SIMILAR PATTERNS OF AMINO ACIDS FOR 4IKL_B_SUZB201_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.
1a5f MONOCLONAL
ANTI-E-SELECTIN 7A9
ANTIBODY (HEAVY
CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H   7
SER H  21
LYS H  38
THR H 114
 None
 1.00A 4iklA-1a5fH:
undetectable
4iklB-1a5fH:
undetectable		 4iklA-1a5fH:
21.33
4iklB-1a5fH:
21.33
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.
1bgp BARLEY GRAIN
PEROXIDASE

(Hordeum vulgare) 		PF00141
(peroxidase) 		4 SER A 121
ALA A  41
LEU A  43
SER A 117
 None
HEM  A 400 (-3.5A)
None
None
 0.99A 4iklA-1bgpA:
undetectable
4iklB-1bgpA:
undetectable		 4iklA-1bgpA:
16.88
4iklB-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.
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)
 0.90A 4iklA-1f80A:
undetectable
4iklB-1f80A:
undetectable		 4iklA-1f80A:
24.24
4iklB-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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 181
SER A 183
ALA A 218
SER A 191
 None
 0.54A 4iklA-1fcpA:
0.0
4iklB-1fcpA:
undetectable		 4iklA-1fcpA:
10.68
4iklB-1fcpA:
10.68
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) 		4 LEU A  17
ALA A 108
LEU A 110
THR A 119
 None
 0.40A 4iklA-1gkeA:
22.0
4iklB-1gkeA:
21.1		 4iklA-1gkeA:
83.33
4iklB-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.
1h71 SERRALYSIN

(Pseudomonas sp.
'TAC II 18') 		PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 SER P   6
LEU P 401
ALA P 403
SER P   5
 None
 0.88A 4iklA-1h71P:
undetectable
4iklB-1h71P:
undetectable		 4iklA-1h71P:
16.93
4iklB-1h71P:
16.93
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.
1idm 3-ISOPROPYLMALATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		4 SER A 259
SER A 257
LEU A   6
LEU A  69
 None
 0.92A 4iklA-1idmA:
undetectable
4iklB-1idmA:
undetectable		 4iklA-1idmA:
18.08
4iklB-1idmA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jl0 S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME

(Homo sapiens) 		PF01536
(SAM_decarbox) 		4 SER A 312
LEU A 177
LEU A 284
THR A 323
 None
 0.66A 4iklA-1jl0A:
undetectable
4iklB-1jl0A:
undetectable		 4iklA-1jl0A:
19.41
4iklB-1jl0A:
19.41
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.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		4 LYS A 361
LEU A 357
ALA A 360
THR A 352
 None
 0.79A 4iklA-1jmyA:
undetectable
4iklB-1jmyA:
undetectable		 4iklA-1jmyA:
12.64
4iklB-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.
1jxn ANTI-H(O) LECTIN I

(Ulex europaeus) 		PF00139
(Lectin_legB) 		4 SER A 193
SER A 195
SER A 184
THR A 186
 None
 0.73A 4iklA-1jxnA:
undetectable
4iklB-1jxnA:
undetectable		 4iklA-1jxnA:
19.82
4iklB-1jxnA:
19.82
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.
1lrv LEUCINE-RICH REPEAT
VARIANT

(Azotobacter
vinelandii) 		PF01816
(LRV)
PF05484
(LRV_FeS) 		4 SER A  86
LEU A  79
ALA A  93
LEU A  82
 None
 0.65A 4iklA-1lrvA:
undetectable
4iklB-1lrvA:
undetectable		 4iklA-1lrvA:
18.70
4iklB-1lrvA:
18.70
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.
1mk7 TALIN

(Gallus gallus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 SER B 379
ALA B 360
SER B 365
THR B 367
 None
 0.44A 4iklA-1mk7B:
undetectable
4iklB-1mk7B:
undetectable		 4iklA-1mk7B:
22.49
4iklB-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.
1qgj PEROXIDASE N

