SIMILAR PATTERNS OF AMINO ACIDS FOR 1WRL_A_TFPA204_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1avs TROPONIN C

(Gallus gallus) 		PF13833
(EF-hand_8) 		4 PHE A  29
PHE A  78
MET A  82
VAL A  83
 None
 0.73A 1wrlA-1avsA:
13.4
1wrlB-1avsA:
13.4		 1wrlA-1avsA:
65.91
1wrlB-1avsA:
65.91
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.
1b0n PROTEIN (SINI
PROTEIN)
PROTEIN (SINR
PROTEIN)

(Bacillus
subtilis) 		PF01381
(HTH_3)
PF08671
(SinI) 		4 PHE A  98
PHE A  95
MET B  19
VAL B  16
 None
 1.12A 1wrlA-1b0nA:
undetectable
1wrlB-1b0nA:
undetectable		 1wrlA-1b0nA:
23.01
1wrlB-1b0nA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1foe T-LYMPHOMA INVASION
AND METASTASIS
INDUCING PROTEIN 1

(Mus musculus) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 PHE A1098
LEU A1048
PHE A1139
MET A1224
 None
 1.10A 1wrlA-1foeA:
undetectable
1wrlB-1foeA:
undetectable		 1wrlA-1foeA:
12.84
1wrlB-1foeA:
12.84
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.
1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01658
(Inos-1-P_synth) 		4 PHE A 168
LEU A 172
PHE A 186
VAL A 181
 None
NAD  A1000 (-4.3A)
None
None
 1.06A 1wrlA-1gr0A:
undetectable
1wrlB-1gr0A:
undetectable		 1wrlA-1gr0A:
13.52
1wrlB-1gr0A:
13.52
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.
1hyh L-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Weissella
confusa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 PHE A 117
MET A 121
VAL A 122
SER A 124
 NAD  A 330 ( 4.9A)
NAD  A 330 (-3.3A)
None
None
 0.98A 1wrlA-1hyhA:
undetectable
1wrlB-1hyhA:
undetectable		 1wrlA-1hyhA:
16.48
1wrlB-1hyhA:
16.48
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.
1i2l 4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Escherichia
coli) 		PF01063
(Aminotran_4) 		4 LEU A 223
PHE A 252
MET A 232
VAL A 233
 None
 1.02A 1wrlA-1i2lA:
undetectable
1wrlB-1i2lA:
0.0		 1wrlA-1i2lA:
16.40
1wrlB-1i2lA:
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.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		4 PHE A 107
LEU A 112
PHE A  51
VAL A  26
 None
 1.11A 1wrlA-1ia5A:
undetectable
1wrlB-1ia5A:
undetectable		 1wrlA-1ia5A:
12.68
1wrlB-1ia5A:
12.68
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		4 PHE A 205
LEU A  90
PHE A 201
MET A 191
 None
 0.93A 1wrlA-1lwhA:
undetectable
1wrlB-1lwhA:
undetectable		 1wrlA-1lwhA:
12.39
1wrlB-1lwhA:
12.39
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.
1nty TRIPLE FUNCTIONAL
DOMAIN PROTEIN

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 PHE A1296
LEU A1241
PHE A1321
MET A1398
 None
 0.95A 1wrlA-1ntyA:
undetectable
1wrlB-1ntyA:
undetectable		 1wrlA-1ntyA:
17.19
1wrlB-1ntyA:
17.19
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.
1ogy DIHEME CYTOCHROME C
NAPB MOLECULE:
NITRATE REDUCTASE
PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF03892
(NapB)
PF04879
(Molybdop_Fe4S4) 		4 PHE A 715
LEU B  21
PHE A 769
SER A 772
 None
 0.96A 1wrlA-1ogyA:
undetectable
1wrlB-1ogyA:
0.0		 1wrlA-1ogyA:
7.60
1wrlB-1ogyA:
7.60
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 LEU A 536
PHE A 449
MET A 100
VAL A  99
 None
 1.11A 1wrlA-1ogyA:
undetectable
1wrlB-1ogyA:
0.0		 1wrlA-1ogyA:
7.60
1wrlB-1ogyA:
7.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1trf TROPONIN C

(Meleagris
gallopavo) 		PF13833
(EF-hand_8) 		4 LEU A  58
PHE A  78
MET A  82
VAL A  83
 None
 1.12A 1wrlA-1trfA:
4.5
1wrlB-1trfA:
4.5		 1wrlA-1trfA:
68.75
1wrlB-1trfA:
68.75
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.
1wde PROBABLE DIPHTHINE
SYNTHASE

