SIMILAR PATTERNS OF AMINO ACIDS FOR 4I89_A_1FLA201_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.
1a1s ORNITHINE
CARBAMOYLTRANSFERASE


(Pyrococcus
furiosus)
PF00185
(OTCace)
PF02729
(OTCace_N)
4 LEU A 139
ALA A 303
LEU A  24
THR A  26
None
1.07A 4i89A-1a1sA:
undetectable
4i89A-1a1sA:
15.53
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.
1c07 PROTEIN (EPIDERMAL
GROWTH FACTOR
RECEPTOR PATHWAY
SUBSTRATE 15)


(Homo sapiens)
PF12763
(EF-hand_4)
4 LEU A  80
LEU A  60
SER A  59
THR A  63
None
1.02A 4i89A-1c07A:
undetectable
4i89A-1c07A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cs1 PROTEIN
(CYSTATHIONINE
GAMMA-SYNTHASE)


(Escherichia
coli)
PF01053
(Cys_Met_Meta_PP)
4 LEU A 372
LEU A 320
SER A 319
THR A 322
None
1.03A 4i89A-1cs1A:
0.0
4i89A-1cs1A:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6b GLUTATHIONE
S-TRANSFERASE


(Arabidopsis
thaliana)
PF13409
(GST_N_2)
PF14497
(GST_C_3)
4 LEU A 147
ALA A 159
LEU A 150
THR A 160
None
None
None
BME  A 389 ( 4.9A)
1.02A 4i89A-1e6bA:
undetectable
4i89A-1e6bA:
19.16
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.
1eb3 5-AMINOLAEVULINIC
ACID DEHYDRATASE


(Saccharomyces
cerevisiae)
PF00490
(ALAD)
4 LYS A  81
LEU A  78
ALA A  80
LEU A  75
None
1.05A 4i89A-1eb3A:
undetectable
4i89A-1eb3A:
14.08
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 LEU A  17
ALA A 108
LEU A 110
SER A 117
THR A 119
None
0.28A 4i89A-1gkeA:
22.1
4i89A-1gkeA:
82.50
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.
1guq GALACTOSE-1-PHOSPHAT
E
URIDYLYLTRANSFERASE


(Escherichia
coli)
PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C)
5 LEU A 119
ALA A 256
LEU A 122
SER A 123
THR A 128
None
1.43A 4i89A-1guqA:
undetectable
4i89A-1guqA:
17.39
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.
1hju BETA-1,4-GALACTANASE

(Thermothelomyces
thermophila)
PF07745
(Glyco_hydro_53)
5 LEU A 120
ALA A 116
LEU A 169
SER A 167
THR A 113
None
1.29A 4i89A-1hjuA:
undetectable
4i89A-1hjuA:
18.37
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.
1i36 CONSERVED
HYPOTHETICAL PROTEIN
MTH1747


(Methanothermobacter
thermautotrophicus)
PF03807
(F420_oxidored)
PF09130
(DUF1932)
4 LEU A 183
ALA A 179
LEU A 185
THR A 176
None
0.95A 4i89A-1i36A:
undetectable
4i89A-1i36A:
18.59
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE


(Pyrococcus
horikoshii)
PF00291
(PALP)
4 LEU A  94
ALA A  90
LEU A  96
THR A  87
None
0.94A 4i89A-1j0aA:
undetectable
4i89A-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.
1jmy BILE-SALT-ACTIVATED
LIPASE


(Homo sapiens)
PF00135
(COesterase)
4 LYS A 361
LEU A 357
ALA A 360
THR A 352
None
0.82A 4i89A-1jmyA:
undetectable
4i89A-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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X


(Streptococcus
pneumoniae)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA)
4 LEU A 585
ALA A 291
LEU A 293
THR A 305
None
0.81A 4i89A-1k25A:
undetectable
4i89A-1k25A:
12.81
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.
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
0.91A 4i89A-1l5jA:
undetectable
4i89A-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.
1lur ALDOSE 1-EPIMERASE

