SIMILAR PATTERNS OF AMINO ACIDS FOR 4IKJ_A_SUZA201_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.
1bgp BARLEY GRAIN
PEROXIDASE


(Hordeum vulgare)
PF00141
(peroxidase)
4 ALA A  41
LEU A  43
SER A 117
SER A 121
HEM  A 400 (-3.5A)
None
None
None
1.03A 4ikjA-1bgpA:
undetectable
4ikjB-1bgpA:
undetectable
4ikjA-1bgpA:
16.88
4ikjB-1bgpA:
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.
1dlp LECTIN SCAFET
PRECURSOR


(Hyacinthoides
hispanica)
PF01453
(B_lectin)
4 LEU A  62
LEU A  68
SER A  81
THR A  83
None
0.99A 4ikjA-1dlpA:
undetectable
4ikjB-1dlpA:
undetectable
4ikjA-1dlpA:
18.78
4ikjB-1dlpA:
18.78
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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE


(Avian
avulavirus 1)
PF00423
(HN)
4 LEU A 561
ALA A 546
SER A 529
THR A 527
None
0.69A 4ikjA-1e8tA:
undetectable
4ikjB-1e8tA:
undetectable
4ikjA-1e8tA:
15.56
4ikjB-1e8tA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f5j BETA-1,4-XYLANASE

(Dictyoglomus
thermophilum)
PF00457
(Glyco_hydro_11)
4 LYS A  19
LEU A  17
ALA A  44
SER A  76
None
0.85A 4ikjA-1f5jA:
0.0
4ikjB-1f5jA:
undetectable
4ikjA-1f5jA:
19.39
4ikjB-1f5jA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f80 HOLO-(ACYL CARRIER
PROTEIN) SYNTHASE


(Bacillus
subtilis)
PF01648
(ACPS)
4 LEU A   7
ALA A 111
SER A 102
THR A 104
None
None
None
NA  A1255 (-3.8A)
0.84A 4ikjA-1f80A:
undetectable
4ikjB-1f80A:
undetectable
4ikjA-1f80A:
24.24
4ikjB-1f80A:
24.24
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.
1gd3 CYSTATIN A

(Homo sapiens)
PF00031
(Cystatin)
4 LEU A  95
ALA A   9
LEU A   6
SER A   7
None
1.06A 4ikjA-1gd3A:
undetectable
4ikjB-1gd3A:
undetectable
4ikjA-1gd3A:
23.08
4ikjB-1gd3A:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gke TRANSTHYRETIN

(Rattus
norvegicus)
PF00576
(Transthyretin)
5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
None
0.67A 4ikjA-1gkeA:
21.6
4ikjB-1gkeA:
20.4
4ikjA-1gkeA:
83.33
4ikjB-1gkeA:
83.33
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.
1guq GALACTOSE-1-PHOSPHAT
E
URIDYLYLTRANSFERASE


(Escherichia
coli)
PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C)
4 LEU A 119
ALA A 256
LEU A 122
SER A 123
None
1.04A 4ikjA-1guqA:
undetectable
4ikjB-1guqA:
undetectable
4ikjA-1guqA:
16.81
4ikjB-1guqA:
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.
1h4u NIDOGEN-1

(Mus musculus)
PF07474
(G2F)
4 LEU A 623
SER A 439
THR A 441
SER A 430
None
0.85A 4ikjA-1h4uA:
0.0
4ikjB-1h4uA:
0.0
4ikjA-1h4uA:
18.80
4ikjB-1h4uA:
18.80
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE


(Pyrococcus
horikoshii)
PF00291
(PALP)
4 LEU A  94
ALA A  90
LEU A  96
THR A  87
None
0.92A 4ikjA-1j0aA:
undetectable
4ikjB-1j0aA:
undetectable
4ikjA-1j0aA:
19.46
4ikjB-1j0aA:
19.46
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.
1j1w ISOCITRATE
DEHYDROGENASE


(Azotobacter
vinelandii)
PF03971
(IDH)
4 LEU A 577
ALA A  78
SER A 573
THR A  75
None
0.99A 4ikjA-1j1wA:
undetectable
4ikjB-1j1wA:
undetectable
4ikjA-1j1wA:
10.31
4ikjB-1j1wA:
10.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmy BILE-SALT-ACTIVATED
LIPASE


(Homo sapiens)
PF00135
(COesterase)
4 LYS A 361
LEU A 357
ALA A 360
THR A 352
None
1.04A 4ikjA-1jmyA:
undetectable
4ikjB-1jmyA:
undetectable
4ikjA-1jmyA:
12.64
4ikjB-1jmyA:
12.64
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.
1l5j ACONITATE HYDRATASE
2


