SIMILAR PATTERNS OF AMINO ACIDS FOR 1ICV_B_NIOB702

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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		4 PHE A 336
GLY A 348
SER A 384
PHE A 381
 None
 1.22A 1icvA-1clwA:
0.0
1icvB-1clwA:
0.0		 1icvA-1clwA:
18.05
1icvB-1clwA:
18.05
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.
1ddv GLGF-DOMAIN PROTEIN
HOMER

(Rattus
norvegicus) 		PF00568
(WH1) 		4 GLY A  89
SER A  71
THR A  70
PHE A  74
 None
 1.19A 1icvA-1ddvA:
0.0
1icvB-1ddvA:
0.0		 1icvA-1ddvA:
18.48
1icvB-1ddvA:
18.48
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 PHE A 425
GLY A 502
SER A  13
THR A  14
 None
 1.11A 1icvA-1dedA:
0.0
1icvB-1dedA:
0.0		 1icvA-1dedA:
16.14
1icvB-1dedA:
16.14
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.
1jxn ANTI-H(O) LECTIN I

(Ulex europaeus) 		PF00139
(Lectin_legB) 		4 GLY A 104
SER A 215
THR A  90
PHE A 107
 MFU  A 501 (-3.5A)
None
None
None
 1.34A 1icvA-1jxnA:
0.0
1icvB-1jxnA:
0.0		 1icvA-1jxnA:
21.84
1icvB-1jxnA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 PHE A 152
GLY A 132
SER A 174
THR A 175
 None
 1.08A 1icvA-1l1fA:
0.7
1icvB-1l1fA:
0.0		 1icvA-1l1fA:
19.29
1icvB-1l1fA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		4 PHE A 242
GLY A 224
THR A 227
PHE A 260
 None
 1.05A 1icvA-1narA:
0.0
1icvB-1narA:
0.0		 1icvA-1narA:
22.34
1icvB-1narA:
22.34
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.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 PHE A 187
GLY A 236
SER A 171
PHE A 214
 None
 1.10A 1icvA-1pguA:
0.0
1icvB-1pguA:
0.0		 1icvA-1pguA:
17.89
1icvB-1pguA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qnl ALIPHATIC AMIDASE
EXPRESSION-REGULATIN
G PROTEIN

(Pseudomonas
aeruginosa) 		PF13433
(Peripla_BP_5) 		4 PHE A 268
GLY A  30
THR A 281
PHE A 276
 None
 1.39A 1icvA-1qnlA:
0.0
1icvB-1qnlA:
0.0		 1icvA-1qnlA:
19.44
1icvB-1qnlA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rpu 19 KDA PROTEIN