(Caenorhabditis
elegans)
PF01263
(Aldose_epim)
4 LEU A1018
ALA A1023
LEU A1025
THR A1060
None
1.05A 4i89A-1lurA:
undetectable
4i89A-1lurA:
18.32
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.
1miu BREAST CANCER TYPE 2
SUSCEPTIBILITY
PROTEIN


(Mus musculus)
PF09103
(BRCA-2_OB1)
PF09104
(BRCA-2_OB3)
PF09121
(Tower)
PF09169
(BRCA-2_helical)
4 LEU A2906
ALA A2948
LEU A2946
SER A2933
None
1.00A 4i89A-1miuA:
undetectable
4i89A-1miuA:
10.68
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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli)
no annotation 4 LEU B 344
ALA B 341
LEU B 339
THR B 102
None
0.90A 4i89A-1p3wB:
undetectable
4i89A-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.
1rvk ISOMERASE/LACTONIZIN
G ENZYME


(Agrobacterium
fabrum)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 ALA A  36
LEU A  38
SER A  50
THR A  52
None
1.02A 4i89A-1rvkA:
undetectable
4i89A-1rvkA:
17.65
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.
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
0.90A 4i89A-1sb3B:
undetectable
4i89A-1sb3B:
15.69
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)
4 LEU A  17
ALA A 108
LEU A 110
THR A 119
None
0.37A 4i89A-1sn2A:
20.7
4i89A-1sn2A:
55.38
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)
4 LYS A  15
LEU A  17
ALA A 108
LEU A 110
None
0.74A 4i89A-1sn2A:
20.7
4i89A-1sn2A:
55.38
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.
1sqg SUN PROTEIN

(Escherichia
coli)
PF01029
(NusB)
PF01189
(Methyltr_RsmB-F)
5 LEU A 352
ALA A 323
LEU A 349
SER A 326
THR A 374
None
1.42A 4i89A-1sqgA:
undetectable
4i89A-1sqgA:
14.65
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.
1sy6 OKT3 FAB HEAVY CHAIN

(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU H   4
ALA H  79
SER H  77
THR H  72
None
0.96A 4i89A-1sy6H:
3.8
4i89A-1sy6H:
21.13
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)
5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
None
0.68A 4i89A-1tfpA:
19.8
4i89A-1tfpA:
73.85
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)
4 LYS A  15
LEU A  17
LEU A 110
SER A 117
None
0.89A 4i89A-1tfpA:
19.8
4i89A-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.
1uun MSPA

(Mycolicibacterium
smegmatis)
PF09203
(MspA)
4 LEU A  62
ALA A 164
LEU A 166
THR A 176
None
0.59A 4i89A-1uunA:
3.1
4i89A-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.
1xg2 PECTINESTERASE 1

(Solanum
lycopersicum)
PF01095
(Pectinesterase)
4 LYS A 107
ALA A 103
LEU A  71
THR A 102
None
1.04A 4i89A-1xg2A:
undetectable
4i89A-1xg2A:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xls ORPHAN NUCLEAR
RECEPTOR NR1I3


(Mus musculus)
PF00104
(Hormone_recep)
4 LEU E 191
ALA E 274
LEU E 294
THR E 275
None
1.02A 4i89A-1xlsE:
undetectable
4i89A-1xlsE:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xx0 PLECKSTRIN

(Homo sapiens)
PF00169
(PH)
4 LEU A 275
ALA A 341
LEU A 292
SER A 346
None
1.06A 4i89A-1xx0A:
undetectable
4i89A-1xx0A:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ykd ADENYLATE CYCLASE

(Anabaena sp.)
PF01590
(GAF)
4 LYS A 200
ALA A 101
LEU A 180
THR A 104
None
0.91A 4i89A-1ykdA:
undetectable
4i89A-1ykdA:
16.75
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.
1yr2 PROLYL
OLIGOPEPTIDASE


