG A  19
VAL A  95
TYR A  73
VAL A  61
 None
 0.96A 2y05A-3k6fA:
undetectable
2y05B-3k6fA:
undetectable		 2y05A-3k6fA:
15.24
2y05B-3k6fA:
15.24
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.
3kyo MHC CLASS I ANTIGEN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 TYR A   7
ARG A  35
VAL A  28
TYR A 171
 None
 1.33A 2y05A-3kyoA:
undetectable
2y05B-3kyoA:
undetectable		 2y05A-3kyoA:
21.52
2y05B-3kyoA:
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		4 SER B 289
TYR B 677
VAL B 481
TYR B 416
 None
 1.32A 2y05A-3l91B:
undetectable
2y05B-3l91B:
undetectable		 2y05A-3l91B:
23.21
2y05B-3l91B:
23.21
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.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		4 TYR A  34
VAL A  44
TYR A  41
VAL A 131
 None
 1.20A 2y05A-3pl1A:
3.9
2y05B-3pl1A:
4.0		 2y05A-3pl1A:
20.92
2y05B-3pl1A:
20.92
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 ARG B 250
SER B1409
VAL B 329
VAL B 257
 None
 1.04A 2y05A-3prxB:
undetectable
2y05B-3prxB:
undetectable		 2y05A-3prxB:
12.42
2y05B-3prxB:
12.42
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.
3ttk POLYAMINE TRANSPORT
PROTEIN

(Pseudomonas
aeruginosa) 		PF13416
(SBP_bac_8) 		4 SER A  83
TYR A 333
VAL A 309
TYR A  38
 None
 1.30A 2y05A-3ttkA:
undetectable
2y05B-3ttkA:
undetectable		 2y05A-3ttkA:
23.47
2y05B-3ttkA:
23.47
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.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 VAL A 325
TYR A 321
VAL A  14
VAL A 396
 None
 1.25A 2y05A-3vm5A:
undetectable
2y05B-3vm5A:
undetectable		 2y05A-3vm5A:
19.25
2y05B-3vm5A:
19.25
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.
3wia NITRITE REDUCTASE

(Geobacillus
kaustophilus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 VAL A 278
TYR A 160
VAL A  75
VAL A 171
 None
 1.32A 2y05A-3wiaA:
undetectable
2y05B-3wiaA:
undetectable		 2y05A-3wiaA:
21.22
2y05B-3wiaA:
21.22
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.
3wkq NITRITE REDUCTASE

(Geobacillus
thermodenitrificans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 VAL A 278
TYR A 160
VAL A  75
VAL A 171
 None
 1.29A 2y05A-3wkqA:
undetectable
2y05B-3wkqA:
undetectable		 2y05A-3wkqA:
20.11
2y05B-3wkqA:
20.11
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.
3x37 MITOCHONDRIAL
MORPHOGENESIS
PROTEIN SLD7

(Zygosaccharomyces
rouxii) 		no annotation 4 TYR B  47
VAL B  89
SER B  79
TYR B  16
 GOL  B 202 ( 4.5A)
None
None
None
 1.12A 2y05A-3x37B:
undetectable
2y05B-3x37B:
undetectable		 2y05A-3x37B:
15.50
2y05B-3x37B:
15.50
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.
4bj6 RAP1-INTERACTING
FACTOR 2

(Saccharomyces
cerevisiae) 		no annotation 4 VAL A  92
SER A 130
TYR A  91
TYR A 252
 None
 1.14A 2y05A-4bj6A:
undetectable
2y05B-4bj6A:
undetectable		 2y05A-4bj6A:
20.81
2y05B-4bj6A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eis POLYSACCHARIDE
MONOOXYGENASE-3

