SIMILAR PATTERNS OF AMINO ACIDS FOR 5N0T_B_SAMB501

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.
1bw0 PROTEIN (TYROSINE
AMINOTRANSFERASE)

(Trypanosoma
cruzi) 		PF00155
(Aminotran_1_2) 		5 GLY A 249
VAL A  84
ALA A 220
PHE A  92
VAL A 236
 None
 1.00A 5n0tB-1bw0A:
1.9		 5n0tB-1bw0A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		5 ILE B 188
GLY B 189
ALA B 182
ILE B  17
ALA B  16
 None
 1.06A 5n0tB-1cp9B:
undetectable		 5n0tB-1cp9B:
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.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 ILE A 111
HIS A 113
ALA A 172
ILE A 177
ALA A 176
 None
 1.06A 5n0tB-1icpA:
0.3		 5n0tB-1icpA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ILE A 264
GLY A 266
PHE A 460
TYR A 174
ALA A 211
 None
 1.05A 5n0tB-1jx2A:
0.0		 5n0tB-1jx2A:
16.45
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 ILE B 188
GLY B 189
ALA B 182
ILE B  17
ALA B  16
 None
 1.02A 5n0tB-1k5sB:
undetectable		 5n0tB-1k5sB:
22.70
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.
1kyi ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		6 ILE A 253
GLY A 252
ALA A  71
ILE A  66
ALA A  67
VAL A  27
 None
 1.47A 5n0tB-1kyiA:
1.8		 5n0tB-1kyiA:
22.52
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 HIS B 532
ALA B 537
ILE B 546
ALA B 541
VAL B 519
 MCN  B4920 (-3.7A)
None
None
None
None
 1.04A 5n0tB-1n60B:
undetectable		 5n0tB-1n60B:
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.
1ofh ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		6 ILE A 253
GLY A 252
ALA A  71
ILE A  66
ALA A  67
VAL A  27
 None
 1.42A 5n0tB-1ofhA:
0.0		 5n0tB-1ofhA:
22.25
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.
1pn9 GLUTATHIONE
S-TRANSFERASE 1-6

(Anopheles
gambiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A 199
VAL A 168
ALA A  10
ALA A  14
MET A  17
 None
 1.07A 5n0tB-1pn9A:
undetectable		 5n0tB-1pn9A:
20.45
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.
1rii 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Mycobacterium
tuberculosis) 		PF00300
(His_Phos_1) 		5 ILE A 207
GLY A 184
HIS A 183
PHE A 160
VAL A 156
 None
None
GOL  A 501 ( 4.6A)
None
None
 1.07A 5n0tB-1riiA:
undetectable		 5n0tB-1riiA:
21.46
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.
1s0u TRANSLATION
INITIATION FACTOR 2
GAMMA SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 GLY A 336
ALA A 241
ILE A 318
ALA A 264
MET A 238
 None
 1.05A 5n0tB-1s0uA:
undetectable		 5n0tB-1s0uA:
22.91
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.
1s0u TRANSLATION
INITIATION FACTOR 2
GAMMA SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 ILE A 265
GLY A 315
ALA A 312
MET A 238
VAL A 320
 None
 0.97A 5n0tB-1s0uA:
undetectable		 5n0tB-1s0uA:
22.91
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.
1svd RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Halothiobacillus
neapolitanus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ILE A  94
GLY A  75
ALA A  77
ILE A  35
ALA A  92
 None
 0.95A 5n0tB-1svdA:
undetectable		 5n0tB-1svdA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1thm THERMITASE

(Thermoactinomyces
vulgaris) 		PF00082
(Peptidase_S8) 		5 GLY A 135
ALA A 173
ILE A 179
ALA A 178
VAL A 181
 None
None
None
NA  A 303 ( 4.6A)
None
 1.00A 5n0tB-1thmA:
undetectable		 5n0tB-1thmA:
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.
1uj4 RIBOSE 5-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF06026
(Rib_5-P_isom_A) 		5 PHE A 207
VAL A 208
ALA A  88
ILE A 121
ALA A 122
 None
 0.97A 5n0tB-1uj4A:
undetectable		 5n0tB-1uj4A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1usp ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN

(Deinococcus
radiodurans) 		PF02566
(OsmC) 		5 GLY B 112
HIS B 115
VAL B 137
ALA B 117
PHE B  58
 None
None
GOL  B1140 (-4.8A)
None
None
 1.04A 5n0tB-1uspB:
undetectable		 5n0tB-1uspB:
16.28
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 GLY A 237
VAL A 412
TYR A 401
ILE A 400
ALA A 329
 None
None
SO4  A 907 (-4.7A)
None
None
 1.02A 5n0tB-1wkbA:
undetectable		 5n0tB-1wkbA:
19.09
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.
1x9y CYSTEINE PROTEINASE

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47)
PF14731
(Staphopain_pro) 		5 ILE A 350
GLY A  66
VAL A 105
ALA A  70
ALA A 348
 None
 1.04A 5n0tB-1x9yA:
undetectable		 5n0tB-1x9yA:
21.87
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.
1ywg GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Plasmodium
falciparum) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE O 120
HIS O 333
ALA O 331
ILE O   8
VAL O  18
 None
 0.97A 5n0tB-1ywgO:
undetectable		 5n0tB-1ywgO:
23.06
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.
2ash QUEUINE
TRNA-RIBOSYLTRANSFER
ASE

(Thermotoga
maritima) 		PF01702
(TGT) 		5 ILE A 182
HIS A 143
PHE A  93
VAL A  95
ALA A 208
 None
None
EDO  A 404 ( 4.6A)
None
None
 1.03A 5n0tB-2ashA:
undetectable		 5n0tB-2ashA:
22.59
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.
2c5q RRAA-LIKE PROTEIN
YER010C

(Saccharomyces
cerevisiae) 		PF03737
(RraA-like) 		5 ILE A 169
PHE A  54
ILE A  75
ALA A  49
VAL A 116
 CME  A 170 ( 3.9A)
None
None
CME  A 170 ( 3.7A)
None
 0.99A 5n0tB-2c5qA:
undetectable		 5n0tB-2c5qA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e28 PYRUVATE KINASE

(Geobacillus
stearothermophilus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		5 GLY A  28
VAL A  62
ALA A 333
MET A 329
VAL A 310
 None
 1.02A 5n0tB-2e28A:
undetectable		 5n0tB-2e28A:
24.00
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.
2ebd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Aquifex
aeolicus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 234
HIS A 236
ALA A 275
ILE A 280
ALA A 279
 None
 1.06A 5n0tB-2ebdA:
undetectable		 5n0tB-2ebdA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gtx METHIONINE
AMINOPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		5 ILE A 149
GLY A 150
VAL A 164
ALA A 136
ILE A 238
 None
 1.03A 5n0tB-2gtxA:
undetectable		 5n0tB-2gtxA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i99 MU-CRYSTALLIN
HOMOLOG

(Homo sapiens) 		PF02423
(OCD_Mu_crystall) 		5 ILE A 154
VAL A 114
ALA A 121
ILE A 126
ALA A 125
 None
 0.90A 5n0tB-2i99A:
undetectable		 5n0tB-2i99A:
22.09
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.
2k7n PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE-LIKE 1

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 GLY A  65
PHE A  39
TYR A  78
ILE A  77
ALA A  75
 None
 0.96A 5n0tB-2k7nA:
undetectable		 5n0tB-2k7nA:
17.66
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.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		5 ILE A 126
GLY A 111
HIS A 109
PHE A  91
ALA A 127
 None
None
ZN  A 401 (-3.2A)
None
None
 1.00A 5n0tB-2nq9A:
undetectable		 5n0tB-2nq9A:
22.84
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.
2ntj ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 ILE A  10
GLY A  90
VAL A 184
ALA A  29
VAL A 242
 None
 1.05A 5n0tB-2ntjA:
2.0		 5n0tB-2ntjA:
22.06
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.
2ohf GTP-BINDING PROTEIN
9