(Escherichia
coli)
PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N)
4 LEU A 361
ALA A 357
LEU A 363
THR A 354
None
0.87A 4ikjA-1l5jA:
undetectable
4ikjB-1l5jA:
undetectable
4ikjA-1l5jA:
8.33
4ikjB-1l5jA:
8.33
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.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE


(Homo sapiens)
PF02898
(NO_synthase)
4 LEU A 326
ALA A 324
LEU A 328
SER A 409
None
1.04A 4ikjA-1m9qA:
undetectable
4ikjB-1m9qA:
undetectable
4ikjA-1m9qA:
15.48
4ikjB-1m9qA:
15.48
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.
1mk7 TALIN

(Gallus gallus)
PF00373
(FERM_M)
PF02174
(IRS)
4 ALA B 360
SER B 365
THR B 367
SER B 379
None
0.41A 4ikjA-1mk7B:
undetectable
4ikjB-1mk7B:
undetectable
4ikjA-1mk7B:
22.49
4ikjB-1mk7B:
22.49
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.
1nig HYPOTHETICAL PROTEIN
TA1238


(Thermoplasma
acidophilum)
PF09155
(DUF1940)
4 ALA A  29
LEU A 102
SER A 105
SER A 109
None
0.93A 4ikjA-1nigA:
undetectable
4ikjB-1nigA:
undetectable
4ikjA-1nigA:
17.09
4ikjB-1nigA:
17.09
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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli)
no annotation 4 LEU B 344
ALA B 341
LEU B 339
SER B 336
None
1.01A 4ikjA-1p3wB:
undetectable
4ikjB-1p3wB:
undetectable
4ikjA-1p3wB:
15.71
4ikjB-1p3wB:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli)
no annotation 4 LEU B 344
ALA B 341
LEU B 339
THR B 102
None
1.03A 4ikjA-1p3wB:
undetectable
4ikjB-1p3wB:
undetectable
4ikjA-1p3wB:
15.71
4ikjB-1p3wB:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgj PEROXIDASE N

(Arabidopsis
thaliana)
PF00141
(peroxidase)
4 ALA A  34
LEU A  36
SER A 105
SER A 109
HEM  A1350 (-3.7A)
None
None
None
0.99A 4ikjA-1qgjA:
undetectable
4ikjB-1qgjA:
undetectable
4ikjA-1qgjA:
20.38
4ikjB-1qgjA:
20.38
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.
1rgw ZASP PROTEIN

(Homo sapiens)
PF00595
(PDZ)
4 ALA A  51
SER A  77
THR A  79
SER A   4
None
0.89A 4ikjA-1rgwA:
undetectable
4ikjB-1rgwA:
undetectable
4ikjA-1rgwA:
17.42
4ikjB-1rgwA:
17.42
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT


(Thauera
aromatica)
PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C)
4 LEU B 252
ALA B 240
LEU B 242
SER B 219
None
0.96A 4ikjA-1sb3B:
undetectable
4ikjB-1sb3B:
undetectable
4ikjA-1sb3B:
16.72
4ikjB-1sb3B:
16.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sn2 TRANSTHYRETIN

(Sparus aurata)
PF00576
(Transthyretin)
5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
None
0.64A 4ikjA-1sn2A:
20.4
4ikjB-1sn2A:
20.8
4ikjA-1sn2A:
54.62
4ikjB-1sn2A:
54.62
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.
1t4n RIBONUCLEASE III

(Saccharomyces
cerevisiae)
PF00035
(dsrm)
4 LYS A 443
ALA A 446
LEU A 377
SER A 376
None
0.99A 4ikjA-1t4nA:
undetectable
4ikjB-1t4nA:
undetectable
4ikjA-1t4nA:
22.88
4ikjB-1t4nA:
22.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tfp TRANSTHYRETIN

(Gallus gallus)
PF00576
(Transthyretin)
6 LYS A  15
LEU A  17
ALA A 108
LEU A 110
SER A 117
THR A 119
None
0.60A 4ikjA-1tfpA:
19.7
4ikjB-1tfpA:
19.1
4ikjA-1tfpA:
73.85
4ikjB-1tfpA:
73.85
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.
1tvz 3-HYDROXY-3-METHYLGL
UTARYL-COA SYNTHASE


(Staphylococcus
aureus)
PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C)
4 LYS A   2
ALA A 170
SER A 315
THR A 317
None
0.87A 4ikjA-1tvzA:
undetectable
4ikjB-1tvzA:
undetectable
4ikjA-1tvzA:
15.95
4ikjB-1tvzA:
15.95
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.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli)
PF02541
(Ppx-GppA)
4 LEU A 124
ALA A 122
LEU A 297
SER A 148
None
None
None
SO4  A 701 (-4.2A)
1.03A 4ikjA-1u6zA:
undetectable
4ikjB-1u6zA:
undetectable
4ikjA-1u6zA:
13.50
4ikjB-1u6zA:
13.50
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.
1urd MALTOSE-BINDING
PROTEIN