(Novosphingobium
capsulatum)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
4 LEU A 684
ALA A 649
LEU A 651
SER A 596
None
0.63A 4i89A-1yr2A:
undetectable
4i89A-1yr2A:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli)
PF01144
(CoA_trans)
4 LEU A  41
ALA A  36
LEU A  34
THR A  69
None
1.05A 4i89A-2ahwA:
undetectable
4i89A-2ahwA:
11.71
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.
2cs3 PROTEIN C14ORF4

(Homo sapiens)
PF00097
(zf-C3HC4)
4 LYS A  51
LEU A  87
ALA A  55
THR A  56
None
1.06A 4i89A-2cs3A:
undetectable
4i89A-2cs3A:
25.81
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.
2d2z CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 4


(Homo sapiens)
PF13410
(GST_C_2)
4 LEU A 191
ALA A 187
LEU A 192
THR A 185
None
1.06A 4i89A-2d2zA:
undetectable
4i89A-2d2zA:
20.40
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR


(Escherichia
coli)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF)
4 LEU A 939
ALA A 910
LEU A 784
SER A 906
EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
1.00A 4i89A-2eyqA:
undetectable
4i89A-2eyqA:
8.25
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.
2jft SER-THR PHOSPHATASE
MSPP


(Mycolicibacterium
smegmatis)
PF13672
(PP2C_2)
4 LEU A  79
LEU A  80
SER A  87
THR A  89
None
1.05A 4i89A-2jftA:
undetectable
4i89A-2jftA:
21.37
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.
2kc3 APOLIPOPROTEIN E

(Homo sapiens)
PF01442
(Apolipoprotein)
4 LEU A  78
ALA A 164
SER A  22
THR A  18
None
0.97A 4i89A-2kc3A:
undetectable
4i89A-2kc3A:
16.85
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.
2nlz CEPHALOSPORIN
ACYLASE


(Bacillus
halodurans)
PF01019
(G_glu_transpept)
5 LEU A 208
ALA A  57
LEU A 142
SER A 141
THR A  54
None
1.24A 4i89A-2nlzA:
undetectable
4i89A-2nlzA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE


(Caenorhabditis
elegans)
PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N)
4 LEU A 291
ALA A 304
LEU A 294
SER A 297
None
1.00A 4i89A-2o3jA:
undetectable
4i89A-2o3jA:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pv7 T-PROTEIN [INCLUDES:
CHORISMATE MUTASE
(EC 5.4.99.5) (CM)
AND PREPHENATE
DEHYDROGENASE (EC
1.3.1.12) (PDH)]


(Haemophilus
influenzae)
PF02153
(PDH)
4 LEU A 199
ALA A 175
LEU A 177
SER A 151
None
None
None
NAD  A 400 (-3.8A)
0.98A 4i89A-2pv7A:
undetectable
4i89A-2pv7A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pvz PRPF METHYLACONITATE
ISOMERASE


(Shewanella
oneidensis)
PF04303
(PrpF)
4 LYS A  59
ALA A  67
SER A  69
THR A  71
CA  A1002 (-3.3A)
None
CA  A1003 (-3.3A)
None
1.04A 4i89A-2pvzA:
undetectable
4i89A-2pvzA:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r5g CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 2


(Homo sapiens)
PF13409
(GST_N_2)
PF13410
(GST_C_2)
4 LEU A 186
ALA A 182
LEU A 187
THR A 180
None
1.04A 4i89A-2r5gA:
undetectable
4i89A-2r5gA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.53A 4i89A-2v9uA:
3.3
4i89A-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.
2w6d DYNAMIN FAMILY
PROTEIN


(Nostoc
punctiforme)
PF00350
(Dynamin_N)
4 LEU A  49
ALA A  38
LEU A  51
THR A  34
None
0.73A 4i89A-2w6dA:
undetectable
4i89A-2w6dA:
13.25
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X