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		4 VAL B 205
SER B  81
TYR B 165
TYR B 171
 None
None
None
HIC  B   1 (-3.5A)
 1.00A 2y05A-4eisB:
undetectable
2y05B-4eisB:
undetectable		 2y05A-4eisB:
20.66
2y05B-4eisB:
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		4 VAL X  39
ARG X 119
TYR X  35
TYR X 129
 None
 1.09A 2y05A-4g8zX:
2.4
2y05B-4g8zX:
2.5		 2y05A-4g8zX:
20.92
2y05B-4g8zX:
20.92
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.
4h41 PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF14488
(DUF4434)
PF17134
(DUF5109) 		4 TYR A 131
SER A 340
TYR A 176
VAL A 125
 None
 1.26A 2y05A-4h41A:
undetectable
2y05B-4h41A:
undetectable		 2y05A-4h41A:
21.86
2y05B-4h41A:
21.86
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.
4hu2 PROBABLE CONSERVED
LIPOPROTEIN LPPS

(Mycobacterium
tuberculosis) 		no annotation 4 VAL A  75
TYR A 229
VAL A 101
VAL A  79
 None
 1.31A 2y05A-4hu2A:
undetectable
2y05B-4hu2A:
undetectable		 2y05A-4hu2A:
21.43
2y05B-4hu2A:
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.
4i1i MALATE DEHYDROGENASE

(Leishmania
major) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ARG A 223
SER A 240
VAL A 181
VAL A 222
 None
 1.31A 2y05A-4i1iA:
6.9
2y05B-4i1iA:
6.9		 2y05A-4i1iA:
20.69
2y05B-4i1iA:
20.69
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.
4jdn VIRULENCE PLASMID
PROTEIN PGP3-D

(Chlamydia
trachomatis) 		PF05475
(Chlam_vir) 		4 VAL A 258
VAL A 154
TYR A 221
VAL A 165
 None
 1.27A 2y05A-4jdnA:
undetectable
2y05B-4jdnA:
undetectable		 2y05A-4jdnA:
17.99
2y05B-4jdnA:
17.99
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.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		4 ARG A 384
SER A 461
VAL A 415
TYR A 412
 None
 1.15A 2y05A-4jo0A:
undetectable
2y05B-4jo0A:
undetectable		 2y05A-4jo0A:
21.27
2y05B-4jo0A:
21.27
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.
4kb3 PEROXIDOXIN

(Leishmania
braziliensis) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 SER A  60
VAL A 147
TYR A 145
VAL A 105
 None
 1.14A 2y05A-4kb3A:
undetectable
2y05B-4kb3A:
undetectable		 2y05A-4kb3A:
21.26
2y05B-4kb3A:
21.26
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 VAL A 287
TYR A 243
VAL A 106
TYR A 115
 None
 1.30A 2y05A-4kxbA:
undetectable
2y05B-4kxbA:
undetectable		 2y05A-4kxbA:
16.80
2y05B-4kxbA:
16.80
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.
4mmo SSO-CP2
METALLO-CARBOXYPETID
ASE

(Sulfolobus
solfataricus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 TYR A  55
VAL A  54
TYR A 133
VAL A  41
 None
 1.26A 2y05A-4mmoA:
undetectable
2y05B-4mmoA:
undetectable		 2y05A-4mmoA:
22.73
2y05B-4mmoA:
22.73
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.
4n9w GDP-MANNOSE-DEPENDEN
T
ALPHA-(1-2)-PHOSPHAT
IDYLINOSITOL
MANNOSYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF13439
(Glyco_transf_4)
PF13692
(Glyco_trans_1_4) 		4 VAL A 344
SER A 275
VAL A 290
VAL A 301
 None
GDP  A 401 (-3.5A)
None
None
 1.14A 2y05A-4n9wA:
6.0
2y05B-4n9wA:
6.2		 2y05A-4n9wA:
22.54
2y05B-4n9wA:
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.
4pq1 PUTATIVE ELECTRON
TRANSPORT RELATED
PROTEIN

(Corynebacterium
diphtheriae) 		PF00578
(AhpC-TSA) 		4 VAL A 107
TYR A 131
VAL A 173
VAL A 158
 None
 1.10A 2y05A-4pq1A:
undetectable
2y05B-4pq1A:
undetectable		 2y05A-4pq1A:
20.06
2y05B-4pq1A:
20.06
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.
4qtf L,D-TRANSPEPTIDASE
LDTB