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		4 SER A 109
ALA A  34
LEU A  36
SER A 105
 None
HEM  A1350 (-3.7A)
None
None
 0.96A 4iklA-1qgjA:
undetectable
4iklB-1qgjA:
undetectable		 4iklA-1qgjA:
20.38
4iklB-1qgjA:
20.38
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 LEU A  17
ALA A 108
LEU A 110
THR A 119
 None
 0.20A 4iklA-1sn2A:
20.9
4iklB-1sn2A:
21.3		 4iklA-1sn2A:
54.62
4iklB-1sn2A:
54.62
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
THR A 119
 None
 0.57A 4iklA-1sn2A:
20.9
4iklB-1sn2A:
21.3		 4iklA-1sn2A:
54.62
4iklB-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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		4 SER A 171
LEU A 181
ALA A 178
LEU A 176
 None
 0.73A 4iklA-1su7A:
undetectable
4iklB-1su7A:
undetectable		 4iklA-1su7A:
11.95
4iklB-1su7A:
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.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Escherichia
coli) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 SER A 143
LEU A 152
ALA A 149
LEU A 147
 None
 0.88A 4iklA-1t4bA:
undetectable
4iklB-1t4bA:
undetectable		 4iklA-1t4bA:
19.18
4iklB-1t4bA:
19.18
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 LEU A  17
ALA A 108
LEU A 110
SER A 117
THR A 119
 None
 0.44A 4iklA-1tfpA:
19.9
4iklB-1tfpA:
19.2		 4iklA-1tfpA:
73.85
4iklB-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) 		5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
 None
 0.42A 4iklA-1tfpA:
19.9
4iklB-1tfpA:
19.2		 4iklA-1tfpA:
73.85
4iklB-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
 0.76A 4iklA-1uunA:
3.1
4iklB-1uunA:
3.1		 4iklA-1uunA:
22.83
4iklB-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.
1ykd ADENYLATE CYCLASE

(Anabaena sp.) 		PF01590
(GAF) 		4 LYS A 200
ALA A 101
LEU A 180
THR A 104
 None
 0.98A 4iklA-1ykdA:
undetectable
4iklB-1ykdA:
undetectable		 4iklA-1ykdA:
15.98
4iklB-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.
1z7z HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		4 SER 1 251
LYS 1  97
SER 1  86
THR 1  88
 None
 0.97A 4iklA-1z7z1:
undetectable
4iklB-1z7z1:
undetectable		 4iklA-1z7z1:
17.99
4iklB-1z7z1:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2akp ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 SER A 138
SER A 140
LEU A  42
THR A 171
 None
 0.96A 4iklA-2akpA:
undetectable
4iklB-2akpA:
undetectable		 4iklA-2akpA:
20.94
4iklB-2akpA:
20.94
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.
2b7y FAVIN ALPHA CHAIN
FAVIN BETA CHAIN

(Vicia faba) 		PF00139
(Lectin_legB) 		4 SER B 189
ALA A 164
SER A 175
THR A 177
 None
 0.47A 4iklA-2b7yB:
undetectable
4iklB-2b7yB:
undetectable		 4iklA-2b7yB:
16.41
4iklB-2b7yB:
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.
2d9c SIGNAL-REGULATORY
PROTEIN BETA-1

(Homo sapiens) 		PF07686
(V-set) 		4 SER A  82
SER A  84
SER A  25
THR A  27
 None
 0.89A 4iklA-2d9cA:
undetectable
4iklB-2d9cA:
2.9		 4iklA-2d9cA:
21.92
4iklB-2d9cA:
21.92
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.
2frx HYPOTHETICAL PROTEIN
YEBU

(Escherichia
coli) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N) 		4 SER A 407
ALA A 344
LEU A 405
THR A 345
 None
 0.90A 4iklA-2frxA:
undetectable
4iklB-2frxA:
undetectable		 4iklA-2frxA:
17.16
4iklB-2frxA:
17.16
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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		4 SER A 103
ALA A  36
SER A 102
THR A  33
 None
 1.00A 4iklA-2hp3A:
undetectable
4iklB-2hp3A:
undetectable		 4iklA-2hp3A:
15.76
4iklB-2hp3A:
15.76
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.
2mak STROMAL INTERACTION
MOLECULE 1