(Aeropyrum
pernix) 		PF00590
(TP_methylase) 		4 LEU A  10
MET A  95
VAL A  96
MET A  43
 None
 1.09A 1wrlA-1wdeA:
undetectable
1wrlB-1wdeA:
undetectable		 1wrlA-1wdeA:
14.97
1wrlB-1wdeA:
14.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wrk TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES

(Homo sapiens) 		PF13833
(EF-hand_8) 		6 PHE A  27
LEU A  48
PHE A  77
MET A  81
VAL A  82
SER A  84
 TFP  A 204 (-4.4A)
TFP  A 202 (-4.1A)
None
TFP  A 202 ( 3.3A)
TFP  A 204 ( 4.9A)
TFP  A 204 (-2.9A)
 0.48A 1wrlA-1wrkA:
17.9
1wrlB-1wrkA:
17.7		 1wrlA-1wrkA:
100.00
1wrlB-1wrkA:
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.
1yoc HYPOTHETICAL PROTEIN
PA1835

(Pseudomonas
aeruginosa) 		PF14539
(DUF4442) 		4 PHE A  34
PHE A  16
MET A   4
SER A   2
 None
 0.92A 1wrlA-1yocA:
undetectable
1wrlB-1yocA:
undetectable		 1wrlA-1yocA:
22.73
1wrlB-1yocA:
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		4 LEU A 190
MET A 133
VAL A 132
SER A 131
 None
 0.90A 1wrlA-1zefA:
undetectable
1wrlB-1zefA:
undetectable		 1wrlA-1zefA:
10.95
1wrlB-1zefA:
10.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

(Saccharomyces
cerevisiae) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 PHE A 482
LEU A 460
PHE A 357
VAL A 344
 None
 1.05A 1wrlA-1zpuA:
undetectable
1wrlB-1zpuA:
undetectable		 1wrlA-1zpuA:
10.13
1wrlB-1zpuA:
10.13
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.
2bk0 MAJOR ALLERGEN API G
1

(Apium
graveolens) 		PF00407
(Bet_v_1) 		4 LEU A   8
PHE A  23
VAL A  14
SER A 112
 None
 1.11A 1wrlA-2bk0A:
undetectable
1wrlB-2bk0A:
undetectable		 1wrlA-2bk0A:
24.81
1wrlB-2bk0A:
24.81
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.
2d2n GIANT HEMOGLOBIN,
B2(C) GLOBIN CHAIN

(Oligobrachia
mashikoi) 		PF00042
(Globin) 		4 LEU C  94
PHE C 116
MET C 112
VAL C 111
 HEM  C 200 ( 4.7A)
None
HEM  C 200 (-4.6A)
None
 1.06A 1wrlA-2d2nC:
1.0
1wrlB-2d2nC:
undetectable		 1wrlA-2d2nC:
17.04
1wrlB-2d2nC:
17.04
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.
2dkh 3-HYDROXYBENZOATE
HYDROXYLASE

(Comamonas
testosteroni) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		4 PHE A 633
LEU A 621
PHE A 636
SER A 452
 None
 1.11A 1wrlA-2dkhA:
undetectable
1wrlB-2dkhA:
undetectable		 1wrlA-2dkhA:
10.22
1wrlB-2dkhA:
10.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f2p CALMODULIN FUSED
WITH
CALMODULIN-BINDING
DOMAIN OF
CALCINEURIN

(Bos taurus) 		PF13499
(EF-hand_7) 		4 PHE A  19
LEU A  39
PHE A  68
MET A  72
 None
 1.09A 1wrlA-2f2pA:
11.6
1wrlB-2f2pA:
11.6		 1wrlA-2f2pA:
61.80
1wrlB-2f2pA:
61.80
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.
2gti REPLICASE
POLYPROTEIN 1AB

(Murine
coronavirus) 		PF06471
(NSP11) 		4 PHE A 260
LEU A 278
MET A 237
SER A 235
 None
None
None
SO4  A 506 (-4.5A)
 1.03A 1wrlA-2gtiA:
undetectable
1wrlB-2gtiA:
undetectable		 1wrlA-2gtiA:
13.76
1wrlB-2gtiA:
13.76
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.
2gti REPLICASE
POLYPROTEIN 1AB

(Murine
coronavirus) 		PF06471
(NSP11) 		4 PHE A 260
PHE A 249
MET A 237
SER A 235
 None
None
None
SO4  A 506 (-4.5A)
 0.78A 1wrlA-2gtiA:
undetectable
1wrlB-2gtiA:
undetectable		 1wrlA-2gtiA:
13.76
1wrlB-2gtiA:
13.76
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.
2ik8 GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(I),
ALPHA-1 SUBUNIT