(Alicyclobacillus
acidocaldarius)
PF01547
(SBP_bac_1)
4 ALA A 301
LEU A 305
THR A 298
SER A 296
None
1.00A 4ikjA-1urdA:
undetectable
4ikjB-1urdA:
undetectable
4ikjA-1urdA:
16.53
4ikjB-1urdA:
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.
1uun MSPA

(Mycolicibacterium
smegmatis)
PF09203
(MspA)
4 LEU A  62
ALA A 164
LEU A 166
THR A 176
None
0.77A 4ikjA-1uunA:
3.0
4ikjB-1uunA:
3.1
4ikjA-1uunA:
22.83
4ikjB-1uunA:
22.83
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.
1vch PHOSPHORIBOSYLTRANSF
ERASE-RELATED
PROTEIN


(Thermus
thermophilus)
PF00156
(Pribosyltran)
4 LEU A  45
ALA A  41
LEU A  70
THR A  38
None
1.05A 4ikjA-1vchA:
undetectable
4ikjB-1vchA:
undetectable
4ikjA-1vchA:
21.14
4ikjB-1vchA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x7p RRNA
METHYLTRANSFERASE


(Streptomyces
viridochromogenes)
PF00588
(SpoU_methylase)
4 LEU A 261
ALA A 269
THR A 268
SER A 146
SAM  A 301 (-4.1A)
None
None
None
0.99A 4ikjA-1x7pA:
undetectable
4ikjB-1x7pA:
undetectable
4ikjA-1x7pA:
16.67
4ikjB-1x7pA:
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.
1ykd ADENYLATE CYCLASE

(Anabaena sp.)
PF01590
(GAF)
4 LYS A 200
ALA A 101
LEU A 180
THR A 104
None
1.01A 4ikjA-1ykdA:
undetectable
4ikjB-1ykdA:
undetectable
4ikjA-1ykdA:
15.98
4ikjB-1ykdA:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bnh RIBONUCLEASE
INHIBITOR


(Sus scrofa)
PF13516
(LRR_6)
4 LEU A 370
LEU A 395
SER A 394
THR A 365
None
1.03A 4ikjA-2bnhA:
undetectable
4ikjB-2bnhA:
undetectable
4ikjA-2bnhA:
13.36
4ikjB-2bnhA:
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.
2c2i RV0130

(Mycobacterium
tuberculosis)
PF01575
(MaoC_dehydratas)
4 LEU A  91
ALA A 143
THR A 129
SER A 110
None
0.74A 4ikjA-2c2iA:
undetectable
4ikjB-2c2iA:
undetectable
4ikjA-2c2iA:
23.03
4ikjB-2c2iA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cdp BETA-AGARASE 1

(Saccharophagus
degradans)
PF03422
(CBM_6)
4 ALA A   6
SER A 137
THR A 135
SER A  62
None
0.97A 4ikjA-2cdpA:
undetectable
4ikjB-2cdpA:
undetectable
4ikjA-2cdpA:
20.61
4ikjB-2cdpA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri)
PF13412
(HTH_24)
PF14520
(HHH_5)
5 LYS A  28
LEU A 254
LEU A  62
SER A  65
SER A  69
None
1.33A 4ikjA-2csdA:
undetectable
4ikjB-2csdA:
undetectable
4ikjA-2csdA:
13.15
4ikjB-2csdA:
13.15
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.
2hr2 HYPOTHETICAL PROTEIN

(Chlorobaculum
tepidum)
PF12968
(DUF3856)
4 ALA A  82
LEU A  99
SER A 102
SER A 106
None
None
GOL  A 159 (-2.8A)
GOL  A 159 ( 4.4A)
0.93A 4ikjA-2hr2A:
undetectable
4ikjB-2hr2A:
undetectable
4ikjA-2hr2A:
24.05
4ikjB-2hr2A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6v GENERAL SECRETION
PATHWAY PROTEIN C


(Vibrio cholerae)
no annotation 4 LEU A 267
ALA A 263
SER A 289
THR A 291
None
0.94A 4ikjA-2i6vA:
undetectable
4ikjB-2i6vA:
undetectable
4ikjA-2i6vA:
17.32
4ikjB-2i6vA:
17.32
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.
2igt SAM DEPENDENT
METHYLTRANSFERASE


(Agrobacterium
fabrum)
PF10672
(Methyltrans_SAM)
4 LEU A  16
LEU A 282
SER A 301
THR A 251
ACY  A1010 (-4.9A)
None
None
None
0.80A 4ikjA-2igtA:
undetectable
4ikjB-2igtA:
undetectable
4ikjA-2igtA:
17.95
4ikjB-2igtA:
17.95
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.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE


(Homo sapiens)
PF00282
(Pyridoxal_deC)
5 LEU A 201
ALA A 199
LEU A 203
SER A 207
THR A 205
None
1.45A 4ikjA-2jisA:
undetectable
4ikjB-2jisA:
undetectable
4ikjA-2jisA:
12.97
4ikjB-2jisA:
12.97
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.
2lpv FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE


(Aedes aegypti)
PF00254
(FKBP_C)
4 LYS A  74
LEU A   8
THR A  28
SER A  39
None
1.06A 4ikjA-2lpvA:
undetectable
4ikjB-2lpvA:
undetectable
4ikjA-2lpvA:
21.80
4ikjB-2lpvA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2opi L-FUCULOSE-1-PHOSPHA
TE ALDOLASE


(Bacteroides
thetaiotaomicron)
PF00596
(Aldolase_II)
4 LEU A  92
LEU A  30
SER A  41
SER A  45
None
1.00A 4ikjA-2opiA:
undetectable
4ikjB-2opiA:
undetectable
4ikjA-2opiA:
19.25
4ikjB-2opiA:
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.
2oxf URIDINE
PHOSPHORYLASE


(Salmonella
enterica)
PF01048
(PNP_UDP_1)
4 ALA A1124
LEU A1121
SER A1120
THR A1204
None
1.05A 4ikjA-2oxfA:
undetectable
4ikjB-2oxfA:
undetectable
4ikjA-2oxfA:
20.48
4ikjB-2oxfA:
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.
2pfc HYPOTHETICAL PROTEIN
RV0098/MT0107


(Mycobacterium
tuberculosis)
PF10862
(FcoT)
4 LEU A 141
LEU A  54
SER A  47
THR A  49
None
0.84A 4ikjA-2pfcA:
undetectable
4ikjB-2pfcA:
undetectable
4ikjA-2pfcA:
18.85
4ikjB-2pfcA:
18.85
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.
2pia PHTHALATE
DIOXYGENASE
REDUCTASE


(Burkholderia
cepacia)
PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
4 LEU A 319
LEU A 321
SER A 245
THR A 247
None
0.96A 4ikjA-2piaA:
undetectable
4ikjB-2piaA:
undetectable
4ikjA-2piaA:
18.04
4ikjB-2piaA:
18.04
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.
2pq6 UDP-GLUCURONOSYL/UDP
-GLUCOSYLTRANSFERASE


(Medicago
truncatula)
PF00201
(UDPGT)
4 LEU A 237
ALA A 456
SER A 466
THR A 460
None
1.04A 4ikjA-2pq6A:
undetectable
4ikjB-2pq6A:
undetectable
4ikjA-2pq6A:
14.25
4ikjB-2pq6A:
14.25
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.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii)
PF01823
(MACPF)
4 ALA A 150
SER A 216
THR A 218
SER A 262
None
0.46A 4ikjA-2qp2A:
undetectable
4ikjB-2qp2A:
undetectable
4ikjA-2qp2A:
13.13
4ikjB-2qp2A:
13.13
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.
2qq6 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN


(Rubrobacter
xylanophilus)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 LEU A 236
LEU A 239
THR A 258
SER A 257
None
0.96A 4ikjA-2qq6A:
undetectable
4ikjB-2qq6A:
undetectable
4ikjA-2qq6A:
15.62
4ikjB-2qq6A:
15.62
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.
2qx2 SEX PHEROMONE
STAPH-CAM373


(Staphylococcus
aureus)
PF07537
(CamS)
4 LYS A 325
LEU A 286
SER A 289
THR A 291
None
1.01A 4ikjA-2qx2A:
undetectable
4ikjB-2qx2A:
undetectable
4ikjA-2qx2A:
16.37
4ikjB-2qx2A:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r6r CELL DIVISION
PROTEIN FTSZ


(Aquifex
aeolicus)
PF00091
(Tubulin)
PF12327
(FtsZ_C)
4 LYS 1  54
ALA 1  38
LEU 1  36
SER 1  98
None
0.91A 4ikjA-2r6r1:
undetectable
4ikjB-2r6r1:
undetectable
4ikjA-2r6r1:
18.71
4ikjB-2r6r1:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN


(Paraburkholderia
phytofirmans)
PF13407
(Peripla_BP_4)
4 LEU A 309
ALA A 147
LEU A 312
SER A 319
None
1.01A 4ikjA-2rjoA:
undetectable
4ikjB-2rjoA:
undetectable
4ikjA-2rjoA:
18.21
4ikjB-2rjoA:
18.21
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli)
PF01306
(LacY_symp)
4 LEU A 222
LEU A 225
THR A 399
SER A 396
None
1.03A 4ikjA-2v8nA:
undetectable
4ikjB-2v8nA:
undetectable
4ikjA-2v8nA:
14.46
4ikjB-2v8nA:
14.46
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.
2v9u MSPA