(Homo sapiens) 		PF16533
(SOAR) 		4 SER A 340
LEU A 351
LEU A 347
SER A 339
 None
 0.92A 4iklA-2makA:
undetectable
4iklB-2makA:
undetectable		 4iklA-2makA:
19.69
4iklB-2makA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 SER A 262
ALA A 150
SER A 216
THR A 218
 None
 0.56A 4iklA-2qp2A:
undetectable
4iklB-2qp2A:
undetectable		 4iklA-2qp2A:
13.13
4iklB-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.
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)
 0.67A 4iklA-2v9uA:
3.2
4iklB-2v9uA:
3.3		 4iklA-2v9uA:
23.88
4iklB-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
 0.81A 4iklA-2w6dA:
undetectable
4iklB-2w6dA:
undetectable		 4iklA-2w6dA:
12.22
4iklB-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.
2y24 XYLANASE

(Dickeya
chrysanthemi) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 SER A 377
SER A 379
ALA A 351
SER A 406
 None
 0.80A 4iklA-2y24A:
undetectable
4iklB-2y24A:
undetectable		 4iklA-2y24A:
15.79
4iklB-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.
2y24 XYLANASE

(Dickeya
chrysanthemi) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 SER A 377
SER A 379
ALA A 351
THR A 408
 None
 0.72A 4iklA-2y24A:
undetectable
4iklB-2y24A:
undetectable		 4iklA-2y24A:
15.79
4iklB-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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		4 SER A  78
ALA A  32
LEU A  83
THR A  29
 None
 0.82A 4iklA-2z0jA:
undetectable
4iklB-2z0jA:
undetectable		 4iklA-2z0jA:
19.40
4iklB-2z0jA:
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.
3c02 AQUAGLYCEROPORIN

(Plasmodium
falciparum) 		PF00230
(MIP) 		4 SER A 171
ALA A  62
LEU A  59
SER A 170
 None
 0.87A 4iklA-3c02A:
undetectable
4iklB-3c02A:
undetectable		 4iklA-3c02A:
20.87
4iklB-3c02A:
20.87
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.
3cmb ACETOACETATE
DECARBOXYLASE

(Methanoculleus
marisnigri) 		PF06314
(ADC) 		4 SER A 159
LEU A  34
ALA A 246
LEU A 248
 None
 0.77A 4iklA-3cmbA:
undetectable
4iklB-3cmbA:
undetectable		 4iklA-3cmbA:
19.15
4iklB-3cmbA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 SER A 395
LEU A 401
SER A 394
THR A 399
 None
 0.88A 4iklA-3cttA:
undetectable
4iklB-3cttA:
undetectable		 4iklA-3cttA:
10.35
4iklB-3cttA:
10.35
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 LEU A 338
ALA A 340
SER A 334
THR A 327
 None
 0.98A 4iklA-3e0lA:
undetectable
4iklB-3e0lA:
undetectable		 4iklA-3e0lA:
15.84
4iklB-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 SER A 212
ALA A 223
LEU A 220
SER A 218
 None
 0.92A 4iklA-3ea0A:
undetectable
4iklB-3ea0A:
undetectable		 4iklA-3ea0A:
21.07
4iklB-3ea0A:
21.07
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.
3ewn THIJ/PFPI FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF01965
(DJ-1_PfpI) 		4 SER A 155
LEU A 165
ALA A 162
LEU A 160
 GOL  A3968 (-3.6A)
None
None
None
 0.98A 4iklA-3ewnA:
undetectable
4iklB-3ewnA:
undetectable		 4iklA-3ewnA:
22.49
4iklB-3ewnA:
22.49
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)
 0.89A 4iklA-3fc8A:
24.1
4iklB-3fc8A:
23.1		 4iklA-3fc8A:
100.00
4iklB-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.
3fhc NUCLEAR PORE COMPLEX
PROTEIN NUP214

(Homo sapiens) 		PF12894
(ANAPC4_WD40) 		4 SER A 191
ALA A 175
SER A 173
THR A 188
 None
 0.78A 4iklA-3fhcA:
undetectable
4iklB-3fhcA:
undetectable		 4iklA-3fhcA:
15.82
4iklB-3fhcA:
15.82
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.
3g9w TALIN-2

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 SER A 382
ALA A 363
SER A 368
THR A 370
 None
 0.64A 4iklA-3g9wA:
undetectable
4iklB-3g9wA:
undetectable		 4iklA-3g9wA:
20.48
4iklB-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.
3gem SHORT CHAIN
DEHYDROGENASE

(Pseudomonas
savastanoi) 		PF13561
(adh_short_C2) 		4 SER A  59
LEU A 109
SER A 105
THR A 101
 None
 0.98A 4iklA-3gemA:
undetectable
4iklB-3gemA:
undetectable		 4iklA-3gemA:
19.31
4iklB-3gemA:
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.
3hbu SECRETED PROTEASE C