(Homo sapiens) 		PF00503
(G-alpha) 		4 PHE A 336
PHE A 267
VAL A 225
SER A  44
 None
None
None
GDP  A 401 (-3.6A)
 1.05A 1wrlA-2ik8A:
undetectable
1wrlB-2ik8A:
undetectable		 1wrlA-2ik8A:
14.72
1wrlB-2ik8A:
14.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 LEU A 291
PHE A 146
MET A 150
SER A 153
 None
 1.10A 1wrlA-2ip2A:
undetectable
1wrlB-2ip2A:
undetectable		 1wrlA-2ip2A:
13.60
1wrlB-2ip2A:
13.60
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.
2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		5 PHE A 232
LEU A 250
PHE A 221
MET A 209
SER A 207
 None
 1.42A 1wrlA-2ozkA:
undetectable
1wrlB-2ozkA:
undetectable		 1wrlA-2ozkA:
14.88
1wrlB-2ozkA:
14.88
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.
2p1n TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana) 		PF12937
(F-box-like) 		4 PHE B 179
LEU B 189
VAL B 171
SER B 196
 None
 1.07A 1wrlA-2p1nB:
undetectable
1wrlB-2p1nB:
undetectable		 1wrlA-2p1nB:
8.45
1wrlB-2p1nB:
8.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p5t PEZT

(Streptococcus
pneumoniae) 		PF06414
(Zeta_toxin) 		4 PHE B  93
MET B  97
VAL B  98
SER B 100
 None
 1.06A 1wrlA-2p5tB:
undetectable
1wrlB-2p5tB:
undetectable		 1wrlA-2p5tB:
16.33
1wrlB-2p5tB:
16.33
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.
2qwt TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Mycolicibacterium
vanbaalenii) 		PF00440
(TetR_N) 		4 PHE A  89
MET A  93
VAL A  94
SER A  96
 None
 0.57A 1wrlA-2qwtA:
undetectable
1wrlB-2qwtA:
undetectable		 1wrlA-2qwtA:
16.41
1wrlB-2qwtA:
16.41
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.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		4 LEU A 464
PHE A 338
MET A 354
VAL A 355
 None
 1.05A 1wrlA-2qykA:
undetectable
1wrlB-2qykA:
undetectable		 1wrlA-2qykA:
15.19
1wrlB-2qykA:
15.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rob CALMODULIN

(Glycine max) 		PF13499
(EF-hand_7) 		4 PHE A  92
LEU A 112
PHE A 141
MET A 145
 None
 1.09A 1wrlA-2robA:
11.3
1wrlB-2robA:
11.1		 1wrlA-2robA:
40.23
1wrlB-2robA:
40.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w49 TROPONIN C, SKELETAL
MUSCLE

(Gallus gallus) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 PHE 0  28
LEU 0  48
PHE 0  77
MET 0  81
VAL 0  82
 None
 0.89A 1wrlA-2w490:
13.3
1wrlB-2w490:
13.5		 1wrlA-2w490:
64.77
1wrlB-2w490:
64.77
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.
3afb PUTATIVE CHITINASE

(Pyrococcus
furiosus) 		no annotation 4 PHE A 523
LEU A 505
PHE A 552
MET A 572
 None
 1.08A 1wrlA-3afbA:
undetectable
1wrlB-3afbA:
undetectable		 1wrlA-3afbA:
13.83
1wrlB-3afbA:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c8v PUTATIVE
ACETYLTRANSFERASE

(Desulfovibrio
alaskensis) 		no annotation 4 PHE A 419
LEU A 204
VAL A 165
SER A 168
 EDO  A 484 (-3.7A)
None
None
None
 1.10A 1wrlA-3c8vA:
undetectable
1wrlB-3c8vA:
undetectable		 1wrlA-3c8vA:
11.30
1wrlB-3c8vA:
11.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cu3 DOMAIN OF UNKNOWN
FUNCTION WITH A
CYSTATIN-LIKE FOLD

(Nostoc
punctiforme) 		PF14534
(DUF4440) 		4 PHE A  36
LEU A  77
PHE A  40
VAL A 119
 None
 0.88A 1wrlA-3cu3A:
undetectable
1wrlB-3cu3A:
undetectable		 1wrlA-3cu3A:
22.35
1wrlB-3cu3A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dgt ENDO-1,3-BETA-GLUCAN
ASE