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		4 VAL A  75
TYR A 229
VAL A 101
VAL A  79
 None
 1.33A 2y05A-4qtfA:
undetectable
2y05B-4qtfA:
undetectable		 2y05A-4qtfA:
23.47
2y05B-4qtfA:
23.47
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.
4ubs PENTALENIC ACID
SYNTHASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 VAL A  85
ARG A  88
SER A  67
VAL A  90
 DIF  A 502 (-4.4A)
None
None
PO4  A 523 (-4.4A)
 1.31A 2y05A-4ubsA:
undetectable
2y05B-4ubsA:
undetectable		 2y05A-4ubsA:
21.74
2y05B-4ubsA:
21.74
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.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		4 TYR A 207
SER A 162
TYR A 185
VAL A 177
 None
 1.33A 2y05A-4wvaA:
undetectable
2y05B-4wvaA:
undetectable		 2y05A-4wvaA:
22.94
2y05B-4wvaA:
22.94
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.
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri) 		PF03480
(DctP) 		4 VAL A 174
ARG A 153
VAL A 308
TYR A 312
 None
BDP  A 401 (-2.9A)
None
None
 1.33A 2y05A-4x04A:
undetectable
2y05B-4x04A:
undetectable		 2y05A-4x04A:
22.92
2y05B-4x04A:
22.92
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.
4xfe TRAP DICARBOXYLATE
TRANSPORTER SUBUNIT
DCTP

(Pseudomonas
putida) 		PF03480
(DctP) 		4 VAL A 170
ARG A 149
VAL A 304
TYR A 308
 None
BDP  A 401 (-2.9A)
None
None
 1.33A 2y05A-4xfeA:
undetectable
2y05B-4xfeA:
undetectable		 2y05A-4xfeA:
22.75
2y05B-4xfeA:
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.
4ydk HEAVY CHAIN OF
ANTIBODY
C38-VRC16.01
LIGHT CHAIN OF
ANTIBODY
C38-VRC16.01

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H  50
TYR H 100
TYR L  36
VAL H  37
 None
 0.92A 2y05A-4ydkH:
undetectable
2y05B-4ydkH:
undetectable		 2y05A-4ydkH:
21.13
2y05B-4ydkH:
21.13
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.
4zn2 PSLG

(Pseudomonas
aeruginosa) 		PF00150
(Cellulase) 		4 VAL A 269
SER A 188
TYR A 181
VAL A 227
 None
 0.71A 2y05A-4zn2A:
undetectable
2y05B-4zn2A:
undetectable		 2y05A-4zn2A:
21.10
2y05B-4zn2A:
21.10
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT F
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT H

(Oryctolagus
cuniculus) 		PF01398
(JAB)
PF13012
(MitMem_reg) 		4 SER F 156
TYR F 259
VAL H 213
VAL F 222
 None
 0.91A 2y05A-5a5tF:
undetectable
2y05B-5a5tF:
undetectable		 2y05A-5a5tF:
21.70
2y05B-5a5tF:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b48 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N) 		4 TYR A  90
VAL A  94
SER A 134
VAL A  77
 None
 1.27A 2y05A-5b48A:
undetectable
2y05B-5b48A:
undetectable		 2y05A-5b48A:
19.58
2y05B-5b48A:
19.58
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.
5c0u ALKYLMERCURY LYASE

(Escherichia
coli) 		PF03243
(MerB)
PF12324
(HTH_15) 		4 TYR A  83
VAL A  84
SER A 144
TYR A  93
 None
 1.14A 2y05A-5c0uA:
undetectable
2y05B-5c0uA:
undetectable		 2y05A-5c0uA:
21.49
2y05B-5c0uA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 VAL A  79
VAL A 119
TYR A  31
VAL A  93
 None
 1.02A 2y05A-5df0A:
undetectable
2y05B-5df0A:
undetectable		 2y05A-5df0A:
21.23
2y05B-5df0A:
21.23
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.
5g2h -

(Salmonella
enterica) 		PF00977
(His_biosynth) 		4 ARG A 169
VAL A 190
TYR A 194
VAL A 168
 None
 1.19A 2y05A-5g2hA:
undetectable
2y05B-5g2hA:
2.3		 2y05A-5g2hA:
23.24
2y05B-5g2hA:
23.24
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.
5gja 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
OXIDASE 2