(Carnation
Italian
ringspot virus) 		PF03220
(Tombus_P19) 		4 PHE A 116
GLY A  58
SER A  82
THR A  79
 None
 1.24A 1icvA-1rpuA:
0.0
1icvB-1rpuA:
0.0		 1icvA-1rpuA:
21.40
1icvB-1rpuA:
21.40
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.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		4 PHE A  88
GLY A  82
SER A  16
THR A  94
 None
 1.09A 1icvA-1sp3A:
undetectable
1icvB-1sp3A:
undetectable		 1icvA-1sp3A:
19.38
1icvB-1sp3A:
19.38
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 404
SER A 410
THR A 268
PHE A 408
 ACE  A 633 (-3.1A)
None
None
None
 1.13A 1icvA-1tqyA:
undetectable
1icvB-1tqyA:
undetectable		 1icvA-1tqyA:
20.53
1icvB-1tqyA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 407
SER A 410
THR A 268
PHE A 408
 None
 1.35A 1icvA-1tqyA:
undetectable
1icvB-1tqyA:
undetectable		 1icvA-1tqyA:
20.53
1icvB-1tqyA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 PHE B 136
GLY A 406
SER B 145
PHE A 408
 None
 1.37A 1icvA-1tqyB:
undetectable
1icvB-1tqyB:
undetectable		 1icvA-1tqyB:
21.36
1icvB-1tqyB:
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		4 PHE A 427
GLY A 518
THR A 513
PHE A 685
 None
 1.15A 1icvA-1w27A:
undetectable
1icvB-1w27A:
undetectable		 1icvA-1w27A:
17.89
1icvB-1w27A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 PHE 1 254
SER 1 447
THR 1 243
PHE 1 268
 None
 1.30A 1icvA-1wao1:
undetectable
1icvB-1wao1:
undetectable		 1icvA-1wao1:
19.18
1icvB-1wao1:
19.18
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes) 		PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C) 		4 PHE A 838
GLY A 836
THR A 886
PHE A 834
 None
 1.40A 1icvA-1xf1A:
undetectable
1icvB-1xf1A:
undetectable		 1icvA-1xf1A:
14.04
1icvB-1xf1A:
14.04
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 GLY A 293
SER A 324
THR A 290
PHE A 265
 None
 1.17A 1icvA-1xhbA:
undetectable
1icvB-1xhbA:
undetectable		 1icvA-1xhbA:
19.49
1icvB-1xhbA:
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.
1xtz RIBOSE-5-PHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF06026
(Rib_5-P_isom_A) 		4 PHE A 237
GLY A 121
SER A  46
THR A  78
 None
 1.38A 1icvA-1xtzA:
undetectable
1icvB-1xtzA:
undetectable		 1icvA-1xtzA:
23.60
1icvB-1xtzA:
23.60
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.
1zc1 UBIQUITIN FUSION
DEGRADATION PROTEIN
1

(Saccharomyces
cerevisiae) 		PF03152
(UFD1) 		4 PHE A 151
GLY A  45
SER A 163
THR A 168
 None
 1.23A 1icvA-1zc1A:
undetectable
1icvB-1zc1A:
undetectable		 1icvA-1zc1A:
18.83
1icvB-1zc1A:
18.83
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 262
SER A 283
THR A 282
PHE A 274
 None
 1.34A 1icvA-2bc0A:
undetectable
1icvB-2bc0A:
undetectable		 1icvA-2bc0A:
18.71
1icvB-2bc0A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bs4 QUINOL-FUMARATE
REDUCTASE DIHEME
CYTOCHROME B SUBUNIT
C

(Wolinella
succinogenes) 		PF01127
(Sdh_cyt) 		4 GLY C  43
SER C  49
THR C  50
PHE C  47
 None
 1.31A 1icvA-2bs4C:
undetectable
1icvB-2bs4C:
undetectable		 1icvA-2bs4C:
22.76
1icvB-2bs4C:
22.76
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.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 PHE A 106
GLY A 443
SER A 450
THR A 437
 None
 1.38A 1icvA-2c3dA:
undetectable
1icvB-2c3dA:
undetectable		 1icvA-2c3dA:
18.32
1icvB-2c3dA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cp7 RESTIN

(Mus musculus) 		PF01302
(CAP_GLY) 		4 PHE A  59
GLY A  39
THR A  30
PHE A  68
 None
 1.26A 1icvA-2cp7A:
undetectable
1icvB-2cp7A:
undetectable		 1icvA-2cp7A:
18.84
1icvB-2cp7A:
18.84
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.
2fbe PREDICTED: SIMILAR
TO RET FINGER
PROTEIN-LIKE 1

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		4 GLY A  99
SER A 114
THR A 102
PHE A 100
 None
 1.36A 1icvA-2fbeA:
undetectable
1icvB-2fbeA:
undetectable		 1icvA-2fbeA:
23.11
1icvB-2fbeA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h63 BILIVERDIN REDUCTASE
A

(Homo sapiens) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		4 GLY A 148
SER A 211
THR A 207
PHE A 180
 None
 1.14A 1icvA-2h63A:
undetectable
1icvB-2h63A:
undetectable		 1icvA-2h63A:
22.22
1icvB-2h63A:
22.22
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.
2i3f GLYCOLIPID
TRANSFER-LIKE
PROTEIN