(Streptococcus
pneumoniae)
PF00905
(Transpeptidase)
4 LEU B 585
ALA B 291
LEU B 293
THR B 305
None
0.79A 4i89A-2z2mB:
undetectable
4i89A-2z2mB:
17.07
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.
2z6g B-CATENIN

(Danio rerio)
PF00514
(Arm)
4 LEU A 404
ALA A 420
LEU A 407
THR A 417
None
1.05A 4i89A-2z6gA:
undetectable
4i89A-2z6gA:
8.48
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN


(Thermus
thermophilus)
PF02355
(SecD_SecF)
PF07549
(Sec_GG)
4 LEU A  92
ALA A 261
LEU A  95
SER A  96
None
0.98A 4i89A-3aqpA:
undetectable
4i89A-3aqpA:
9.99
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.
3b8k DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE


(Homo sapiens)
PF00198
(2-oxoacid_dh)
4 LEU A 482
ALA A 503
SER A 527
THR A 529
None
0.84A 4i89A-3b8kA:
undetectable
4i89A-3b8kA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bdw NKG2-A/NKG2-B TYPE
II INTEGRAL MEMBRANE
PROTEIN


(Homo sapiens)
PF00059
(Lectin_C)
4 LEU B 216
ALA B 209
LEU B 211
SER B 173
None
0.96A 4i89A-3bdwB:
undetectable
4i89A-3bdwB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bjl LOC - LAMBDA 1 TYPE
LIGHT-CHAIN DIMER


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 LYS A  46
ALA A  44
LEU A  40
SER A  41
None
0.89A 4i89A-3bjlA:
3.6
4i89A-3bjlA:
21.56
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.
3bws PROTEIN LP49

(Leptospira
interrogans)
PF10282
(Lactonase)
4 LYS A  76
LEU A  78
LEU A  86
SER A  57
None
1.04A 4i89A-3bwsA:
undetectable
4i89A-3bwsA:
16.97
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.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803)
PF01596
(Methyltransf_3)
4 LEU A  82
ALA A  61
SER A  57
THR A  59
None
1.05A 4i89A-3cbgA:
undetectable
4i89A-3cbgA:
19.40
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.
3d3d LYSOZYME

(Escherichia
virus Lambda)
PF00959
(Phage_lysozyme)
4 LEU A  12
LEU A  15
SER A  18
THR A  21
None
0.96A 4i89A-3d3dA:
undetectable
4i89A-3d3dA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eya PYRUVATE
DEHYDROGENASE
[CYTOCHROME]


(Escherichia
coli)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
4 LEU A  32
ALA A 164
LEU A  29
SER A  28
None
None
None
PO4  A 614 (-2.7A)
0.88A 4i89A-3eyaA:
undetectable
4i89A-3eyaA:
13.39
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)
6 LYS A  15
LEU A  17
ALA A 108
LEU A 110
SER A 117
THR A 119
IFA  A3000 (-3.0A)
IFA  A3000 ( 4.7A)
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
IFA  A3000 (-3.9A)
IFA  A3000 ( 4.9A)
0.64A 4i89A-3fc8A:
24.2
4i89A-3fc8A:
99.19
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.
3fcm HYDROLASE, NUDIX
FAMILY


(Clostridium
perfringens)
PF00293
(NUDIX)
4 LEU A 130
LEU A  44
SER A  76
THR A  36
None
1.00A 4i89A-3fcmA:
undetectable
4i89A-3fcmA:
21.03
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.
3ftj MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB


(Aggregatibacter
actinomycetemcomitans)
PF12704
(MacB_PCD)
4 LEU A 461
ALA A 377
LEU A 379
SER A 363
None
0.94A 4i89A-3ftjA:
undetectable
4i89A-3ftjA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fy7 CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 3