(Homo sapiens) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 ILE A  25
GLY A 299
PHE A  38
ILE A  93
VAL A  28
 None
 1.00A 5n0tB-2ohfA:
undetectable		 5n0tB-2ohfA:
24.61
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.
2p6h HYPOTHETICAL PROTEIN

(Aeropyrum
pernix) 		PF01894
(UPF0047) 		6 ILE A  93
GLY A  89
HIS A  87
ALA A  47
ALA A  49
VAL A  16
 None
 1.25A 5n0tB-2p6hA:
undetectable		 5n0tB-2p6hA:
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 ILE A 368
VAL A 385
PHE A 390
ILE A 342
VAL A 401
 None
 0.99A 5n0tB-2qpsA:
undetectable		 5n0tB-2qpsA:
22.47
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.
2uur COLLAGEN ALPHA-1(IX)
CHAIN

(Homo sapiens) 		no annotation 5 ILE A 121
PHE A 172
VAL A 173
TYR A  88
ILE A 217
 None
 0.87A 5n0tB-2uurA:
undetectable		 5n0tB-2uurA:
18.33
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A 366
VAL A 379
ALA A 385
ILE A  13
ALA A 201
 None
None
None
FAD  A 601 ( 4.9A)
None
 1.01A 5n0tB-2wu5A:
undetectable		 5n0tB-2wu5A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 ILE A 343
GLY A 326
ALA A 366
ILE A 383
ALA A 379
 None
 0.93A 5n0tB-2y6iA:
undetectable		 5n0tB-2y6iA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 GLY B 287
VAL B 341
TYR B 328
ALA B 296
VAL B 283
 None
 0.99A 5n0tB-3aeqB:
3.4		 5n0tB-3aeqB:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fwz INNER MEMBRANE
PROTEIN YBAL

(Escherichia
coli) 		PF02254
(TrkA_N) 		5 ILE A 524
GLY A 492
HIS A 516
ALA A 513
ALA A 529
 None
 0.99A 5n0tB-3fwzA:
2.8		 5n0tB-3fwzA:
17.21
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.
3hs0 COBRA VENOM FACTOR
COBRA VENOM FACTOR

(Naja kaouthia;
Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep) 		5 ILE B 941
TYR C1268
ILE C1255
MET C1301
VAL C1291
 None
 1.07A 5n0tB-3hs0B:
undetectable		 5n0tB-3hs0B:
22.62
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.
3i7a PUTATIVE
METAL-DEPENDENT
PHOSPHOHYDROLASE

(Shewanella
amazonensis) 		PF08668
(HDOD) 		5 ILE A  61
ALA A  75
ILE A  85
ALA A  64
VAL A  82
 None
 1.05A 5n0tB-3i7aA:
undetectable		 5n0tB-3i7aA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3im8 MALONYL ACYL CARRIER
PROTEIN TRANSACYLASE

(Streptococcus
pneumoniae) 		PF00698
(Acyl_transf_1) 		5 ILE A  65
GLY A  10
PHE A 198
ALA A  64
VAL A 112
 None
None
ACT  A 500 (-4.8A)
None
None
 1.03A 5n0tB-3im8A:
undetectable		 5n0tB-3im8A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		5 ILE A 273
GLY A 236
ILE A 221
MET A 274
VAL A 197
 None
 1.07A 5n0tB-3ipwA:
undetectable		 5n0tB-3ipwA:
21.64
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.
3j04 MYOSIN-11

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		5 ILE A 262
GLY A 264
PHE A 460
TYR A 161
ALA A 198
 None
 1.05A 5n0tB-3j04A:
undetectable		 5n0tB-3j04A:
18.74
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.
3jsa HOMOSERINE
DEHYDROGENASE