(Streptomyces
sioyaensis) 		PF00722
(Glyco_hydro_16) 		4 LEU A 100
PHE A 123
VAL A 210
SER A 209
 None
 1.11A 1wrlA-3dgtA:
undetectable
1wrlB-3dgtA:
undetectable		 1wrlA-3dgtA:
14.70
1wrlB-3dgtA:
14.70
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.
3fds DNA POLYMERASE
SLIDING CLAMP C

(Sulfolobus
solfataricus) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 PHE D  12
LEU D 100
PHE D  57
VAL D  62
 None
 1.10A 1wrlA-3fdsD:
undetectable
1wrlB-3fdsD:
undetectable		 1wrlA-3fdsD:
16.81
1wrlB-3fdsD:
16.81
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.
3h7j BACILYSIN
BIOSYNTHESIS PROTEIN
BACB

(Bacillus
subtilis) 		PF07883
(Cupin_2) 		4 LEU A 132
PHE A 218
SER A 214
MET A 188
 None
PPY  A 246 (-4.6A)
PPY  A 246 ( 3.7A)
None
 0.94A 1wrlA-3h7jA:
undetectable
1wrlB-3h7jA:
undetectable		 1wrlA-3h7jA:
18.38
1wrlB-3h7jA:
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.
3hhs PHENOLOXIDASE
SUBUNIT 2

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE A 667
PHE A 609
MET A 611
VAL A 507
 None
 1.09A 1wrlA-3hhsA:
undetectable
1wrlB-3hhsA:
undetectable		 1wrlA-3hhsA:
8.68
1wrlB-3hhsA:
8.68
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.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 PHE A  52
PHE A  48
MET A 254
VAL A 253
 None
 1.04A 1wrlA-3ialA:
undetectable
1wrlB-3ialA:
undetectable		 1wrlA-3ialA:
10.81
1wrlB-3ialA:
10.81
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.
3iq0 PUTATIVE RIBOKINASE
II

(Escherichia
coli) 		PF00294
(PfkB) 		4 LEU A  84
PHE A 140
MET A 144
VAL A 145
 None
 0.98A 1wrlA-3iq0A:
undetectable
1wrlB-3iq0A:
undetectable		 1wrlA-3iq0A:
14.33
1wrlB-3iq0A:
14.33
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.
3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 PHE A 128
LEU A 220
PHE A 263
SER A 256
 None
 0.97A 1wrlA-3jxfA:
undetectable
1wrlB-3jxfA:
undetectable		 1wrlA-3jxfA:
16.18
1wrlB-3jxfA:
16.18
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.
3lhq ACRAB OPERON
REPRESSOR (TETR/ACRR
FAMILY)

(Salmonella
enterica) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		4 PHE A  24
LEU A  34
MET A 123
VAL A 124
 None
 0.97A 1wrlA-3lhqA:
undetectable
1wrlB-3lhqA:
undetectable		 1wrlA-3lhqA:
17.67
1wrlB-3lhqA:
17.67
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.
3mve UPF0255 PROTEIN
VV1_0328

(Vibrio
vulnificus) 		PF06500
(DUF1100) 		4 LEU A 255
MET A 278
VAL A 279
SER A 282
 None
 1.03A 1wrlA-3mveA:
undetectable
1wrlB-3mveA:
undetectable		 1wrlA-3mveA:
12.65
1wrlB-3mveA:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 PHE A 815
LEU A 771
PHE A 783
VAL A 736
 None
 0.87A 1wrlA-3nzuA:
undetectable
1wrlB-3nzuA:
undetectable		 1wrlA-3nzuA:
6.00
1wrlB-3nzuA:
6.00
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.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B

(Pseudomonas
aeruginosa) 		PF00115
(COX1) 		4 PHE B  27
LEU B  68
PHE B 447
VAL B 398
 None
None
HEM  B 801 ( 4.5A)
None
 1.10A 1wrlA-3o0rB:
undetectable
1wrlB-3o0rB:
undetectable		 1wrlA-3o0rB:
11.90
1wrlB-3o0rB:
11.90
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.
3o2q SYMPLEKIN