(Mycolicibacterium
smegmatis)
PF09203
(MspA)
4 LEU A  62
ALA A 164
LEU A 166
THR A 176
LEU  A  62 ( 0.5A)
ALA  A 164 ( 0.0A)
LEU  A 166 ( 0.5A)
THR  A 176 ( 0.8A)
0.69A 4ikjA-2v9uA:
3.2
4ikjB-2v9uA:
3.2
4ikjA-2v9uA:
23.88
4ikjB-2v9uA:
23.88
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE


(Methanocaldococcus
jannaschii)
PF00814
(Peptidase_M22)
PF01163
(RIO1)
4 LYS A 489
ALA A 490
THR A 453
SER A 455
None
0.95A 4ikjA-2vwbA:
undetectable
4ikjB-2vwbA:
undetectable
4ikjA-2vwbA:
11.80
4ikjB-2vwbA:
11.80
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.
2w0m SSO2452

(Sulfolobus
solfataricus)
PF06745
(ATPase)
4 LEU A 127
ALA A 163
SER A  40
THR A 164
None
1.04A 4ikjA-2w0mA:
undetectable
4ikjB-2w0mA:
undetectable
4ikjA-2w0mA:
21.84
4ikjB-2w0mA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w6d DYNAMIN FAMILY
PROTEIN


(Nostoc
punctiforme)
PF00350
(Dynamin_N)
4 LEU A  49
ALA A  38
LEU A  51
THR A  34
None
0.91A 4ikjA-2w6dA:
undetectable
4ikjB-2w6dA:
undetectable
4ikjA-2w6dA:
12.22
4ikjB-2w6dA:
12.22
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.
2wua ACETOACETYL COA
THIOLASE


(Helianthus
annuus)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
4 LEU A  77
LEU A 163
SER A 102
THR A 131
None
1.04A 4ikjA-2wuaA:
undetectable
4ikjB-2wuaA:
undetectable
4ikjA-2wuaA:
14.75
4ikjB-2wuaA:
14.75
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.
2xf2 CATALASE

(Penicillium
janthinellum)
PF00199
(Catalase)
PF06628
(Catalase-rel)
4 LEU A 289
LEU A 290
THR A 436
SER A 434
None
1.03A 4ikjA-2xf2A:
undetectable
4ikjB-2xf2A:
undetectable
4ikjA-2xf2A:
10.94
4ikjB-2xf2A:
10.94
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.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus)
PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N)
4 LEU A 369
ALA A 402
LEU A 414
SER A 473
None
0.95A 4ikjA-2xn1A:
undetectable
4ikjB-2xn1A:
undetectable
4ikjA-2xn1A:
11.35
4ikjB-2xn1A:
11.35
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.
2y24 XYLANASE

(Dickeya
chrysanthemi)
PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C)
4 ALA A 351
SER A 406
THR A 408
SER A 377
None
0.67A 4ikjA-2y24A:
undetectable
4ikjB-2y24A:
undetectable
4ikjA-2y24A:
15.79
4ikjB-2y24A:
15.79
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.
3aib GLUCOSYLTRANSFERASE-
SI


(Streptococcus
mutans)
PF02324
(Glyco_hydro_70)
4 LYS A 549
LEU A 544
SER A 643
THR A 640
None
1.03A 4ikjA-3aibA:
undetectable
4ikjB-3aibA:
undetectable
4ikjA-3aibA:
9.52
4ikjB-3aibA:
9.52
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.
3d1r FRUCTOSE-1,6-BISPHOS
PHATASE CLASS II
GLPX


(Escherichia
coli)
PF03320
(FBPase_glpX)
4 ALA A 102
LEU A 104
SER A 281
THR A 283
None
0.62A 4ikjA-3d1rA:
undetectable
4ikjB-3d1rA:
undetectable
4ikjA-3d1rA:
16.17
4ikjB-3d1rA:
16.17
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.
3e0l GUANINE DEAMINASE

(Homo sapiens)
PF01979
(Amidohydro_1)
4 LEU A 338
ALA A 340
SER A 334
THR A 327
None
1.06A 4ikjA-3e0lA:
undetectable
4ikjB-3e0lA:
undetectable
4ikjA-3e0lA:
15.84
4ikjB-3e0lA:
15.84
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.
3ea0 ATPASE, PARA FAMILY

(Chlorobaculum
tepidum)
PF13614
(AAA_31)
4 ALA A 223
LEU A 220
SER A 218
SER A 212
None
1.02A 4ikjA-3ea0A:
undetectable
4ikjB-3ea0A:
undetectable
4ikjA-3ea0A:
21.07
4ikjB-3ea0A:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fc8 TRANSTHYRETIN