(Thermoplasma
volcanium) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ILE A   8
GLY A  10
PHE A 103
ILE A  86
VAL A 115
 None
NAD  A 501 (-3.4A)
None
None
None
 0.96A 5n0tB-3jsaA:
undetectable		 5n0tB-3jsaA:
23.13
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.
3kbe SUPEROXIDE DISMUTASE
[CU-ZN]

(Caenorhabditis
elegans) 		PF00080
(Sod_Cu) 		5 ILE A 151
ALA A   4
ILE A  17
ALA A   6
MET A 116
 None
 1.02A 5n0tB-3kbeA:
undetectable		 5n0tB-3kbeA:
17.38
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.
3kdn RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Thermococcus
kodakarensis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ILE A 278
GLY A 280
HIS A 281
VAL A 257
ALA A 271
 None
None
CAP  A 600 (-4.1A)
None
None
 1.06A 5n0tB-3kdnA:
undetectable		 5n0tB-3kdnA:
23.95
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.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 ILE A 283
HIS A  19
ALA A 311
ILE A 318
ALA A 314
 None
FAD  A 416 (-4.3A)
None
None
None
 1.06A 5n0tB-3lxdA:
undetectable		 5n0tB-3lxdA:
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.
3otr ENOLASE

(Toxoplasma
gondii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 359
GLY A 360
VAL A  36
ALA A 365
ALA A 368
 None
 1.02A 5n0tB-3otrA:
undetectable		 5n0tB-3otrA:
21.25
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.
3t05 PYRUVATE KINASE

(Staphylococcus
aureus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		5 GLY A  27
VAL A  61
ALA A 331
MET A 327
VAL A 308
 None
 0.98A 5n0tB-3t05A:
undetectable		 5n0tB-3t05A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		5 GLY A  95
PHE A 440
ALA A 445
ILE A 450
ALA A 449
 None
 0.99A 5n0tB-3wc3A:
undetectable		 5n0tB-3wc3A:
23.17
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		5 ILE A 156
GLY A 157
HIS A 218
ILE A 148
ALA A 149
 None
 1.00A 5n0tB-3wqoA:
undetectable		 5n0tB-3wqoA:
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.
4ade SUCCINYLORNITHINE
TRANSAMINASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 GLY A 334
PHE A 315
VAL A 316
ILE A 367
ALA A 368
 None
 1.02A 5n0tB-4adeA:
undetectable		 5n0tB-4adeA:
23.22
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.
4atw ALPHA-L-ARABINOFURAN
OSIDASE DOMAIN
PROTEIN

(Thermotoga
maritima) 		PF06964
(Alpha-L-AF_C) 		5 ILE A 169
GLY A 168
ALA A 209
ALA A 191
VAL A 228
 None
 1.01A 5n0tB-4atwA:
undetectable		 5n0tB-4atwA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE

(Mus musculus) 		PF02423
(OCD_Mu_crystall) 		5 ILE A 153
VAL A 113
ALA A 120
ILE A 125
ALA A 124
 None
 0.90A 5n0tB-4bvaA:
undetectable		 5n0tB-4bvaA:
22.69
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.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 ILE A 152
GLY A 133
HIS A 135
PHE A 225
ILE A 264
 None
 1.01A 5n0tB-4ccwA:
1.8		 5n0tB-4ccwA:
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.
4cpd ALCOHOL
DEHYDROGENASE

(Thermus sp.
ATN1) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 185
GLY A 181
ALA A 209
ILE A 215
ALA A 214
 None
 1.02A 5n0tB-4cpdA:
1.9		 5n0tB-4cpdA:
23.78
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.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		no annotation 5 ILE D 253
GLY D 235
HIS D 237
ALA D 239
PHE D 129
 None
 1.01A 5n0tB-4em6D:
undetectable		 5n0tB-4em6D:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hy3 PHOSPHOGLYCERATE
OXIDOREDUCTASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		5 ILE A 241
GLY A 116
VAL A 172
ALA A 120
ALA A 239
 None
 0.99A 5n0tB-4hy3A:
undetectable		 5n0tB-4hy3A:
22.67
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.04A 5n0tB-4ituA:
undetectable		 5n0tB-4ituA:
20.19
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.
4ix8 TYROSINE
AMINOTRANSFERASE