(Galdieria
sulphuraria) 		PF08718
(GLTP) 		4 PHE A  49
GLY A 148
THR A 126
PHE A 145
 None
 1.40A 1icvA-2i3fA:
undetectable
1icvB-2i3fA:
undetectable		 1icvA-2i3fA:
20.58
1icvB-2i3fA:
20.58
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.
2i44 SERINE-THREONINE
PHOSPHATASE 2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		4 PHE A  66
GLY A  64
THR A  16
PHE A  62
 None
 1.29A 1icvA-2i44A:
undetectable
1icvB-2i44A:
undetectable		 1icvA-2i44A:
23.53
1icvB-2i44A:
23.53
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.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 PHE A 438
GLY A 468
THR A 176
PHE A 426
 None
 1.26A 1icvA-2isaA:
undetectable
1icvB-2isaA:
undetectable		 1icvA-2isaA:
17.77
1icvB-2isaA:
17.77
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.
2og2 PUTATIVE SIGNAL
RECOGNITION PARTICLE
RECEPTOR

(Arabidopsis
thaliana) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 PHE A 322
GLY A 288
SER A 293
PHE A  71
 None
 1.04A 1icvA-2og2A:
undetectable
1icvB-2og2A:
undetectable		 1icvA-2og2A:
20.41
1icvB-2og2A:
20.41
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.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		4 PHE A 314
GLY A 262
THR A 256
PHE A 260
 None
 1.34A 1icvA-2qezA:
undetectable
1icvB-2qezA:
undetectable		 1icvA-2qezA:
18.64
1icvB-2qezA:
18.64
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		4 GLY A 313
SER A  69
THR A  70
PHE A  67
 None
 1.13A 1icvA-2qt3A:
undetectable
1icvB-2qt3A:
undetectable		 1icvA-2qt3A:
20.70
1icvB-2qt3A:
20.70
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		4 PHE A 381
GLY A 393
SER A 429
PHE A 426
 None
 1.25A 1icvA-2v5iA:
undetectable
1icvB-2v5iA:
undetectable		 1icvA-2v5iA:
16.73
1icvB-2v5iA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v8j PECTATE LYASE

(Yersinia
enterocolitica) 		PF06917
(Pectate_lyase_2) 		4 PHE A  49
GLY A 121
THR A 514
PHE A 111
 None
 1.07A 1icvA-2v8jA:
undetectable
1icvB-2v8jA:
undetectable		 1icvA-2v8jA:
17.76
1icvB-2v8jA:
17.76
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		4 PHE A  96
GLY A 208
THR A 279
PHE A 238
 None
 0.93A 1icvA-2wk8A:
undetectable
1icvB-2wk8A:
undetectable		 1icvA-2wk8A:
22.86
1icvB-2wk8A:
22.86
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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		4 GLY A 273
SER A 325
THR A 328
PHE A 292
 C5P  A1344 (-3.2A)
None
None
C5P  A1344 (-4.6A)
 1.33A 1icvA-2wnbA:
undetectable
1icvB-2wnbA:
undetectable		 1icvA-2wnbA:
20.77
1icvB-2wnbA:
20.77
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.
2ynp COATOMER SUBUNIT
BETA'

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		4 PHE A 136
GLY A 171
SER A 154
THR A 155
 None
 1.02A 1icvA-2ynpA:
undetectable
1icvB-2ynpA:
undetectable		 1icvA-2ynpA:
17.00
1icvB-2ynpA:
17.00
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.
2yoy RBAM17540

(Bacillus
amyloliquefaciens) 		PF03067
(LPMO_10) 		4 PHE A 196
GLY A  69
SER A 193
THR A 192
 CU1  A 300 (-4.8A)
None
None
EDO  A1206 ( 3.0A)
 1.31A 1icvA-2yoyA:
undetectable
1icvB-2yoyA:
undetectable		 1icvA-2yoyA:
22.62
1icvB-2yoyA:
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLY A 121
SER A 180
THR A 176
PHE A 118
 None
THM  A6510 ( 4.7A)
None
None
 1.28A 1icvA-2z1aA:
undetectable
1icvB-2z1aA:
undetectable		 1icvA-2z1aA:
17.59
1icvB-2z1aA:
17.59
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.
3blz NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Shewanella
baltica) 		PF12893
(Lumazine_bd_2) 		4 PHE A 101
GLY A  98
SER A  70
PHE A  67
 None
 1.33A 1icvA-3blzA:
undetectable
1icvB-3blzA:
undetectable		 1icvA-3blzA:
21.80
1icvB-3blzA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cg1 UPF0100 PROTEIN
PF0080