(Homo sapiens)
PF00576
(Transthyretin)
5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
IFA  A3000 (-3.0A)
IFA  A3000 ( 4.7A)
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
IFA  A3000 ( 4.9A)
0.63A 4ikjA-3fc8A:
23.6
4ikjB-3fc8A:
22.6
4ikjA-3fc8A:
100.00
4ikjB-3fc8A:
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.
3g9w TALIN-2

(Mus musculus)
PF00373
(FERM_M)
PF02174
(IRS)
4 ALA A 363
SER A 368
THR A 370
SER A 382
None
0.69A 4ikjA-3g9wA:
undetectable
4ikjB-3g9wA:
undetectable
4ikjA-3g9wA:
20.48
4ikjB-3g9wA:
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.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609


(Methanocaldococcus
jannaschii)
PF13520
(AA_permease_2)
4 ALA C 296
LEU C  93
SER C  96
SER C 100
None
1.05A 4ikjA-3gi8C:
undetectable
4ikjB-3gi8C:
undetectable
4ikjA-3gi8C:
18.36
4ikjB-3gi8C:
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.
3gnn NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE


(Burkholderia
pseudomallei)
PF01729
(QRPTase_C)
PF02749
(QRPTase_N)
4 LEU A 118
LEU A 121
SER A 125
THR A 286
None
1.03A 4ikjA-3gnnA:
undetectable
4ikjB-3gnnA:
undetectable
4ikjA-3gnnA:
18.15
4ikjB-3gnnA:
18.15
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.
3hlz UNCHARACTERIZED
PROTEIN BT_1490


(Bacteroides
thetaiotaomicron)
PF12712
(DUF3805)
PF12713
(DUF3806)
4 LEU A  32
SER A 110
THR A 112
SER A  95
None
0.88A 4ikjA-3hlzA:
undetectable
4ikjB-3hlzA:
undetectable
4ikjA-3hlzA:
18.39
4ikjB-3hlzA:
18.39
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.
3hri HISTIDYL-TRNA
SYNTHETASE


(Trypanosoma
brucei)
PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His)
4 ALA A 353
LEU A 345
SER A 350
THR A 352
None
0.96A 4ikjA-3hriA:
undetectable
4ikjB-3hriA:
undetectable
4ikjA-3hriA:
14.45
4ikjB-3hriA:
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.
3i1a SPECTINOMYCIN
PHOSPHOTRANSFERASE


(Legionella
pneumophila)
PF01636
(APH)
4 LYS A 311
LEU A 307
LEU A 170
SER A 176
None
0.97A 4ikjA-3i1aA:
undetectable
4ikjB-3i1aA:
undetectable
4ikjA-3i1aA:
16.50
4ikjB-3i1aA:
16.50
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.
3i44 ALDEHYDE
DEHYDROGENASE


(Bartonella
henselae)
PF00171
(Aldedh)
4 LEU A 173
LEU A 146
SER A 224
THR A 226
None
0.84A 4ikjA-3i44A:
undetectable
4ikjB-3i44A:
undetectable
4ikjA-3i44A:
13.77
4ikjB-3i44A:
13.77
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.
3ijt PUTATIVE
UNCHARACTERIZED
PROTEIN


(Streptococcus
mutans)
no annotation 4 LEU A  74
LEU A  83
SER A 103
SER A   0
None
0.98A 4ikjA-3ijtA:
undetectable
4ikjB-3ijtA:
undetectable
4ikjA-3ijtA:
21.95
4ikjB-3ijtA:
21.95
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.
3ivf TALIN-1

(Mus musculus)
PF00373
(FERM_M)
PF02174
(IRS)
PF09379
(FERM_N)
PF16511
(FERM_f0)
4 ALA A 360
SER A 365
THR A 367
SER A 379
None
0.73A 4ikjA-3ivfA:
undetectable
4ikjB-3ivfA:
undetectable
4ikjA-3ivfA:
15.01
4ikjB-3ivfA:
15.01
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.
3iwk AMINOALDEHYDE
DEHYDROGENASE


(Pisum sativum)
PF00171
(Aldedh)
4 LEU A 184
LEU A 157
SER A 235
THR A 237
None
0.97A 4ikjA-3iwkA:
undetectable
4ikjB-3iwkA:
undetectable
4ikjA-3iwkA:
13.12
4ikjB-3iwkA:
13.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iwu 5-HYDROXYISOURATE
HYDROLASE


(Danio rerio)
PF00576
(Transthyretin)
4 LEU A  14
LEU A 107
SER A 114
THR A 116
None
0.75A 4ikjA-3iwuA:
19.5
4ikjB-3iwuA:
19.6
4ikjA-3iwuA:
32.86
4ikjB-3iwuA:
32.86
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.
3k96 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]