(Leishmania
infantum) 		PF00155
(Aminotran_1_2) 		5 GLY A 282
VAL A 122
ALA A 257
PHE A 129
VAL A 269
 None
 1.03A 5n0tB-4ix8A:
1.2		 5n0tB-4ix8A:
22.04
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A 391
GLY A 234
ALA A 388
ALA A 392
MET A 395
 None
 1.02A 5n0tB-4mz0A:
undetectable		 5n0tB-4mz0A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o7d GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 ILE A 488
GLY A 514
HIS A 516
PHE A 468
ALA A 480
 None
 1.01A 5n0tB-4o7dA:
undetectable		 5n0tB-4o7dA:
19.49
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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 ILE B 188
GLY B 189
ALA B 182
ILE B  17
ALA B  16
 None
 1.00A 5n0tB-4pelB:
undetectable		 5n0tB-4pelB:
22.28
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.
4rmf ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycolicibacterium
smegmatis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ILE A 531
GLY A 484
ILE A 246
MET A 233
VAL A 250
 None
 0.97A 5n0tB-4rmfA:
undetectable		 5n0tB-4rmfA:
22.61
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.
4rph UDP-GALACTOPYRANOSE
MUTASE

(Mycobacterium
tuberculosis) 		no annotation 5 ILE B 126
GLY B 150
PHE B 157
VAL B 158
ALA B 122
 None
None
None
GDU  B 402 (-3.2A)
None
 0.89A 5n0tB-4rphB:
undetectable		 5n0tB-4rphB:
25.55
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ILE A 358
GLY A 391
VAL A 397
PHE A 350
ALA A 357
 None
 0.97A 5n0tB-4umvA:
undetectable		 5n0tB-4umvA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ILE A 358
GLY A 391
VAL A 397
PHE A 350
MET A 359
 None
 1.01A 5n0tB-4umvA:
undetectable		 5n0tB-4umvA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4unf ENDONUCLEASE III-1

(Deinococcus
radiodurans) 		PF00730
(HhH-GPD) 		5 ILE A 179
GLY A 177
PHE A 246
ALA A 187
VAL A 169
 None
 1.02A 5n0tB-4unfA:
undetectable		 5n0tB-4unfA:
20.91
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.
4wnz CRISPR SYSTEM CMR
SUBUNIT CMR4

(Pyrococcus
furiosus) 		PF03787
(RAMPs) 		5 ILE A 142
GLY A  99
ALA A 102
ILE A 191
ALA A 189
 None
 1.06A 5n0tB-4wnzA:
undetectable		 5n0tB-4wnzA:
23.09
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.
4wnz CRISPR SYSTEM CMR
SUBUNIT CMR4

(Pyrococcus
furiosus) 		PF03787
(RAMPs) 		5 ILE A 142
GLY A 186
VAL A 169
ALA A 138
VAL A 104
 None
 1.04A 5n0tB-4wnzA:
undetectable		 5n0tB-4wnzA:
23.09
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.
4wse PUTATIVE POLY(A)
POLYMERASE CATALYTIC
SUBUNIT

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 5 ILE A 248
GLY A 247
VAL A 375
ILE A 281
ALA A 282
 None
 0.91A 5n0tB-4wseA:
undetectable		 5n0tB-4wseA:
19.22
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.
4x0l HAPTOGLOBIN