(Pyrococcus
furiosus) 		PF13531
(SBP_bac_11) 		4 PHE A 115
GLY A  93
SER A  42
PHE A  47
 None
None
WO4  A 701 (-3.0A)
None
 1.38A 1icvA-3cg1A:
undetectable
1icvB-3cg1A:
undetectable		 1icvA-3cg1A:
21.43
1icvB-3cg1A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 PHE A 501
GLY A 469
SER A 826
THR A 829
 None
 1.17A 1icvA-3ecqA:
undetectable
1icvB-3ecqA:
undetectable		 1icvA-3ecqA:
9.53
1icvB-3ecqA:
9.53
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.
3elz ILEAL BILE
ACID-BINDING PROTEIN

(Danio rerio) 		PF14651
(Lipocalin_7) 		4 PHE A   2
GLY A  88
SER A  84
THR A  91
 None
 1.35A 1icvA-3elzA:
undetectable
1icvB-3elzA:
undetectable		 1icvA-3elzA:
20.44
1icvB-3elzA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7n LIPASE

(Penicillium
expansum) 		PF01764
(Lipase_3) 		4 GLY A 246
SER A 216
THR A 217
PHE A   8
 None
 1.40A 1icvA-3g7nA:
undetectable
1icvB-3g7nA:
undetectable		 1icvA-3g7nA:
20.00
1icvB-3g7nA:
20.00
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.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 PHE A 230
GLY A 232
SER A 202
THR A 205
 None
 1.20A 1icvA-3gb0A:
3.1
1icvB-3gb0A:
undetectable		 1icvA-3gb0A:
22.10
1icvB-3gb0A:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 PHE A  93
GLY A 252
THR A 179
PHE A 162
 EEE  A 300 (-4.5A)
None
GOL  A 274 (-4.1A)
None
 1.21A 1icvA-3heaA:
undetectable
1icvB-3heaA:
undetectable		 1icvA-3heaA:
21.75
1icvB-3heaA:
21.75
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.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 PHE A 272
GLY A 243
SER A 247
PHE A 241
 None
None
GOL  A 602 ( 4.3A)
PR8  A 601 ( 4.1A)
 1.24A 1icvA-3ialA:
2.1
1icvB-3ialA:
undetectable		 1icvA-3ialA:
17.53
1icvB-3ialA:
17.53
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.
3icf SERINE/THREONINE-PRO
TEIN PHOSPHATASE T

(Saccharomyces
cerevisiae) 		PF00149
(Metallophos)
PF08321
(PPP5) 		4 PHE A 261
SER A 454
THR A 250
PHE A 275
 None
 1.33A 1icvA-3icfA:
undetectable
1icvB-3icfA:
undetectable		 1icvA-3icfA:
20.06
1icvB-3icfA:
20.06
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.
3lku UPF0363 PROTEIN
YOR164C

(Saccharomyces
cerevisiae) 		PF04190
(DUF410) 		4 PHE A  63
GLY A  59
THR A  35
PHE A  20
 None
 1.23A 1icvA-3lkuA:
undetectable
1icvB-3lkuA:
undetectable		 1icvA-3lkuA:
21.12
1icvB-3lkuA:
21.12
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.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN

(Enterococcus
faecium) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		4 PHE A 191
GLY A 187
SER A 205
THR A 202
 None
 1.00A 1icvA-3m4xA:
undetectable
1icvB-3m4xA:
undetectable		 1icvA-3m4xA:
19.49
1icvB-3m4xA:
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.
3mi6 ALPHA-GALACTOSIDASE