(Homo sapiens)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
4 LEU A 176
ALA A 172
LEU A 177
THR A 170
None
1.03A 4i89A-3fy7A:
undetectable
4i89A-3fy7A:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g9h SUPPRESSOR OF YEAST
PROFILIN DELETION


(Saccharomyces
cerevisiae)
PF10291
(muHD)
4 ALA A 756
LEU A 804
SER A 720
THR A 801
None
1.04A 4i89A-3g9hA:
2.2
4i89A-3g9hA:
18.01
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.
3h87 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Mycobacterium
tuberculosis)
PF01402
(RHH_1)
4 LEU C  24
ALA C  22
LEU C  26
SER C  27
GOL  C  74 (-4.3A)
None
None
None
1.02A 4i89A-3h87C:
undetectable
4i89A-3h87C:
23.64
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.
3iwk AMINOALDEHYDE
DEHYDROGENASE


(Pisum sativum)
PF00171
(Aldedh)
4 LEU A 184
LEU A 157
SER A 235
THR A 237
None
0.80A 4i89A-3iwkA:
undetectable
4i89A-3iwkA:
12.52
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
0.90A 4i89A-3iwuA:
19.7
4i89A-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.
3mcf DIPHOSPHOINOSITOL
POLYPHOSPHATE
PHOSPHOHYDROLASE
3-ALPHA


(Homo sapiens)
PF00293
(NUDIX)
4 LEU A  23
ALA A  21
LEU A  80
THR A  93
None
1.00A 4i89A-3mcfA:
undetectable
4i89A-3mcfA:
23.19
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.
3oee ATP SYNTHASE SUBUNIT
ALPHA


(Saccharomyces
cerevisiae)
PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N)
4 LEU A 481
ALA A 497
LEU A 495
SER A 492
None
1.05A 4i89A-3oeeA:
undetectable
4i89A-3oeeA:
15.44
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.
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
1.02A 4i89A-3peiA:
undetectable
4i89A-3peiA:
13.14
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.
3pqj BIOFILM
GROWTH-ASSOCIATED
REPRESSOR


(Xylella
fastidiosa)
PF12840
(HTH_20)
4 LEU A  72
LEU A  69
SER A  66
THR A  64
None
1.01A 4i89A-3pqjA:
undetectable
4i89A-3pqjA:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.62A 4i89A-3prxB:
3.5
4i89A-3prxB:
6.07
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.
3ri5 MOUSE MONOCLONAL FAB
FRAGMENT, LIGHT
CHAIN


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU K 135
ALA K 133
LEU K 181
THR K 184
None
1.07A 4i89A-3ri5K:
undetectable
4i89A-3ri5K:
23.56
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.
3ru8 EPITOPE SCAFFOLD
2BODX43


(Human
immunodeficiency
virus;
Thermobifida
fusca;
synthetic
construct)
PF01341
(Glyco_hydro_6)
4 LYS X 190
ALA X 189
SER X 148
THR X 174
None
1.05A 4i89A-3ru8X:
undetectable
4i89A-3ru8X:
19.31
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.
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
0.92A 4i89A-3s3tA:
undetectable
4i89A-3s3tA:
20.53
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.
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)
0.94A 4i89A-3sagA:
undetectable
4i89A-3sagA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY


(Sphaerobacter
thermophilus)
PF01380
(SIS)
4 LEU A 215
ALA A 233
LEU A 231
THR A 115
None
1.03A 4i89A-3shoA:
undetectable
4i89A-3shoA:
21.79
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.
3swl CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 1


(Homo sapiens)
PF13409
(GST_N_2)
PF13410
(GST_C_2)
4 LEU A 180
ALA A 176
LEU A 181
THR A 174
None
1.06A 4i89A-3swlA:
undetectable
4i89A-3swlA:
20.85
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.
3t38 ARSENATE REDUCTASE