(Homo sapiens) 		PF00089
(Trypsin) 		6 ILE C 265
HIS C 362
ALA C 360
ILE C 374
ALA C 358
VAL C 392
 None
 1.49A 5n0tB-4x0lC:
undetectable		 5n0tB-4x0lC:
21.50
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.
4xcr SUPEROXIDE DISMUTASE
[CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 ILE A 106
ALA A   4
ILE A  18
ALA A   6
VAL A  31
 None
 1.05A 5n0tB-4xcrA:
undetectable		 5n0tB-4xcrA:
13.90
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		6 ILE A  10
GLY A  13
PHE A  48
ALA A  22
PHE A  49
ALA A   8
 None
 1.49A 5n0tB-4yaiA:
2.4		 5n0tB-4yaiA:
22.87
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A 204
GLY A 191
VAL A  24
ALA A 193
ILE A 127
 None
 1.07A 5n0tB-4ynnA:
undetectable		 5n0tB-4ynnA:
23.33
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.
4yo1 DEGQ

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A 204
GLY A 191
VAL A  24
ALA A 193
ILE A 127
 None
 1.03A 5n0tB-4yo1A:
undetectable		 5n0tB-4yo1A:
22.14
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.
4yzf BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF00955
(HCO3_cotransp) 		6 HIS A 734
PHE A 411
VAL A 409
ALA A 416
ILE A 421
ALA A 420
 None
 1.40A 5n0tB-4yzfA:
undetectable		 5n0tB-4yzfA:
17.90
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.
5d3o GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 ILE A 493
GLY A 519
HIS A 521
PHE A 473
ALA A 485
 None
 1.00A 5n0tB-5d3oA:
undetectable		 5n0tB-5d3oA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5djb MICROCOMPARTMENTS
PROTEIN

(Haliangium
ochraceum) 		PF00936
(BMC) 		5 GLY A  60
VAL A  70
ALA A  20
ILE A  32
VAL A  45
 None
 0.96A 5n0tB-5djbA:
undetectable		 5n0tB-5djbA:
12.09
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.
5ee0 OBG-LIKE ATPASE 1

(Oryza sativa) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 ILE A  27
GLY A 298
PHE A  40
ILE A  95
VAL A  30
 None
 0.95A 5n0tB-5ee0A:
undetectable		 5n0tB-5ee0A:
24.15
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.
5fim YGAU

(Escherichia
coli) 		PF01476
(LysM)
PF04972
(BON) 		5 ILE A  50
GLY A  53
PHE A   6
ALA A  55
ALA A  28
 None
 0.91A 5n0tB-5fimA:
undetectable		 5n0tB-5fimA:
17.05
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.
5gne LEUCINE
AMINOPEPTIDASE

(Legionella
pneumophila) 		PF04389
(Peptidase_M28) 		6 ILE A 214
GLY A 156
ALA A 160
PHE A 183
ILE A 255
ALA A 256
 None
 1.28A 5n0tB-5gneA:
undetectable		 5n0tB-5gneA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5id6 CPF1

(Lachnospiraceae
bacterium
ND2006) 		no annotation 5 ILE A1187
GLY A1183
ALA A1188
ILE A 922
ALA A 923
 None
 1.00A 5n0tB-5id6A:
undetectable		 5n0tB-5id6A:
16.24
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.
5ipw OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 ILE A 490
VAL A 381
ALA A 390
ILE A 395
ALA A 394
 None
 1.05A 5n0tB-5ipwA:
undetectable		 5n0tB-5ipwA:
20.50
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.
5j0c SUPEROXIDE DISMUTASE
[CU-ZN],SUPEROXIDE
DISMUTASE
[CU-ZN],OXIDOREDUCTA
SE,SUPEROXIDE
DISMUTASE [CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 ILE A  80
ALA A  92
ILE A 106
ALA A  94
VAL A   5
 None
 1.07A 5n0tB-5j0cA:
undetectable		 5n0tB-5j0cA:
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.
5j0f SUPEROXIDE DISMUTASE
[CU-ZN],OXIDOREDUCTA
SE,SUPEROXIDE
DISMUTASE [CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 ILE A  56
ALA A  68
ILE A  82
ALA A  70
VAL A  95
 None
 1.06A 5n0tB-5j0fA:
undetectable		 5n0tB-5j0fA:
14.82
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.
5l8s AMINO ACYL PEPTIDASE