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 ARG A  96
VAL A 109
TYR A 113
VAL A  95
 None
 1.30A 2y05A-5gjaA:
undetectable
2y05B-5gjaA:
undetectable		 2y05A-5gjaA:
23.27
2y05B-5gjaA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gjw VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		4 TYR F 175
VAL F 168
TYR F 128
VAL F 181
 None
 1.08A 2y05A-5gjwF:
undetectable
2y05B-5gjwF:
undetectable		 2y05A-5gjwF:
15.27
2y05B-5gjwF:
15.27
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.
5hl4 RING-HYDROXYLATING
DIOXYGENASE

(Sinorhizobium
meliloti) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ARG A  14
TYR A 376
VAL A 393
TYR A 396
 None
 1.27A 2y05A-5hl4A:
undetectable
2y05B-5hl4A:
undetectable		 2y05A-5hl4A:
21.86
2y05B-5hl4A:
21.86
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 VAL A 243
ARG A 241
SER A 267
VAL A 240
 None
 1.28A 2y05A-5i68A:
undetectable
2y05B-5i68A:
undetectable		 2y05A-5i68A:
18.49
2y05B-5i68A:
18.49
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.
5i6v TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		4 VAL A 435
VAL A 457
TYR A 327
VAL A 442
 None
 1.23A 2y05A-5i6vA:
undetectable
2y05B-5i6vA:
undetectable		 2y05A-5i6vA:
21.62
2y05B-5i6vA:
21.62
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.
5i8o HMM5 ANTIBODY HEAVY
CHAIN
HMM5 ANTIBODY LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG H  37
SER H 100
TYR L  38
VAL H  36
 None
 1.34A 2y05A-5i8oH:
undetectable
2y05B-5i8oH:
undetectable		 2y05A-5i8oH:
21.00
2y05B-5i8oH:
21.00
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.
5imw INTERMEDILYSIN

(Streptococcus
intermedius) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		4 VAL A 394
SER A 139
VAL A 150
VAL A 286
 None
 1.01A 2y05A-5imwA:
undetectable
2y05B-5imwA:
undetectable		 2y05A-5imwA:
21.97
2y05B-5imwA:
21.97
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.
5jjp NONRIBOSOMAL PEPTIDE
SYNTHASE

(Streptomyces
sp. MJ635-86F5) 		PF00501
(AMP-binding) 		4 ARG A 206
SER A 211
TYR A  46
VAL A 207
 None
 1.33A 2y05A-5jjpA:
undetectable
2y05B-5jjpA:
4.8		 2y05A-5jjpA:
21.23
2y05B-5jjpA:
21.23
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.
5l2e GLUTAMATE RECEPTOR
IONOTROPIC,
DELTA-2,GLUTAMATE
RECEPTOR IONOTROPIC,
DELTA-2

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 VAL A 474
SER A 457
TYR A 540
VAL A 445
 None
 1.28A 2y05A-5l2eA:
4.2
2y05B-5l2eA:
3.1		 2y05A-5l2eA:
18.57
2y05B-5l2eA:
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 4 ARG A 165
SER A 159
VAL A 148
VAL A 164
 None
 0.94A 2y05A-5oydA:
undetectable
2y05B-5oydA:
undetectable		 2y05A-5oydA:
15.38
2y05B-5oydA:
15.38
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.
5t58 KLLA0C15939P
KLLA0D15741P

(Kluyveromyces
lactis) 		PF08202
(MIS13)
PF08641
(Mis14) 		4 ARG N  31
SER D 286
TYR N  88
VAL N  30
 None
 1.35A 2y05A-5t58N:
undetectable
2y05B-5t58N:
undetectable		 2y05A-5t58N:
19.76
2y05B-5t58N:
19.76
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.
5tjj TRANSCRIPTIONAL
REGULATOR, ICLR
FAMILY