(Lactobacillus
brevis) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 PHE A 342
GLY A 369
SER A 380
THR A 379
 None
 1.29A 1icvA-3mi6A:
undetectable
1icvB-3mi6A:
undetectable		 1icvA-3mi6A:
15.51
1icvB-3mi6A:
15.51
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.
3mkq COATOMER
BETA'-SUBUNIT

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		4 PHE A 136
GLY A 171
SER A 154
THR A 155
 None
 1.25A 1icvA-3mkqA:
undetectable
1icvB-3mkqA:
undetectable		 1icvA-3mkqA:
15.40
1icvB-3mkqA:
15.40
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.
3mtv PAPAIN-LIKE CYSTEINE
PROTEASE

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05411
(Peptidase_C32) 		4 PHE A 150
GLY A 170
THR A  84
PHE A  60
 None
 1.00A 1icvA-3mtvA:
undetectable
1icvB-3mtvA:
undetectable		 1icvA-3mtvA:
20.89
1icvB-3mtvA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p02 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		4 PHE A 297
GLY A 219
SER A 302
THR A 301
 None
EDO  A   3 (-4.5A)
EDO  A   3 ( 4.3A)
None
 1.21A 1icvA-3p02A:
undetectable
1icvB-3p02A:
undetectable		 1icvA-3p02A:
19.25
1icvB-3p02A:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 PHE A 148
GLY A 144
SER A 123
THR A 120
 None
 1.18A 1icvA-3r2uA:
undetectable
1icvB-3r2uA:
undetectable		 1icvA-3r2uA:
19.74
1icvB-3r2uA:
19.74
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.
3tho EXONUCLEASE,
PUTATIVE

(Thermotoga
maritima) 		PF00149
(Metallophos) 		4 PHE B 181
GLY B 179
THR B 229
PHE B 177
 None
 1.26A 1icvA-3thoB:
undetectable
1icvB-3thoB:
undetectable		 1icvA-3thoB:
20.88
1icvB-3thoB:
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 PHE A  71
GLY A  69
THR A 133
PHE A 130
 None
 1.27A 1icvA-3zq4A:
undetectable
1icvB-3zq4A:
undetectable		 1icvA-3zq4A:
16.55
1icvB-3zq4A:
16.55
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLY A 132
SER A 192
THR A 188
PHE A 129
 None
 1.25A 1icvA-3zu0A:
undetectable
1icvB-3zu0A:
undetectable		 1icvA-3zu0A:
18.07
1icvB-3zu0A:
18.07
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLY A 195
SER A 192
THR A 188
PHE A 129
 None
 1.37A 1icvA-3zu0A:
undetectable
1icvB-3zu0A:
undetectable		 1icvA-3zu0A:
18.07
1icvB-3zu0A:
18.07
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 GLY A 245
SER A 634
THR A 635
PHE A  88
 None
 1.14A 1icvA-4a01A:
undetectable
1icvB-4a01A:
undetectable		 1icvA-4a01A:
14.99
1icvB-4a01A:
14.99
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.
4ak9 CPFTSY

(Physcomitrella
patens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 PHE A 377
GLY A 343
SER A 348
PHE A 126
 None
 0.94A 1icvA-4ak9A:
undetectable
1icvB-4ak9A:
undetectable		 1icvA-4ak9A:
19.75
1icvB-4ak9A:
19.75
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.
4cxh ELONGATION FACTOR 1A

(Oryctolagus
cuniculus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 PHE A  76
GLY A 252
SER A 106
THR A 103
 None
 1.40A 1icvA-4cxhA:
undetectable
1icvB-4cxhA:
undetectable		 1icvA-4cxhA:
18.92
1icvB-4cxhA:
18.92
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.
4fd2 CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 PHE A 666
SER A 662
THR A 702
PHE A 699
 None
 1.27A 1icvA-4fd2A:
undetectable
1icvB-4fd2A:
undetectable		 1icvA-4fd2A:
21.99
1icvB-4fd2A:
21.99
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLY A 123
SER A 185
THR A 181
PHE A 120
 None
 1.38A 1icvA-4h1sA:
undetectable
1icvB-4h1sA:
undetectable		 1icvA-4h1sA:
18.66
1icvB-4h1sA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ha4 BETA-GALACTOSIDASE