(Sporosarcina
psychrophila) 		PF00326
(Peptidase_S9) 		5 ILE A 292
GLY A 307
HIS A 314
VAL A 312
ILE A 271
 None
 0.99A 5n0tB-5l8sA:
2.4		 5n0tB-5l8sA:
21.36
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.
5m10 CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE

(Thermocrispum
municipale) 		PF07992
(Pyr_redox_2) 		5 GLY A 511
PHE A 248
PHE A 279
ILE A 289
ALA A 290
 None
 1.02A 5n0tB-5m10A:
undetectable		 5n0tB-5m10A:
21.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n0o PEPTIDE
N-METHYLTRANSFERASE

(Omphalotus
olearius) 		no annotation 7 ILE A  19
GLY A  18
ALA A 130
TYR A 211
ILE A 212
ALA A 213
VAL A 243
 SAM  A 501 (-4.5A)
None
SAM  A 501 (-3.2A)
SAM  A 501 (-4.7A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.0A)
 0.89A 5n0tB-5n0oA:
23.0		 5n0tB-5n0oA:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n0o PEPTIDE
N-METHYLTRANSFERASE

(Omphalotus
olearius) 		no annotation 11 ILE A  19
GLY A  99
HIS A 100
PHE A 104
VAL A 105
ALA A 130
PHE A 171
TYR A 211
ILE A 212
ALA A 213
VAL A 243
 SAM  A 501 (-4.5A)
SAM  A 501 (-3.5A)
None
None
None
SAM  A 501 (-3.2A)
SAM  A 501 (-4.3A)
SAM  A 501 (-4.7A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.0A)
 0.18A 5n0tB-5n0oA:
23.0		 5n0tB-5n0oA:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n0o PEPTIDE
N-METHYLTRANSFERASE

(Omphalotus
olearius) 		no annotation 5 ILE A  19
GLY A  99
HIS A 100
VAL A 105
MET A 215
 SAM  A 501 (-4.5A)
SAM  A 501 (-3.5A)
None
None
None
 0.87A 5n0tB-5n0oA:
23.0		 5n0tB-5n0oA:
99.75
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.
5tch TRYPTOPHAN SYNTHASE
BETA CHAIN

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 GLY B 149
TYR B 200
ILE B 121
ALA B 187
VAL B 145
 None
 1.07A 5n0tB-5tchB:
undetectable		 5n0tB-5tchB:
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.
5txv ATP-DEPENDENT
PROTEASE ATPASE
SUBUNIT HSLU

(Escherichia
coli) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		6 ILE A 252
GLY A 251
ALA A  71
ILE A  66
ALA A  67
VAL A  27
 None
 1.45A 5n0tB-5txvA:
1.6		 5n0tB-5txvA:
21.34
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.
5ucd NAD(P)-DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 ILE A 135
GLY A 136
PHE A 190
ILE A  76
ALA A  79
 None
 1.05A 5n0tB-5ucdA:
1.6		 5n0tB-5ucdA:
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.
5uqe GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase)
PF12796
(Ank_2) 		5 ILE A 488
GLY A 514
HIS A 516
PHE A 468
ALA A 480
 None
 1.03A 5n0tB-5uqeA:
undetectable		 5n0tB-5uqeA:
20.64
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.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 ILE A1442
GLY A1509
ALA A1235
MET A1424
VAL A1206
 None
 0.80A 5n0tB-5vadA:
undetectable		 5n0tB-5vadA:
22.59
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.
5vey HISTONE H2B TYPE
1-J,HISTONE H2A TYPE
1-B/E