(Homo sapiens) 		PF11935
(DUF3453) 		4 LEU A 153
MET A 144
VAL A 145
SER A 147
 None
 1.12A 1wrlA-3o2qA:
undetectable
1wrlB-3o2qA:
undetectable		 1wrlA-3o2qA:
11.95
1wrlB-3o2qA:
11.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o5a DIHEME CYTOCHROME C
NAPB
PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF03892
(NapB)
PF04879
(Molybdop_Fe4S4) 		4 PHE A 715
LEU B  21
PHE A 769
SER A 772
 None
 1.07A 1wrlA-3o5aA:
undetectable
1wrlB-3o5aA:
undetectable		 1wrlA-3o5aA:
8.22
1wrlB-3o5aA:
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		4 LEU B 375
PHE B 521
MET B 525
VAL B 526
 None
 0.82A 1wrlA-3p8cB:
undetectable
1wrlB-3p8cB:
undetectable		 1wrlA-3p8cB:
6.33
1wrlB-3p8cB:
6.33
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		4 PHE A 313
LEU A 333
PHE A 362
MET A 366
 None
 1.12A 1wrlA-3u0kA:
10.4
1wrlB-3u0kA:
10.4		 1wrlA-3u0kA:
16.53
1wrlB-3u0kA:
16.53
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 LEU A 387
PHE A 542
VAL A 515
SER A 538
 None
 1.10A 1wrlA-3uk1A:
undetectable
1wrlB-3uk1A:
undetectable		 1wrlA-3uk1A:
8.93
1wrlB-3uk1A:
8.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 LEU A 625
PHE A 598
MET A 655
SER A 657
 None
RAM  A1204 (-3.6A)
None
None
 0.89A 1wrlA-3w5nA:
undetectable
1wrlB-3w5nA:
undetectable		 1wrlA-3w5nA:
7.09
1wrlB-3w5nA:
7.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdo MFS TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		4 LEU A  17
MET A 340
VAL A 342
SER A 344
 None
 1.04A 1wrlA-3wdoA:
0.0
1wrlB-3wdoA:
undetectable		 1wrlA-3wdoA:
13.36
1wrlB-3wdoA:
13.36
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.
3wry TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		4 LEU A 393
PHE A 417
VAL A 422
SER A 424
 None
 1.06A 1wrlA-3wryA:
undetectable
1wrlB-3wryA:
undetectable		 1wrlA-3wryA:
11.42
1wrlB-3wryA:
11.42
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.
3x1d ATLASTIN

(Drosophila
melanogaster) 		PF02263
(GBP) 		4 LEU A 167
PHE A 236
VAL A 148
SER A 146
 None
 1.06A 1wrlA-3x1dA:
undetectable
1wrlB-3x1dA:
undetectable		 1wrlA-3x1dA:
9.76
1wrlB-3x1dA:
9.76
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		4 PHE A 476
LEU A 458
PHE A 593
VAL A 589
 None
 0.94A 1wrlA-4aefA:
undetectable
1wrlB-4aefA:
undetectable		 1wrlA-4aefA:
9.67
1wrlB-4aefA:
9.67
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.
4buc UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Thermotoga
maritima) 		PF08245
(Mur_ligase_M) 		4 PHE A 442
PHE A 403
MET A 407
SER A 410
 None
None
PO4  A1005 (-4.5A)
None
 0.83A 1wrlA-4bucA:
undetectable
1wrlB-4bucA:
undetectable		 1wrlA-4bucA:
10.40
1wrlB-4bucA:
10.40
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.
4cp2 EPITHELIAL ADHESIN 9

([Candida]
glabrata) 		PF10528
(GLEYA) 		4 PHE A 170
PHE A 173
MET A 175
VAL A 176
 None
 1.01A 1wrlA-4cp2A:
undetectable
1wrlB-4cp2A:
undetectable		 1wrlA-4cp2A:
15.17
1wrlB-4cp2A:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gxt A CONSERVED
FUNCTIONALLY UNKNOWN
PROTEIN

(Anaerococcus
prevotii) 		PF12710
(HAD) 		4 LEU A 333
PHE A 371
MET A 223
VAL A 224
 None
 1.04A 1wrlA-4gxtA:
undetectable
1wrlB-4gxtA:
undetectable		 1wrlA-4gxtA:
13.49
1wrlB-4gxtA:
13.49
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.
4j6o METALLOPHOSPHOESTERA
SE

(Ruminiclostridium
thermocellum) 		PF00149
(Metallophos) 		4 LEU A 205
MET A 251
VAL A 252
SER A 254
 None
 1.10A 1wrlA-4j6oA:
undetectable
1wrlB-4j6oA:
undetectable		 1wrlA-4j6oA:
21.35
1wrlB-4j6oA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kjd INTESTINAL-TYPE
ALKALINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00245
(Alk_phosphatase) 		4 LEU A 190
MET A 133
VAL A 132
SER A 131
 None
 0.88A 1wrlA-4kjdA:
undetectable
1wrlB-4kjdA:
undetectable		 1wrlA-4kjdA:
10.81
1wrlB-4kjdA:
10.81
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 PHE A 742
PHE A 717
VAL A 720
SER A 654
 None
 1.09A 1wrlA-4nenA:
undetectable
1wrlB-4nenA:
undetectable		 1wrlA-4nenA:
6.85
1wrlB-4nenA:
6.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nmn REPLICATIVE DNA
HELICASE