(Coxiella
burnetii)
PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C)
4 LEU A 324
ALA A 198
SER A 202
THR A 199
None
1.02A 4ikjA-3k96A:
undetectable
4ikjB-3k96A:
undetectable
4ikjA-3k96A:
14.70
4ikjB-3k96A:
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.
3kq5 HYPOTHETICAL
CYTOSOLIC PROTEIN


(Coxiella
burnetii)
PF07515
(TraI_2_C)
4 LEU A 257
ALA A 253
THR A 250
SER A 247
None
1.04A 4ikjA-3kq5A:
undetectable
4ikjB-3kq5A:
undetectable
4ikjA-3kq5A:
13.45
4ikjB-3kq5A:
13.45
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.
3l7y PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1108C


(Streptococcus
mutans)
PF08282
(Hydrolase_3)
4 LEU A 134
ALA A 106
SER A 108
THR A 152
None
1.06A 4ikjA-3l7yA:
undetectable
4ikjB-3l7yA:
undetectable
4ikjA-3l7yA:
19.44
4ikjB-3l7yA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m7d TOPOISOMERASE V

(Methanopyrus
kandleri)
PF13412
(HTH_24)
5 LYS A  28
LEU A 254
LEU A  62
SER A  65
SER A  69
None
1.27A 4ikjA-3m7dA:
undetectable
4ikjB-3m7dA:
undetectable
4ikjA-3m7dA:
16.99
4ikjB-3m7dA:
16.99
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.
3mbe MHC CLASS II H2-IAG7
BETA CHAIN


(Mus musculus)
PF00969
(MHC_II_beta)
PF07654
(C1-set)
4 LEU B  26
ALA B  78
LEU B  75
THR B  77
None
1.01A 4ikjA-3mbeB:
undetectable
4ikjB-3mbeB:
2.6
4ikjA-3mbeB:
17.62
4ikjB-3mbeB:
17.62
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.
3mmt FRUCTOSE-BISPHOSPHAT
E ALDOLASE


(Bartonella
henselae)
PF00274
(Glycolytic)
4 LYS A 223
ALA A 261
LEU A  12
THR A 290
2FP  A 350 (-2.2A)
None
None
None
1.00A 4ikjA-3mmtA:
undetectable
4ikjB-3mmtA:
undetectable
4ikjA-3mmtA:
15.70
4ikjB-3mmtA:
15.70
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.
3nsj PERFORIN-1

(Mus musculus)
PF00168
(C2)
PF01823
(MACPF)
4 ALA A 106
SER A 170
THR A 172
SER A 233
None
0.52A 4ikjA-3nsjA:
3.3
4ikjB-3nsjA:
undetectable
4ikjA-3nsjA:
14.56
4ikjB-3nsjA:
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.
3nuu PKB-LIKE

(Homo sapiens)
PF00069
(Pkinase)
4 LYS A 111
LEU A 113
LEU A 155
THR A 148
SO4  A   5 (-2.8A)
None
None
SO4  A 369 (-3.7A)
0.75A 4ikjA-3nuuA:
undetectable
4ikjB-3nuuA:
undetectable
4ikjA-3nuuA:
18.88
4ikjB-3nuuA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oks 4-AMINOBUTYRATE
TRANSAMINASE


(Mycolicibacterium
smegmatis)
PF00202
(Aminotran_3)
4 LYS A 209
LEU A 206
ALA A 208
SER A 188
None
0.99A 4ikjA-3oksA:
undetectable
4ikjB-3oksA:
undetectable
4ikjA-3oksA:
14.16
4ikjB-3oksA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pei CYTOSOL
AMINOPEPTIDASE


(Francisella
tularensis)
PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N)
4 LEU A 290
ALA A 286
LEU A 292
THR A 283
EDO  A 491 (-4.2A)
None
None
None
1.00A 4ikjA-3peiA:
undetectable
4ikjB-3peiA:
undetectable
4ikjA-3peiA:
13.07
4ikjB-3peiA:
13.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3phf ENVELOPE
GLYCOPROTEIN H


(Human
gammaherpesvirus
4)
no annotation 4 LEU A 351
ALA A 104
LEU A 348
SER A 345
None
0.86A 4ikjA-3phfA:
undetectable
4ikjB-3phfA:
undetectable
4ikjA-3phfA:
11.95
4ikjB-3phfA:
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.
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 LEU B 280
LEU B 264
SER B 317
THR B 319
None
0.84A 4ikjA-3prxB:
3.5
4ikjB-3prxB:
3.6
4ikjA-3prxB:
6.13
4ikjB-3prxB:
6.13
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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL


(Homo sapiens)
PF00271
(Helicase_C)
PF12513
(SUV3_C)
4 LEU A 235
ALA A 237
LEU A 233
THR A 275
None
0.91A 4ikjA-3rc3A:
undetectable
4ikjB-3rc3A:
undetectable
4ikjA-3rc3A:
12.70
4ikjB-3rc3A:
12.70
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.
3s3t NUCLEOTIDE-BINDING
PROTEIN, UNIVERSAL
STRESS PROTEIN USPA
FAMILY