(Dickeya
chrysanthemi) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 SER P  22
LEU P 416
ALA P 418
SER P  21
 None
 0.82A 4iklA-3hbuP:
undetectable
4iklB-3hbuP:
undetectable		 4iklA-3hbuP:
15.27
4iklB-3hbuP:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i1a SPECTINOMYCIN
PHOSPHOTRANSFERASE

(Legionella
pneumophila) 		PF01636
(APH) 		4 SER A 176
LYS A 311
LEU A 307
LEU A 170
 None
 0.93A 4iklA-3i1aA:
undetectable
4iklB-3i1aA:
undetectable		 4iklA-3i1aA:
16.50
4iklB-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
 0.86A 4iklA-3i44A:
undetectable
4iklB-3i44A:
undetectable		 4iklA-3i44A:
13.77
4iklB-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 SER A   0
LEU A  74
LEU A  83
SER A 103
 None
 0.94A 4iklA-3ijtA:
undetectable
4iklB-3ijtA:
undetectable		 4iklA-3ijtA:
21.95
4iklB-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 SER A 379
ALA A 360
SER A 365
THR A 367
 None
 0.68A 4iklA-3ivfA:
undetectable
4iklB-3ivfA:
undetectable		 4iklA-3ivfA:
15.01
4iklB-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
 0.95A 4iklA-3iwkA:
undetectable
4iklB-3iwkA:
undetectable		 4iklA-3iwkA:
13.12
4iklB-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
 0.60A 4iklA-3iwuA:
19.7
4iklB-3iwuA:
19.9		 4iklA-3iwuA:
32.86
4iklB-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.
3j7y MS30

(Homo sapiens) 		PF00829
(Ribosomal_L21p) 		4 SER s 169
LEU s 180
LEU s 177
SER s 173
 None
 0.96A 4iklA-3j7ys:
undetectable
4iklB-3j7ys:
undetectable		 4iklA-3j7ys:
15.48
4iklB-3j7ys:
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.
3kl0 GLUCURONOXYLANASE
XYNC

(Bacillus
subtilis) 		PF17189
(Glyco_hydro_30C) 		4 SER A 357
ALA A 329
SER A 383
THR A 385
 None
 0.64A 4iklA-3kl0A:
undetectable
4iklB-3kl0A:
undetectable		 4iklA-3kl0A:
15.19
4iklB-3kl0A:
15.19
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 SER A 392
SER A 390
ALA A 361
SER A 397
 None
 0.84A 4iklA-3l76A:
undetectable
4iklB-3l76A:
undetectable		 4iklA-3l76A:
12.84
4iklB-3l76A:
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.
3n08 PUTATIVE
PHOSPHATIDYLETHANOLA
MINE-BINDING PROTEIN
(PEBP)

(Chlamydia
trachomatis) 		PF01161
(PBP) 		4 SER A  32
SER A  30
ALA A 141
LEU A 143
 None
CL  A 155 (-3.0A)
None
None
 0.98A 4iklA-3n08A:
2.9
4iklB-3n08A:
2.9		 4iklA-3n08A:
21.15
4iklB-3n08A:
21.15
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		4 SER A  40
ALA A 118
LEU A 120
SER A 137
 None
 0.57A 4iklA-3p7nA:
undetectable
4iklB-3p7nA:
undetectable		 4iklA-3p7nA:
18.04
4iklB-3p7nA:
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		4 SER A 925
LYS A1139
LEU A1141
LEU A 952
 None
 0.78A 4iklA-3pieA:
undetectable
4iklB-3pieA:
undetectable		 4iklA-3pieA:
9.35
4iklB-3pieA:
9.35
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.
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
 0.86A 4iklA-3prxB:
3.5
4iklB-3prxB:
3.6		 4iklA-3prxB:
6.13
4iklB-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.
3qka ENOYL-COA HYDRATASE,
ECHA5