(Aquifex
aeolicus) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		4 LEU A 391
PHE A 196
MET A 353
VAL A 352
 None
 1.05A 1wrlA-4nmnA:
undetectable
1wrlB-4nmnA:
undetectable		 1wrlA-4nmnA:
16.67
1wrlB-4nmnA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pbq PUTATIVE TRAP
PERIPLASMIC SOLUTE
BINDING PROTEIN

(Haemophilus
influenzae) 		PF03480
(DctP) 		4 LEU A 167
PHE A 295
MET A 299
VAL A 300
 None
 0.85A 1wrlA-4pbqA:
undetectable
1wrlB-4pbqA:
undetectable		 1wrlA-4pbqA:
12.89
1wrlB-4pbqA:
12.89
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.
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF00388
(PI-PLC-X) 		4 PHE A 164
PHE A  63
VAL A 280
SER A 241
 None
None
None
INS  A 402 ( 4.7A)
 0.99A 1wrlA-4rv3A:
undetectable
1wrlB-4rv3A:
undetectable		 1wrlA-4rv3A:
14.78
1wrlB-4rv3A:
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.
4s1t URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

(Human
coronavirus
229E) 		PF06471
(NSP11) 		5 PHE A 233
LEU A 251
PHE A 222
MET A 210
SER A 208
 None
 1.32A 1wrlA-4s1tA:
undetectable
1wrlB-4s1tA:
undetectable		 1wrlA-4s1tA:
14.45
1wrlB-4s1tA:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		4 PHE A 437
LEU A 490
VAL A 127
SER A 165
 None
 1.05A 1wrlA-4tr2A:
undetectable
1wrlB-4tr2A:
undetectable		 1wrlA-4tr2A:
7.68
1wrlB-4tr2A:
7.68
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.
4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		4 PHE A 347
LEU A 422
PHE A 366
VAL A 377
 None
 1.03A 1wrlA-4wlhA:
undetectable
1wrlB-4wlhA:
undetectable		 1wrlA-4wlhA:
14.56
1wrlB-4wlhA:
14.56
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.
4wp0 KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		4 PHE A 347
LEU A 422
PHE A 366
VAL A 377
 None
 1.08A 1wrlA-4wp0A:
undetectable
1wrlB-4wp0A:
undetectable		 1wrlA-4wp0A:
13.23
1wrlB-4wp0A:
13.23
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE A 674
PHE A 615
MET A 617
VAL A 518
 None
 1.08A 1wrlA-4yzwA:
undetectable
1wrlB-4yzwA:
undetectable		 1wrlA-4yzwA:
7.64
1wrlB-4yzwA:
7.64
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.
5aid MEP2

(Candida
albicans) 		PF00909
(Ammonium_transp) 		4 PHE A 231
MET A 227
VAL A 226
SER A 223
 None
 1.11A 1wrlA-5aidA:
undetectable
1wrlB-5aidA:
undetectable		 1wrlA-5aidA:
10.88
1wrlB-5aidA:
10.88
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 4 PHE A 160
PHE A 122
MET A 118
VAL A 117
 None
 0.95A 1wrlA-5b7iA:
undetectable
1wrlB-5b7iA:
undetectable		 1wrlA-5b7iA:
6.85
1wrlB-5b7iA:
6.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c90 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Staphylococcus
aureus) 		PF00574
(CLP_protease) 		4 LEU A 126
MET A 121
VAL A 120
SER A 101
 None
None
None
MPD  A2001 (-3.3A)
 1.12A 1wrlA-5c90A:
undetectable
1wrlB-5c90A:
undetectable		 1wrlA-5c90A:
20.51
1wrlB-5c90A:
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.
5cb2 PROTEIN SEY1

(Candida
albicans) 		PF05879
(RHD3) 		4 PHE A  38
MET A 122
VAL A 121
SER A  62
 None
 1.06A 1wrlA-5cb2A:
undetectable
1wrlB-5cb2A:
undetectable		 1wrlA-5cb2A:
8.51
1wrlB-5cb2A:
8.51
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.
5e8k GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE 10,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00348
(polyprenyl_synt) 		4 LEU A 195
PHE A  11
MET A  15
VAL A  16
 None
 0.97A 1wrlA-5e8kA:
undetectable
1wrlB-5e8kA:
undetectable		 1wrlA-5e8kA:
12.25
1wrlB-5e8kA:
12.25
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.
5epf PEROXIREDOXIN