(Acidilobus
saccharovorans) 		PF00232
(Glyco_hydro_1) 		4 PHE A 292
GLY A 316
SER A 204
THR A 205
 None
 1.40A 1icvA-4ha4A:
undetectable
1icvB-4ha4A:
undetectable		 1icvA-4ha4A:
22.27
1icvB-4ha4A:
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.
4ivn TRANSCRIPTIONAL
REGULATOR

(Vibrio
vulnificus) 		PF01380
(SIS)
PF01418
(HTH_6) 		4 PHE A 159
GLY A 131
SER A 172
PHE A 129
 None
 1.12A 1icvA-4ivnA:
undetectable
1icvB-4ivnA:
undetectable		 1icvA-4ivnA:
21.48
1icvB-4ivnA:
21.48
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.
4j73 COATOMER SUBUNIT
BETA'

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 PHE A 136
GLY A 171
SER A 154
THR A 155
 None
 1.18A 1icvA-4j73A:
undetectable
1icvB-4j73A:
undetectable		 1icvA-4j73A:
20.92
1icvB-4j73A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 PHE A 426
GLY A 503
SER A  13
THR A  14
 CL  A 705 ( 4.7A)
None
None
None
 1.28A 1icvA-4jclA:
undetectable
1icvB-4jclA:
undetectable		 1icvA-4jclA:
16.16
1icvB-4jclA:
16.16
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.
4jde PROTEIN F15E11.13

(Caenorhabditis
elegans) 		no annotation 4 PHE A  27
GLY A  78
THR A 149
PHE A 148
 None
 1.35A 1icvA-4jdeA:
undetectable
1icvB-4jdeA:
undetectable		 1icvA-4jdeA:
20.56
1icvB-4jdeA:
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.
4mzq BETA-ALANYL-COA:AMMO
NIA LYASE

(Anaerotignum
propionicum) 		no annotation 4 PHE A  87
GLY A  34
SER A  49
PHE A  51
 None
 1.04A 1icvA-4mzqA:
undetectable
1icvB-4mzqA:
undetectable		 1icvA-4mzqA:
20.74
1icvB-4mzqA:
20.74
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.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF03512
(Glyco_hydro_52) 		4 PHE A 163
GLY A 186
SER A 171
THR A 170
 None
 1.37A 1icvA-4rhhA:
undetectable
1icvB-4rhhA:
undetectable		 1icvA-4rhhA:
15.11
1icvB-4rhhA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tsd HP1029

(Helicobacter
pylori) 		no annotation 4 PHE B  78
GLY B  76
SER B  73
PHE B 149
 None
 1.07A 1icvA-4tsdB:
undetectable
1icvB-4tsdB:
undetectable		 1icvA-4tsdB:
22.71
1icvB-4tsdB:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		4 PHE A 135
GLY A 156
SER A 151
PHE A 121
 None
 1.36A 1icvA-4u0tA:
undetectable
1icvB-4u0tA:
undetectable		 1icvA-4u0tA:
21.41
1icvB-4u0tA:
21.41
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.
4v2x ENDO-BETA-1,4-GLUCAN
ASE (CELLULASE B)

(Bacillus
halodurans) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		4 PHE A 318
GLY A 298
SER A 257
PHE A 302
 None
 1.22A 1icvA-4v2xA:
undetectable
1icvB-4v2xA:
undetectable		 1icvA-4v2xA:
17.30
1icvB-4v2xA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w8i PROBABLE
SPHINGOSINE-1-PHOSPH
ATE LYASE

(Legionella
pneumophila) 		PF00282
(Pyridoxal_deC) 		4 GLY A 296
SER A 353
THR A 352
PHE A 323
 None
 1.39A 1icvA-4w8iA:
undetectable
1icvB-4w8iA:
undetectable		 1icvA-4w8iA:
16.51
1icvB-4w8iA:
16.51
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.
4wzs SIMILARITY TO
HELICASE MOT1