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		4 SER A  47
LEU A  92
ALA A  51
THR A  14
 None
 0.80A 4iklA-3qkaA:
undetectable
4iklB-3qkaA:
undetectable		 4iklA-3qkaA:
20.65
4iklB-3qkaA:
20.65
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.
3rkd CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		4 SER A 594
SER A 596
SER A 474
THR A 476
 None
 0.97A 4iklA-3rkdA:
undetectable
4iklB-3rkdA:
undetectable		 4iklA-3rkdA:
23.42
4iklB-3rkdA:
23.42
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		4 SER A 338
ALA A 320
LEU A 336
THR A 323
 None
 0.97A 4iklA-3tlmA:
undetectable
4iklB-3tlmA:
undetectable		 4iklA-3tlmA:
9.43
4iklB-3tlmA:
9.43
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 SER A 360
LYS A 184
LEU A 196
THR A 215
 None
 0.76A 4iklA-3ty1A:
undetectable
4iklB-3ty1A:
undetectable		 4iklA-3ty1A:
17.45
4iklB-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
 0.80A 4iklA-3ty7A:
undetectable
4iklB-3ty7A:
undetectable		 4iklA-3ty7A:
14.22
4iklB-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.
3u1k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL

(Homo sapiens) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 SER A 211
LEU A 216
ALA A 233
SER A 212
 None
 0.87A 4iklA-3u1kA:
undetectable
4iklB-3u1kA:
undetectable		 4iklA-3u1kA:
12.22
4iklB-3u1kA:
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.
3zl4 A17 ANTIBODY FAB
FRAGMENT LAMBDA
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER L  21
SER L  23
SER L  71
THR L  73
 None
 0.69A 4iklA-3zl4L:
undetectable
4iklB-3zl4L:
undetectable		 4iklA-3zl4L:
24.77
4iklB-3zl4L:
24.77
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.
4bl3 PENICILLIN BINDING
PROTEIN 2 PRIME

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		4 SER A 362
ALA A 630
SER A 346
THR A 348
 None
 0.49A 4iklA-4bl3A:
undetectable
4iklB-4bl3A:
undetectable		 4iklA-4bl3A:
11.25
4iklB-4bl3A:
11.25
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.
4cuo BANYAN PEROXIDASE

(Ficus
benghalensis) 		PF00141
(peroxidase) 		4 SER A 112
ALA A  34
LEU A  36
SER A 108
 None
HEM  A1307 (-3.7A)
None
None
 0.95A 4iklA-4cuoA:
undetectable
4iklB-4cuoA:
undetectable		 4iklA-4cuoA:
16.83
4iklB-4cuoA:
16.83
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.
4djh KAPPA-TYPE OPIOID
RECEPTOR, LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 SER A 324
LEU A 333
ALA A 331
LEU A 329
 None
 0.93A 4iklA-4djhA:
undetectable
4iklB-4djhA:
undetectable		 4iklA-4djhA:
14.58
4iklB-4djhA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7g TALIN-1

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 SER A 379
ALA A 360
SER A 365
THR A 367
 None
 0.45A 4iklA-4f7gA:
undetectable
4iklB-4f7gA:
undetectable		 4iklA-4f7gA:
22.17
4iklB-4f7gA:
22.17
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.
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)
 0.93A 4iklA-4i8qA:
undetectable
4iklB-4i8qA:
undetectable		 4iklA-4i8qA:
12.90
4iklB-4i8qA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jdy PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Mycobacterium
tuberculosis) 		PF01680
(SOR_SNZ) 		4 SER A 153
ALA A 234
LEU A 232
THR A 216
 None
 0.98A 4iklA-4jdyA:
undetectable
4iklB-4jdyA:
undetectable		 4iklA-4jdyA:
20.38
4iklB-4jdyA:
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.
4pb0 AB53 LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER L  25
ALA L  92
LEU L  30
SER L  28
 None
 1.00A 4iklA-4pb0L:
undetectable
4iklB-4pb0L:
undetectable		 4iklA-4pb0L:
20.54
4iklB-4pb0L:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4po6 NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		no annotation 4 LEU A 170
ALA A 165
LEU A 167
SER A 218
 None
 0.94A 4iklA-4po6A:
undetectable
4iklB-4po6A:
undetectable		 4iklA-4po6A:
12.85
4iklB-4po6A:
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		4 SER A 267
ALA A 232
SER A 248
THR A 250
 289  A 417 (-2.6A)
289  A 416 (-3.5A)
289  A 417 (-1.3A)
289  A 416 ( 2.7A)
 0.93A 4iklA-4q1qA:
undetectable
4iklB-4q1qA:
undetectable		 4iklA-4q1qA:
17.88
4iklB-4q1qA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qci ANTI-PDGF-BB
ANTIBODY - LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER A 202
SER A 204
SER A 187
THR A 189
 None
 0.79A 4iklA-4qciA:
undetectable
4iklB-4qciA:
undetectable		 4iklA-4qciA:
22.27
4iklB-4qciA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		4 SER A 506
LEU A 590
LEU A 550
SER A 524
 None
 0.58A 4iklA-4ru4A:
undetectable
4iklB-4ru4A:
undetectable		 4iklA-4ru4A:
10.98
4iklB-4ru4A:
10.98
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.
4wso PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Burkholderia
thailandensis) 		PF01467
(CTP_transf_like) 		4 SER A 100
ALA A  88
LEU A  92
THR A  85
 None
 0.99A 4iklA-4wsoA:
undetectable
4iklB-4wsoA:
undetectable		 4iklA-4wsoA:
20.39
4iklB-4wsoA:
20.39
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.
4zs7 LLAMA FAB FRAGMENT
68F2 LIGHT CHAIN