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		4 PHE A  18
LEU A  33
PHE A 109
VAL A 138
 None
 1.12A 1wrlA-5epfA:
undetectable
1wrlB-5epfA:
undetectable		 1wrlA-5epfA:
18.52
1wrlB-5epfA:
18.52
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.
5eyt ADENYLOSUCCINATE
LYASE

(Schistosoma
mansoni) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 LEU A 306
PHE A  24
MET A  20
SER A  17
 None
 0.78A 1wrlA-5eytA:
undetectable
1wrlB-5eytA:
undetectable		 1wrlA-5eytA:
11.48
1wrlB-5eytA:
11.48
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.
5ftg CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		4 LEU A 147
MET A 177
VAL A 178
SER A 181
 None
 1.04A 1wrlA-5ftgA:
undetectable
1wrlB-5ftgA:
undetectable		 1wrlA-5ftgA:
14.24
1wrlB-5ftgA:
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.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		4 PHE A 234
PHE A 192
VAL A 430
MET A 371
 None
 1.06A 1wrlA-5h6sA:
undetectable
1wrlB-5h6sA:
undetectable		 1wrlA-5h6sA:
11.62
1wrlB-5h6sA:
11.62
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.
5hh3 OXYA PROTEIN

(Actinoplanes
teichomyceticus) 		PF00067
(p450) 		4 LEU A  96
PHE A 104
MET A 205
MET A 193
 None
 1.06A 1wrlA-5hh3A:
undetectable
1wrlB-5hh3A:
undetectable		 1wrlA-5hh3A:
13.10
1wrlB-5hh3A:
13.10
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.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		4 PHE A 265
LEU A 174
PHE A 239
MET A 240
 None
 1.01A 1wrlA-5idiA:
undetectable
1wrlB-5idiA:
undetectable		 1wrlA-5idiA:
11.49
1wrlB-5idiA:
11.49
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.
5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT II

(Geobacillus
stearothermophilus) 		PF02322
(Cyt_bd_oxida_II) 		4 MET B 237
VAL B 239
SER B 241
MET B 210
 None
 1.07A 1wrlA-5ir6B:
undetectable
1wrlB-5ir6B:
0.6		 1wrlA-5ir6B:
11.14
1wrlB-5ir6B:
11.14
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		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) 		4 LEU A 680
MET A 769
VAL A 770
SER A 772
 None
 1.11A 1wrlA-5iy9A:
undetectable
1wrlB-5iy9A:
undetectable		 1wrlA-5iy9A:
3.46
1wrlB-5iy9A:
3.46
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.
5jhe PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP7

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase)
PF00515
(TPR_1) 		4 PHE A 144
PHE A  37
VAL A 196
MET A 201
 None
 1.09A 1wrlA-5jheA:
undetectable
1wrlB-5jheA:
undetectable		 1wrlA-5jheA:
14.15
1wrlB-5jheA:
14.15
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 PHE A 100
LEU A 289
PHE A 531
SER A 339
 None
 1.10A 1wrlA-5n28A:
undetectable
1wrlB-5n28A:
undetectable		 1wrlA-5n28A:
10.64
1wrlB-5n28A:
10.64
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.
5n5z RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN3

(Saccharomyces
cerevisiae) 		PF05327
(RRN3) 		4 PHE O 505
MET O 509
VAL O 510
SER O 512
 None
 0.83A 1wrlA-5n5zO:
undetectable
1wrlB-5n5zO:
undetectable		 1wrlA-5n5zO:
8.77
1wrlB-5n5zO:
8.77
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.
5nf4 MINOR FIMBRIUM TIP
SUBUNIT MFA3

(Porphyromonas
gingivalis) 		no annotation 4 PHE A 108
LEU A 101
PHE A 110
SER A  85
 None
 1.03A 1wrlA-5nf4A:
undetectable
1wrlB-5nf4A:
undetectable		 1wrlA-5nf4A:
22.11
1wrlB-5nf4A:
22.11
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.
5o33 KALIRIN

(Rattus
norvegicus) 		PF00621
(RhoGEF) 		4 PHE B1296
LEU B1241
PHE B1321
MET B1398
 None
 0.98A 1wrlA-5o33B:
undetectable
1wrlB-5o33B:
undetectable		 1wrlA-5o33B:
17.68
1wrlB-5o33B:
17.68
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.
5t2n I-ONUI_E-AG007820