(Encephalitozoon
cuniculi) 		no annotation 4 PHE C 588
GLY C 568
THR C 573
PHE C 606
 None
 1.36A 1icvA-4wzsC:
undetectable
1icvB-4wzsC:
undetectable		 1icvA-4wzsC:
14.67
1icvB-4wzsC:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 PHE A 904
GLY A1017
THR A1085
PHE A1083
 None
 1.33A 1icvA-4xqkA:
undetectable
1icvB-4xqkA:
undetectable		 1icvA-4xqkA:
8.70
1icvB-4xqkA:
8.70
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.
4yhw U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP3

(Saccharomyces
cerevisiae) 		PF06544
(DUF1115) 		4 PHE A 441
GLY A 367
SER A 460
PHE A 458
 U  E  87 ( 3.3A)
None
None
None
 1.21A 1icvA-4yhwA:
undetectable
1icvB-4yhwA:
undetectable		 1icvA-4yhwA:
18.30
1icvB-4yhwA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Oryctolagus
cuniculus) 		PF01399
(PCI) 		4 PHE A 250
SER A 294
THR A 295
PHE A 291
 None
 1.40A 1icvA-5a5tA:
undetectable
1icvB-5a5tA:
undetectable		 1icvA-5a5tA:
8.82
1icvB-5a5tA:
8.82
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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		4 PHE A  63
GLY A 125
THR A 264
PHE A 251
 None
 1.14A 1icvA-5aocA:
undetectable
1icvB-5aocA:
undetectable		 1icvA-5aocA:
21.77
1icvB-5aocA:
21.77
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.
5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Pseudoalteromonas
atlantica) 		PF03480
(DctP) 		4 PHE A 157
GLY A 154
THR A 297
PHE A 298
 None
 1.39A 1icvA-5cm6A:
undetectable
1icvB-5cm6A:
undetectable		 1icvA-5cm6A:
19.51
1icvB-5cm6A:
19.51
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.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		4 PHE A  99
GLY A 230
SER A 221
THR A 226
 None
 1.32A 1icvA-5dxxA:
undetectable
1icvB-5dxxA:
undetectable		 1icvA-5dxxA:
20.64
1icvB-5dxxA:
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.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		4 PHE A 499
GLY A 636
SER A 487
THR A 631
 None
 1.36A 1icvA-5e3cA:
undetectable
1icvB-5e3cA:
undetectable		 1icvA-5e3cA:
15.47
1icvB-5e3cA:
15.47
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.
5e5b FACT COMPLEX SUBUNIT
SPT16

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 PHE A 257
GLY A 404
THR A 272
PHE A 402
 None
 1.12A 1icvA-5e5bA:
undetectable
1icvB-5e5bA:
undetectable		 1icvA-5e5bA:
20.75
1icvB-5e5bA:
20.75
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.
5ee4 HPUA

(Kingella
denitrificans) 		PF16960
(HpuA) 		4 PHE A 265
GLY A 263
THR A 287
PHE A  42
 None
 1.19A 1icvA-5ee4A:
undetectable
1icvB-5ee4A:
undetectable		 1icvA-5ee4A:
22.29
1icvB-5ee4A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 4 PHE Y 337
GLY Y 349
SER Y 385
PHE Y 382
 None
 1.21A 1icvA-5gaiY:
undetectable
1icvB-5gaiY:
undetectable		 1icvA-5gaiY:
15.12
1icvB-5gaiY:
15.12
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 PHE A 541
GLY A 494
SER A 447
THR A 448
 None
 0.87A 1icvA-5jm0A:
undetectable
1icvB-5jm0A:
undetectable		 1icvA-5jm0A:
11.71
1icvB-5jm0A:
11.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		4 PHE A 187
GLY A 189
SER A 164
PHE A  72
 None
 1.34A 1icvA-5kqiA:
undetectable
1icvB-5kqiA:
undetectable		 1icvA-5kqiA:
14.13
1icvB-5kqiA:
14.13
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.
5l20 CLOSTRIPAIN-RELATED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03415
(Peptidase_C11) 		4 PHE B 259
GLY B 271
SER B 230
THR B 229
 None
 1.08A 1icvA-5l20B:
undetectable
1icvB-5l20B:
undetectable		 1icvA-5l20B:
21.12
1icvB-5l20B:
21.12
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 PHE A 145
GLY A 140
THR A 217
PHE A 173
 None
 1.28A 1icvA-5m7rA:
undetectable
1icvB-5m7rA:
undetectable		 1icvA-5m7rA:
13.19
1icvB-5m7rA:
13.19
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.
5nrm DOCCEL5: TYPE I
DOCKERIN REPEAT
DOMAIN FROM A.
CELLULOLYTICUS
FAMILY 5
ENDOGLUCANASE
WP_010249057 S51I,
L52N MUTANT
ENDOGLUCANASE