(Corynebacterium
glutamicum)
PF01451
(LMWPc)
4 LEU A  58
ALA A  49
SER A  44
THR A  48
None
0.92A 4i89A-3t38A:
undetectable
4i89A-3t38A:
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.
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
0.96A 4i89A-3t6sA:
undetectable
4i89A-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.
3uk2 PANTOTHENATE
SYNTHETASE


(Burkholderia
thailandensis)
PF02569
(Pantoate_ligase)
4 LEU A 268
ALA A 266
LEU A 273
THR A 264
None
0.89A 4i89A-3uk2A:
undetectable
4i89A-3uk2A:
18.79
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1


(Homo sapiens)
PF00079
(Serpin)
4 LYS A 323
ALA A 168
SER A  92
THR A  94
None
0.64A 4i89A-3ut3A:
undetectable
4i89A-3ut3A:
17.63
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE


(Phanerochaete
chrysosporium)
no annotation 4 ALA A 893
LEU A 891
SER A 867
THR A 852
None
0.93A 4i89A-4a7kA:
undetectable
4i89A-4a7kA:
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE


(Thermotoga
maritima)
PF13597
(NRDD)
4 LYS A 295
LEU A 297
LEU A 290
SER A 320
None
0.87A 4i89A-4conA:
undetectable
4i89A-4conA:
12.18
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.
4ctd OUTER MEMBRANE
PROTEIN G


(Escherichia
coli)
PF09381
(Porin_OmpG)
4 LEU A 167
ALA A 195
LEU A 197
THR A 210
None
None
None
CL  A1274 (-4.2A)
0.65A 4i89A-4ctdA:
undetectable
4i89A-4ctdA:
17.94
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.
4cxf RNA POLYMERASE SIGMA
FACTOR CNRH


(Cupriavidus
metallidurans)
PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2)
4 LEU A 163
ALA A 161
LEU A 165
SER A 166
None
None
SO4  A1192 (-4.5A)
None
1.06A 4i89A-4cxfA:
undetectable
4i89A-4cxfA:
20.10
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.
4dyj BROAD SPECIFICITY
AMINO ACID RACEMASE


(Pseudomonas
putida)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
4 LEU A 257
ALA A 243
LEU A 241
THR A 204
None
0.98A 4i89A-4dyjA:
undetectable
4i89A-4dyjA:
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.
4g3w TRANSCRIPTIONAL
REGULATOR NLH1


(Aquifex
aeolicus)
PF01590
(GAF)
4 LEU A 148
ALA A 116
LEU A 129
THR A  77
None
1.07A 4i89A-4g3wA:
undetectable
4i89A-4g3wA:
22.99
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.
4gw9 BACTERIOPHYTOCHROME

(Rhodopseudomonas
palustris)
PF00360
(PHY)
PF00989
(PAS)
PF01590
(GAF)
PF08446
(PAS_2)
4 ALA A 411
LEU A 405
SER A 402
THR A 414
None
1.04A 4i89A-4gw9A:
undetectable
4i89A-4gw9A:
12.85
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.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE


(Solanum
lycopersicum)
PF00171
(Aldedh)
4 LEU A 184
LEU A 157
SER A 235
THR A 237
None
None
None
NAD  A 601 (-4.2A)
0.82A 4i89A-4i8qA:
undetectable
4i89A-4i8qA:
12.75
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.
4jy4 PGT121 LIGHT CHAIN

(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU A 133
ALA A 131
LEU A 179
THR A 182
None
1.04A 4i89A-4jy4A:
3.0
4i89A-4jy4A:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l1y SALIVARY NITROPHORIN

(Cimex
lectularius)
no annotation 4 LEU A  86
ALA A  41
SER A  13
THR A  11
None
0.75A 4i89A-4l1yA:
undetectable
4i89A-4l1yA:
20.36
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.
4lsu LIGHT CHAIN OF
ANTIBODY VRC-PG20


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU L 132
ALA L 130
LEU L 178
THR L 181
None
1.04A 4i89A-4lsuL:
3.1
4i89A-4lsuL:
22.55
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.
4m7e PROTEIN
BRASSINOSTEROID
INSENSITIVE 1