(Homo sapiens) 		PF00125
(Histone)
PF16211
(Histone_H2A_C) 		5 ILE A 167
GLY A 156
HIS A  25
ILE A  37
ALA A  34
 None
 1.02A 5n0tB-5veyA:
undetectable		 5n0tB-5veyA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycobacterium
tuberculosis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ILE A 534
GLY A 487
ILE A 249
MET A 236
VAL A 253
 None
 0.99A 5n0tB-5w25A:
undetectable		 5n0tB-5w25A:
21.45
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 GLY A 233
VAL A  89
PHE A  36
ILE A  42
ALA A  43
 None
 1.01A 5n0tB-5wugA:
undetectable		 5n0tB-5wugA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8

(Homo sapiens) 		no annotation 5 ILE E 323
GLY E1281
VAL E1159
ALA E 355
VAL E1264
 None
 0.91A 5n0tB-6c3pE:
undetectable		 5n0tB-6c3pE:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 5 ILE A 469
GLY A 470
ALA A 391
ALA A 395
VAL A 459
 ADP  A 501 (-3.5A)
ADP  A 501 (-3.4A)
ADP  A 501 ( 4.5A)
ADP  A 501 ( 3.9A)
ADP  A 501 ( 3.9A)
 1.01A 5n0tB-6c8zA:
2.2		 5n0tB-6c8zA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f42 DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT RPAC1

(Saccharomyces
cerevisiae) 		no annotation 6 ILE C  63
VAL C  42
ALA C  64
PHE C 300
ILE C  70
ALA C  66
 None
 1.48A 5n0tB-6f42C:
undetectable		 5n0tB-6f42C:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jpf HYPOTHETICAL PROTEIN

(Bordetella
parapertussis) 		PF11516
(DUF3220) 		4 TYR A  63
SER A  58
GLN A  88
THR A  93
 None
 1.17A 5n0tB-2jpfA:
undetectable		 5n0tB-2jpfA:
16.21
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 TYR A1093
SER A1150
GLN A1208
THR A1206
 None
 1.48A 5n0tB-2np0A:
0.0		 5n0tB-2np0A:
14.09
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.
2wsu PUTATIVE FIBER
PROTEIN

(Porcine
mastadenovirus
B) 		PF00337
(Gal-bind_lectin) 		4 TYR A 487
SER A 452
GLN A 504
THR A 427
 None
 1.46A 5n0tB-2wsuA:
0.0		 5n0tB-2wsuA:
20.56
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 4 TYR A 328
SER A 325
GLN A  74
THR A  65
 None
 1.38A 5n0tB-3ahmA:
0.0		 5n0tB-3ahmA:
22.39
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 TYR A 367
SER A 387
GLN A 379
THR A 216
 None
 1.39A 5n0tB-3fjoA:
0.9		 5n0tB-3fjoA:
21.04
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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 TYR A 502
SER A 450
GLN A 416
THR A 415
 None
 1.31A 5n0tB-3hs0A:
0.0		 5n0tB-3hs0A:
20.45
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.
3tj0 NUCLEOPROTEIN

(Influenza B
virus) 		PF00506
(Flu_NP) 		4 TYR A 363
SER A 436
GLN A 440
THR A 406
 None
 1.47A 5n0tB-3tj0A:
0.2		 5n0tB-3tj0A:
20.14
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.
4hbz PUTATIVE
PHOSPHOHISTIDINE
PHOSPHATASE, SIXA

(Nakamurella
multipartita) 		PF00300
(His_Phos_1) 		4 TYR A  86
SER A  66
GLN A  73
THR A  74
 None
 1.30A 5n0tB-4hbzA:
3.9		 5n0tB-4hbzA:
18.93
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.
4j7b POLO-LIKE KINASE

(Danio rerio) 		PF00659
(POLO_box) 		4 TYR B 573
SER B 569
GLN B 527
THR B 530
 None
 1.48A 5n0tB-4j7bB:
0.0		 5n0tB-4j7bB:
19.52