(Alicyclobacillus
acidocaldarius) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		4 VAL A  37
ARG A  13
TYR A  64
VAL A  14
 None
 1.30A 2y05A-5tjjA:
undetectable
2y05B-5tjjA:
undetectable		 2y05A-5tjjA:
22.19
2y05B-5tjjA:
22.19
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.
5tkf LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		4 VAL A 201
SER A  83
TYR A 162
TYR A 168
 None
None
None
CU  A 308 (-4.9A)
 1.02A 2y05A-5tkfA:
undetectable
2y05B-5tkfA:
undetectable		 2y05A-5tkfA:
21.66
2y05B-5tkfA:
21.66
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.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		4 VAL A 206
SER A 103
VAL A 413
TYR A 417
 None
 1.26A 2y05A-5tu0A:
undetectable
2y05B-5tu0A:
undetectable		 2y05A-5tu0A:
25.44
2y05B-5tu0A:
25.44
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.
5uqz GLUCAN-BINDING
PROTEIN C, GBPC

(Streptococcus
mutans) 		no annotation 4 VAL A 257
TYR A 259
VAL A 293
VAL A 202
 None
 1.00A 2y05A-5uqzA:
undetectable
2y05B-5uqzA:
undetectable		 2y05A-5uqzA:
14.24
2y05B-5uqzA:
14.24
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.
5vai UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF00002
(7tm_2)
PF02793
(HRM) 		4 VAL R 237
TYR R 241
TYR R 145
VAL R 194
 None
 1.21A 2y05A-5vaiR:
undetectable
2y05B-5vaiR:
undetectable		 2y05A-5vaiR:
22.32
2y05B-5vaiR:
22.32
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.
5w19 TRYPTOPHANASE

(Proteus
vulgaris) 		no annotation 4 VAL A 150
SER A 224
VAL A 209
VAL A 201
 None
 1.32A 2y05A-5w19A:
3.5
2y05B-5w19A:
2.9		 2y05A-5w19A:
20.48
2y05B-5w19A:
20.48
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.
5wgg RADICAL SAM DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		4 VAL A 252
TYR A 250
TYR A 312
VAL A 267
 None
 1.02A 2y05A-5wggA:
undetectable
2y05B-5wggA:
undetectable		 2y05A-5wggA:
21.82
2y05B-5wggA:
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.
5xga OSMOLARITY SENSOR
PROTEIN ENVZ

(Escherichia
coli) 		no annotation 4 TYR A  48
ARG A 113
VAL A  21
VAL A 112
 CPS  A 202 (-3.4A)
None
None
None
 1.12A 2y05A-5xgaA:
undetectable
2y05B-5xgaA:
undetectable		 2y05A-5xgaA:
17.53
2y05B-5xgaA:
17.53
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.
5xmm MHC CLASS I ANTIGEN
ALPHA CHAIN

(Felis catus) 		no annotation 4 ARG A  49
SER A 168
VAL A  68
VAL A  35
 None
 1.10A 2y05A-5xmmA:
undetectable
2y05B-5xmmA:
undetectable		 2y05A-5xmmA:
13.18
2y05B-5xmmA:
13.18
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.
6co7 PREDICTED PROTEIN

(Nematostella
vectensis) 		no annotation 4 TYR A1111
VAL A1108
ARG A1104
VAL A 967
 None
None
None
POV  A3002 ( 4.7A)
 1.23A 2y05A-6co7A:
3.0
2y05B-6co7A:
3.1		 2y05A-6co7A:
13.58
2y05B-6co7A:
13.58
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.
6dcl HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN A1

(Homo sapiens) 		no annotation 4 ARG A 178
VAL A 170
TYR A 124
VAL A 177
 U  D   8 ( 3.0A)
None
None
None
 1.21A 2y05A-6dclA:
undetectable
2y05B-6dclA:
undetectable		 2y05A-6dclA:
12.90
2y05B-6dclA:
12.90
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.
6dft -

(-) 		no annotation 4 VAL B 258
TYR B 279
VAL B 272
VAL B  96
 None
 1.20A 2y05A-6dftB:
4.5
2y05B-6dftB:
4.8		 2y05A-6dftB:
undetectable
2y05B-6dftB:
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 4 ARG A 374
TYR A 544
VAL A 402
TYR A 399
 G1P  A1002 (-3.9A)
None
None
None
 1.33A 2y05A-6gh2A:
undetectable
2y05B-6gh2A:
undetectable		 2y05A-6gh2A:
13.46
2y05B-6gh2A:
13.46