(Lama glama) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER L  67
ALA L  23
SER L  74
THR L  72
 None
 0.92A 4iklA-4zs7L:
undetectable
4iklB-4zs7L:
undetectable		 4iklA-4zs7L:
23.50
4iklB-4zs7L:
23.50
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.
5aog CATIONIC PEROXIDASE
SPC4

(Sorghum bicolor) 		PF00141
(peroxidase) 		4 SER A 153
ALA A  73
LEU A  75
SER A 149
 None
HEM  A1341 (-3.7A)
None
None
 0.97A 4iklA-5aogA:
undetectable
4iklB-5aogA:
undetectable		 4iklA-5aogA:
16.56
4iklB-5aogA:
16.56
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.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		4 SER A 354
ALA A 326
SER A 381
THR A 383
 None
 0.46A 4iklA-5cxpA:
undetectable
4iklB-5cxpA:
undetectable		 4iklA-5cxpA:
14.74
4iklB-5cxpA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		4 SER A 198
ALA A 182
SER A 112
THR A 114
 None
 0.70A 4iklA-5e7pA:
undetectable
4iklB-5e7pA:
undetectable		 4iklA-5e7pA:
10.47
4iklB-5e7pA:
10.47
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.
5eyy CENTROLOBIUM
TOMENTOSUM LECTIN

(Centrolobium
tomentosum) 		PF00139
(Lectin_legB) 		4 SER A   7
LEU A 174
SER A 233
THR A 235
 None
 0.73A 4iklA-5eyyA:
undetectable
4iklB-5eyyA:
undetectable		 4iklA-5eyyA:
23.58
4iklB-5eyyA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fhx ANTIBODY FRAGMENT
HEAVY-CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H 259
LEU H 255
ALA H 268
SER H 258
 None
 1.00A 4iklA-5fhxH:
4.0
4iklB-5fhxH:
undetectable		 4iklA-5fhxH:
15.77
4iklB-5fhxH:
15.77
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 217
ALA A 174
SER A 203
THR A 205
 None
 0.49A 4iklA-5fp1A:
undetectable
4iklB-5fp1A:
undetectable		 4iklA-5fp1A:
11.42
4iklB-5fp1A:
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.
5frs SISTER CHROMATID
COHESION PROTEIN
PDS5

(Saccharomyces
cerevisiae) 		PF12717
(Cnd1) 		4 SER A 135
SER A  81
ALA A  88
LEU A  86
 None
 0.93A 4iklA-5frsA:
undetectable
4iklB-5frsA:
undetectable		 4iklA-5frsA:
12.75
4iklB-5frsA:
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.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		4 LEU A 356
LEU A 359
SER A 361
THR A 365
 None
 0.95A 4iklA-5fsaA:
undetectable
4iklB-5fsaA:
undetectable		 4iklA-5fsaA:
15.91
4iklB-5fsaA:
15.91
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.
5fws KREMEN PROTEIN 1

(Homo sapiens) 		PF00051
(Kringle)
PF00431
(CUB)
PF01822
(WSC) 		4 SER A 291
ALA A 315
LEU A 317
SER A 255
 NAG  A1326 ( 4.4A)
None
None
None
 0.78A 4iklA-5fwsA:
undetectable
4iklB-5fwsA:
undetectable		 4iklA-5fwsA:
13.17
4iklB-5fwsA:
13.17
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.
5fww KREMEN PROTEIN 1