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		4 PHE A 200
LEU A 171
PHE A 181
VAL A 261
 None
 1.08A 1wrlA-5t2nA:
undetectable
1wrlB-5t2nA:
undetectable		 1wrlA-5t2nA:
13.85
1wrlB-5t2nA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 PHE A 399
PHE A 413
MET A 411
SER A 324
 None
 0.93A 1wrlA-5t88A:
undetectable
1wrlB-5t88A:
undetectable		 1wrlA-5t88A:
9.63
1wrlB-5t88A:
9.63
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.
5t8d I-ONUI_E-VHIVINT_V2

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		4 PHE A 200
LEU A 171
PHE A 181
VAL A 261
 None
 1.12A 1wrlA-5t8dA:
undetectable
1wrlB-5t8dA:
undetectable		 1wrlA-5t8dA:
15.05
1wrlB-5t8dA:
15.05
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.
5v4l ADENYLOSUCCINATE
LYASE

(Cryptococcus
neoformans) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 LEU A 248
PHE A  21
MET A  17
SER A  14
 None
 1.00A 1wrlA-5v4lA:
undetectable
1wrlB-5v4lA:
undetectable		 1wrlA-5v4lA:
11.23
1wrlB-5v4lA:
11.23
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.
5v4l ADENYLOSUCCINATE
LYASE

(Cryptococcus
neoformans) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 LEU A 304
PHE A  21
MET A  17
SER A  14
 None
 0.81A 1wrlA-5v4lA:
undetectable
1wrlB-5v4lA:
undetectable		 1wrlA-5v4lA:
11.23
1wrlB-5v4lA:
11.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w88 TROPONIN C, TROPONIN
I

(Homo sapiens) 		PF00992
(Troponin)
PF13833
(EF-hand_8) 		5 PHE A  27
LEU A  48
PHE A  77
MET A  81
VAL A  82
 9XG  A 201 (-3.8A)
9XG  A 201 ( 4.8A)
9XG  A 201 (-3.8A)
9XG  A 201 ( 4.6A)
None
 1.23A 1wrlA-5w88A:
11.9
1wrlB-5w88A:
12.2		 1wrlA-5w88A:
100.00
1wrlB-5w88A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w88 TROPONIN C, TROPONIN
I

(Homo sapiens) 		PF00992
(Troponin)
PF13833
(EF-hand_8) 		4 PHE A  77
MET A  81
VAL A  82
SER A  84
 9XG  A 201 (-3.8A)
9XG  A 201 ( 4.6A)
None
9XG  A 201 ( 4.3A)
 0.98A 1wrlA-5w88A:
11.9
1wrlB-5w88A:
12.2		 1wrlA-5w88A:
100.00
1wrlB-5w88A:
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.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 PHE A  29
MET A  33
VAL A  34
SER A  37
 None
 1.00A 1wrlA-5weoA:
undetectable
1wrlB-5weoA:
undetectable		 1wrlA-5weoA:
6.21
1wrlB-5weoA:
6.21
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.
5xyb -

(-) 		no annotation 4 PHE A 253
LEU A 242
VAL A 198
SER A 201
 None
 1.11A 1wrlA-5xybA:
undetectable
1wrlB-5xybA:
undetectable		 1wrlA-5xybA:
undetectable
1wrlB-5xybA:
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.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 4 LEU A 395
PHE A 415
VAL A  19
SER A  18
 None
 1.00A 1wrlA-5ykbA:
undetectable
1wrlB-5ykbA:
undetectable		 1wrlA-5ykbA:
9.84
1wrlB-5ykbA:
9.84
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.
5zov -

(-) 		no annotation 4 LEU A  62
PHE A 244
MET A 240
MET A 360
 None
 0.99A 1wrlA-5zovA:
undetectable
1wrlB-5zovA:
undetectable		 1wrlA-5zovA:
undetectable
1wrlB-5zovA:
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.
6ayi HTH-TYPE
TRANSCRIPTIONAL
REGULATOR UIDR

(Escherichia
coli) 		no annotation 4 PHE A  83
MET A  87
VAL A  88
SER A  90
 None
C3G  A 201 (-4.5A)
None
C3G  A 201 ( 4.8A)
 0.74A 1wrlA-6ayiA:
undetectable
1wrlB-6ayiA:
undetectable		 1wrlA-6ayiA:
23.91
1wrlB-6ayiA:
23.91