(Lactobacillus
plantarum)
PF00582
(Usp)
4 LEU A  36
ALA A  83
LEU A  86
THR A  81
None
0.98A 4ikjA-3s3tA:
undetectable
4ikjB-3s3tA:
undetectable
4ikjA-3s3tA:
22.44
4ikjB-3s3tA:
22.44
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.
3s6j HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY


(Pseudomonas
syringae group
genomosp. 3)
PF13419
(HAD_2)
5 LEU A 231
ALA A 228
LEU A 226
THR A 119
SER A 121
None
1.50A 4ikjA-3s6jA:
undetectable
4ikjB-3s6jA:
undetectable
4ikjA-3s6jA:
19.47
4ikjB-3s6jA:
19.47
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.
3sag EXOSOME COMPONENT 10

(Homo sapiens)
PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1)
4 LEU A 396
ALA A 392
LEU A 398
THR A 389
LEU  A 396 ( 0.6A)
ALA  A 392 ( 0.0A)
LEU  A 398 ( 0.6A)
THR  A 389 ( 0.8A)
0.96A 4ikjA-3sagA:
undetectable
4ikjB-3sagA:
undetectable
4ikjA-3sagA:
14.59
4ikjB-3sagA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6s CERJ

(Streptomyces
tendae)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 LEU A 240
ALA A 243
LEU A 239
THR A 187
None
0.94A 4ikjA-3t6sA:
undetectable
4ikjB-3t6sA:
undetectable
4ikjA-3t6sA:
16.48
4ikjB-3t6sA:
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.
3tsr RIBONUCLEASE
INHIBITOR


(Mus musculus)
PF13516
(LRR_6)
4 LEU E 370
LEU E 395
SER E 394
THR E 365
None
1.02A 4ikjA-3tsrE:
undetectable
4ikjB-3tsrE:
undetectable
4ikjA-3tsrE:
15.23
4ikjB-3tsrE:
15.23
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN


(Escherichia
coli)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF)
4 LEU A 484
ALA A 498
SER A 695
THR A 500
None
0.97A 4ikjA-3ttfA:
undetectable
4ikjB-3ttfA:
undetectable
4ikjA-3ttfA:
10.81
4ikjB-3ttfA:
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE


(Klebsiella
pneumoniae)
PF14486
(DUF4432)
4 LYS A 184
LEU A 182
LEU A 196
SER A 360
None
0.81A 4ikjA-3ty1A:
undetectable
4ikjB-3ty1A:
undetectable
4ikjA-3ty1A:
17.45
4ikjB-3ty1A:
17.45
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE


(Klebsiella
pneumoniae)
PF14486
(DUF4432)
4 LYS A 184
LEU A 196
THR A 215
SER A 360
None
0.44A 4ikjA-3ty1A:
undetectable
4ikjB-3ty1A:
undetectable
4ikjA-3ty1A:
17.45
4ikjB-3ty1A:
17.45
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.
3ty7 PUTATIVE ALDEHYDE
DEHYDROGENASE
SAV2122


(Staphylococcus
aureus)
PF00171
(Aldedh)
4 LEU A 169
LEU A 142
SER A 220
THR A 222
None
0.79A 4ikjA-3ty7A:
undetectable
4ikjB-3ty7A:
undetectable
4ikjA-3ty7A:
14.22
4ikjB-3ty7A:
14.22
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.
3uk2 PANTOTHENATE
SYNTHETASE


(Burkholderia
thailandensis)
PF02569
(Pantoate_ligase)
4 LEU A 268
ALA A 266
LEU A 273
THR A 264
None
1.00A 4ikjA-3uk2A:
undetectable
4ikjB-3uk2A:
undetectable
4ikjA-3uk2A:
18.44
4ikjB-3uk2A:
18.44
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.
3uyj LYSINE-SPECIFIC
DEMETHYLASE 8


(Homo sapiens)
PF13621
(Cupin_8)
4 LEU A 392
LEU A 329
SER A 410
SER A 408
None
AKG  A 601 ( 4.4A)
AKG  A 601 ( 4.7A)
None
0.95A 4ikjA-3uyjA:
undetectable
4ikjB-3uyjA:
undetectable
4ikjA-3uyjA:
18.55
4ikjB-3uyjA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vot L-AMINO ACID LIGASE,
BL00235


(Bacillus
licheniformis)
PF13535
(ATP-grasp_4)
4 LEU A  97
ALA A  93
LEU A  99
THR A  90
None
0.97A 4ikjA-3votA:
undetectable
4ikjB-3votA:
undetectable
4ikjA-3votA:
14.52
4ikjB-3votA:
14.52