(Acetivibrio
cellulolyticus) 		no annotation 4 PHE A  95
SER B  16
THR A  35
PHE A 122
 None
 1.08A 1icvA-5nrmA:
undetectable
1icvB-5nrmA:
undetectable		 1icvA-5nrmA:
18.05
1icvB-5nrmA:
18.05
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.
5tem 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Vibrio
vulnificus) 		no annotation 4 PHE C 239
GLY C 214
SER C 164
THR C 166
 NAD  C1001 ( 4.0A)
None
PDC  C1002 (-4.2A)
PDC  C1002 (-3.7A)
 1.31A 1icvA-5temC:
undetectable
1icvB-5temC:
undetectable		 1icvA-5temC:
24.38
1icvB-5temC:
24.38
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.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		4 PHE A 145
GLY A 140
THR A 217
PHE A 173
 None
 1.33A 1icvA-5uhkA:
undetectable
1icvB-5uhkA:
undetectable		 1icvA-5uhkA:
20.98
1icvB-5uhkA:
20.98
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.
5uhp O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		4 PHE A 145
GLY A 140
THR A 217
PHE A 173
 None
 1.38A 1icvA-5uhpA:
undetectable
1icvB-5uhpA:
undetectable		 1icvA-5uhpA:
20.05
1icvB-5uhpA:
20.05
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 PHE A 145
GLY A 140
THR A 217
PHE A 173
 None
 1.32A 1icvA-5vvoA:
undetectable
1icvB-5vvoA:
undetectable		 1icvA-5vvoA:
17.55
1icvB-5vvoA:
17.55
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 4 GLY A 552
SER A 549
THR A 568
PHE A 551
 None
 1.38A 1icvA-5wugA:
undetectable
1icvB-5wugA:
undetectable		 1icvA-5wugA:
17.51
1icvB-5wugA:
17.51
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.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 4 GLY A 384
SER A 381
THR A 380
PHE A 379
 None
 1.15A 1icvA-5z2gA:
undetectable
1icvB-5z2gA:
undetectable		 1icvA-5z2gA:
20.69
1icvB-5z2gA:
20.69
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.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 4 PHE A 264
GLY A 294
SER A 192
THR A 190
 None
 1.36A 1icvA-6b5fA:
undetectable
1icvB-6b5fA:
undetectable		 1icvA-6b5fA:
21.73
1icvB-6b5fA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f0k ACTF
POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 4 PHE C 342
GLY C 261
THR F 228
PHE C 267
 None
 1.19A 1icvA-6f0kC:
undetectable
1icvB-6f0kC:
undetectable		 1icvA-6f0kC:
21.56
1icvB-6f0kC:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 4 PHE A 944
GLY A 934
THR A 984
PHE A 988
 None
 1.29A 1icvA-6fikA:
undetectable
1icvB-6fikA:
undetectable		 1icvA-6fikA:
16.74
1icvB-6fikA:
16.74
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 4 PHE A 156
GLY A  72
THR A 163
PHE A  81
 None
 1.31A 1icvA-6fm7A:
undetectable
1icvB-6fm7A:
undetectable		 1icvA-6fm7A:
16.36
1icvB-6fm7A:
16.36