(Homo sapiens) 		PF00051
(Kringle)
PF00431
(CUB)
PF01822
(WSC) 		4 SER B 291
ALA B 315
LEU B 317
SER B 255
 None
 0.68A 4iklA-5fwwB:
undetectable
4iklB-5fwwB:
undetectable		 4iklA-5fwwB:
18.09
4iklB-5fwwB:
18.09
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.
5fzp DISPASE
AUTOLYSIS-INDUCING
PROTEIN

(Streptomyces
mobaraensis) 		no annotation 4 SER A  42
LEU A 339
ALA A 326
LEU A 341
 None
 0.96A 4iklA-5fzpA:
undetectable
4iklB-5fzpA:
undetectable		 4iklA-5fzpA:
19.53
4iklB-5fzpA:
19.53
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.
5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR

(Acinetobacter
sp. ADP1) 		PF01614
(IclR) 		4 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 0.99A 4iklA-5hpiA:
undetectable
4iklB-5hpiA:
undetectable		 4iklA-5hpiA:
20.22
4iklB-5hpiA:
20.22
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.
5i8k HHH1 FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H 131
LEU H 127
ALA H 140
SER H 130
 None
 0.94A 4iklA-5i8kH:
3.2
4iklB-5i8kH:
undetectable		 4iklA-5i8kH:
19.53
4iklB-5i8kH:
19.53
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.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		4 SER A  27
LEU A 192
ALA A 131
THR A  91
 None
 0.99A 4iklA-5karA:
undetectable
4iklB-5karA:
undetectable		 4iklA-5karA:
16.95
4iklB-5karA:
16.95
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.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 4 LEU A 127
ALA A 223
LEU A 221
SER A 218
 None
 0.86A 4iklA-5mu5A:
undetectable
4iklB-5mu5A:
undetectable		 4iklA-5mu5A:
11.99
4iklB-5mu5A:
11.99
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 5 SER A 232
SER A 234
LEU A 113
SER A 128
THR A 130
 None
 0.66A 4iklA-5no8A:
undetectable
4iklB-5no8A:
1.8		 4iklA-5no8A:
13.14
4iklB-5no8A:
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.
5u38 LECTIN

(Platypodium
elegans) 		PF00139
(Lectin_legB) 		4 SER A   7
LEU A 174
SER A 233
THR A 235
 None
 0.58A 4iklA-5u38A:
undetectable
4iklB-5u38A:
undetectable		 4iklA-5u38A:
23.83
4iklB-5u38A:
23.83
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.
5usc PREPHENATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF02153
(PDH) 		4 SER A 180
ALA A  32
LEU A 149
THR A 178
 None
 0.83A 4iklA-5uscA:
undetectable
4iklB-5uscA:
undetectable		 4iklA-5uscA:
15.36
4iklB-5uscA:
15.36
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		4 LEU A 601
ALA A 572
LEU A 570
SER A 490
 None
 1.00A 4iklA-5w81A:
undetectable
4iklB-5w81A:
undetectable		 4iklA-5w81A:
6.56
4iklB-5w81A:
6.56
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.
5wa3 PYRIDINE SYNTHASE
TBTD

(Thermobispora
bispora) 		no annotation 4 SER A 233
SER A 229
LEU A 240
SER A 230
 None
 0.92A 4iklA-5wa3A:
undetectable
4iklB-5wa3A:
undetectable		 4iklA-5wa3A:
20.59
4iklB-5wa3A:
20.59
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.
5x04 DODECANOYL-[ACYL-CAR
RIER-PROTEIN]
HYDROLASE,
CHLOROPLASTIC

(Umbellularia
californica) 		no annotation 4 SER A 217
SER A 219
LEU A 356
THR A 169
 None
 0.85A 4iklA-5x04A:
undetectable
4iklB-5x04A:
undetectable		 4iklA-5x04A:
19.76
4iklB-5x04A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 SER C 803
LYS C 868
LEU C 793
LEU C 796
 None
 0.94A 4iklA-5y3rC:
undetectable
4iklB-5y3rC:
undetectable		 4iklA-5y3rC:
2.74
4iklB-5y3rC:
2.74