(Arabidopsis
thaliana)
PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8)
4 LEU A 447
LEU A 452
SER A 453
THR A 455
None
1.02A 4i89A-4m7eA:
undetectable
4i89A-4m7eA:
13.16
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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A


(Streptococcus
pneumoniae)
PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix)
4 LYS A 426
LEU A 424
ALA A 470
THR A 503
None
CA  A 702 ( 4.5A)
None
None
0.78A 4i89A-4mr0A:
undetectable
4i89A-4mr0A:
12.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ptz FMN REDUCTASE SSUE

(Escherichia
coli)
no annotation 4 LEU C 104
ALA C  22
LEU C  18
SER C  17
None
1.03A 4i89A-4ptzC:
undetectable
4i89A-4ptzC:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q9z HUMAN PROTEIN KINASE
C THETA


(Homo sapiens)
PF00069
(Pkinase)
PF00433
(Pkinase_C)
4 LYS A 409
LEU A 411
LEU A 454
THR A 447
None
None
None
SEP  A 695 ( 4.8A)
0.98A 4i89A-4q9zA:
undetectable
4i89A-4q9zA:
14.89
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.
4qyb UNCHARACTERIZED
PROTEIN


(Burkholderia
cenocepacia)
PF10765
(DUF2591)
4 LEU A  98
ALA A 102
SER A  94
THR A 105
None
0.94A 4i89A-4qybA:
undetectable
4i89A-4qybA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tr6 DNA POLYMERASE III
SUBUNIT BETA


(Bacillus
subtilis)
PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3)
4 LEU A 373
LEU A 361
SER A 352
THR A 354
None
0.65A 4i89A-4tr6A:
undetectable
4i89A-4tr6A:
15.61
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.
4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN


(Mycolicibacterium
fortuitum)
PF00722
(Glyco_hydro_16)
4 LEU A 109
ALA A 101
LEU A 103
SER A  63
LEU  A 109 ( 0.6A)
ALA  A 101 ( 0.0A)
LEU  A 103 ( 0.6A)
SER  A  63 ( 0.0A)
1.00A 4i89A-4w65A:
undetectable
4i89A-4w65A:
19.85
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.
4wo4 ANTIGEN-PRESENTING
GLYCOPROTEIN CD1D


(Homo sapiens)
PF07654
(C1-set)
PF16497
(MHC_I_3)
4 LEU A  13
LEU A  29
SER A  39
THR A  37
None
1.05A 4i89A-4wo4A:
undetectable
4i89A-4wo4A:
17.52
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3


(Drosophila
melanogaster)
PF07034
(ORC3_N)
4 LEU C 413
ALA C 466
LEU C 410
THR C 470
None
1.05A 4i89A-4xgcC:
undetectable
4i89A-4xgcC:
12.56
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.
4yxx DTOR_6X35L

(synthetic
construct)
no annotation 4 LEU A   7
ALA A 188
LEU A  10
THR A 193
None
0.97A 4i89A-4yxxA:
undetectable
4i89A-4yxxA:
24.52
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.
4yxx DTOR_6X35L

(synthetic
construct)
no annotation 4 LEU A  77
ALA A  48
LEU A  80
THR A  53
None
1.01A 4i89A-4yxxA:
undetectable
4i89A-4yxxA:
24.52
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.
5a7d INSCUTEABLE

(Drosophila
melanogaster)
no annotation 4 LEU L 446
ALA L 379
LEU L 374
SER L 370
None
0.93A 4i89A-5a7dL:
undetectable
4i89A-5a7dL:
16.13
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT GAMMA


(Schizosaccharomyces
pombe)
PF00483
(NTP_transferase)
4 LEU E  64
ALA E  96
LEU E  60
SER E  57
None
1.02A 4i89A-5b04E:
undetectable
4i89A-5b04E:
14.18