SIMILAR PATTERNS OF AMINO ACIDS FOR 2IGT_C_SAMC1003

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.
1a0f GLUTATHIONE
S-TRANSFERASE

(Escherichia
coli) 		PF00043
(GST_C)
PF13409
(GST_N_2) 		5 HIS A 106
TYR A 157
SER A  14
ALA A  13
ALA A  74
 GTS  A 203 (-3.9A)
None
None
None
None
 1.19A 2igtC-1a0fA:
undetectable		 2igtC-1a0fA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dlm CATECHOL
1,2-DIOXYGENASE

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 PHE A 228
ALA A 254
PRO A 108
GLY A  77
TYR A 110
 None
 1.20A 2igtC-1dlmA:
undetectable		 2igtC-1dlmA:
22.16
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.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 ALA A  58
SER A  57
ALA A  53
ALA A  47
GLY A  49
 None
 1.31A 2igtC-1esoA:
undetectable		 2igtC-1esoA:
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.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		5 PHE A 174
PHE A 146
TYR A 143
ALA A  47
TYR A 140
 None
None
None
NEA  A 500 (-3.1A)
None
 1.31A 2igtC-1g38A:
10.0		 2igtC-1g38A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h54 MALTOSE
PHOSPHORYLASE

(Lactobacillus
brevis) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ALA A 681
ALA A 655
ALA A 647
PRO A 703
GLY A 685
 None
 1.23A 2igtC-1h54A:
undetectable		 2igtC-1h54A:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		5 HIS A  59
ALA A 104
ALA A  31
GLY A 197
TRP A  41
 None
 1.18A 2igtC-1hylA:
undetectable		 2igtC-1hylA:
20.17
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.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I

(Salmonella
enterica) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 HIS A 515
SER A 276
ALA A 279
ALA A 478
GLY A 476
 None
 1.12A 2igtC-1i1qA:
undetectable		 2igtC-1i1qA:
23.84
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.
1lbu MURAMOYL-PENTAPEPTID
E CARBOXYPEPTIDASE

(Streptomyces
albus) 		PF01471
(PG_binding_1)
PF08291
(Peptidase_M15_3) 		5 ALA A 171
ALA A 176
PRO A 187
GLY A 168
TYR A 189
 None
 1.27A 2igtC-1lbuA:
undetectable		 2igtC-1lbuA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrk UDP-GLUCOSE
4-EPIMERASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 TYR A 128
ALA A 125
ALA A 298
PRO A 135
GLY A 266
 None
 1.20A 2igtC-1lrkA:
6.8		 2igtC-1lrkA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m7h ADENYLYLSULFATE
KINASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase) 		5 PHE A 133
ALA A  91
ALA A  95
ALA A 116
TYR A 199
 None
 1.26A 2igtC-1m7hA:
undetectable		 2igtC-1m7hA:
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.
1n8p CYSTATHIONINE
GAMMA-LYASE

(Saccharomyces
cerevisiae) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  15
ALA A  70
PRO A 184
GLY A  73
TYR A 185
 None
 0.94A 2igtC-1n8pA:
3.7		 2igtC-1n8pA:
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.
1o94 ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA-SUBUNIT

(Methylophilus
methylotrophus) 		PF01012
(ETF) 		5 HIS D  86
PHE D  75
ALA D 176
ALA D  81
GLY D  65
 None
 1.31A 2igtC-1o94D:
2.3		 2igtC-1o94D:
23.48
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.
1ope SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Sus scrofa) 		PF01144
(CoA_trans) 		5 PHE A 184
ALA A 188
SER A 187
ALA A 173
GLY A  29
 None
 1.30A 2igtC-1opeA:
2.9		 2igtC-1opeA:
18.72
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.
1r3n BETA-ALANINE
SYNTHASE

(Lachancea
kluyveri) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 222
PHE A  97
PHE A 157
ALA A  65
GLY A 161
 None
 1.09A 2igtC-1r3nA:
undetectable		 2igtC-1r3nA:
21.38
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  21
PHE A  82
PHE A 294
ALA A 334
PRO A  28
 None
 1.29A 2igtC-1rqgA:
undetectable		 2igtC-1rqgA:
19.95
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA A 532
SER A 533
ALA A 489
PRO A 515
GLY A 596
 None
 1.09A 2igtC-1sb3A:
undetectable		 2igtC-1sb3A:
19.48
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.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		5 TYR A 158
ALA A  35
SER A  38
ALA A  49
PRO A  27
 None
 1.25A 2igtC-1urjA:
undetectable		 2igtC-1urjA:
14.73
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.
1wxx HYPOTHETICAL PROTEIN
TTHA1280

(Thermus
thermophilus) 		PF10672
(Methyltrans_SAM) 		5 PHE A 217
SER A 240
ALA A 243
ALA A 266
PRO A 288
 None
 0.45A 2igtC-1wxxA:
21.0		 2igtC-1wxxA:
24.13
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.
1xg2 PECTINESTERASE 1
PECTINESTERASE
INHIBITOR

(Solanum
lycopersicum;
Actinidia
chinensis) 		PF01095
(Pectinesterase)
PF04043
(PMEI) 		5 PHE B  91
TYR B 103
ALA A 159
SER A 138
ALA B 106
 None
 1.15A 2igtC-1xg2B:
undetectable		 2igtC-1xg2B:
17.87
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.
1xv2 HYPOTHETICAL
PROTEIN, SIMILAR TO
ALPHA-ACETOLACTATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF03306
(AAL_decarboxy) 		5 HIS A 208
TYR A   6
ALA A  53
GLY A  67
TYR A  73
 None
 1.14A 2igtC-1xv2A:
undetectable		 2igtC-1xv2A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zlr COAGULATION FACTOR
XI

(Homo sapiens) 		PF00089
(Trypsin) 		5 PHE A  59
TYR A  59
ALA A  55
ALA A 104
GLY A 196
 None
 1.21A 2igtC-1zlrA:
undetectable		 2igtC-1zlrA:
19.94
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.
2a1l PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
BETA ISOFORM

(Rattus
norvegicus) 		PF02121
(IP_trans) 		5 PHE A 229
ALA A 144
PRO A  12
GLY A 174
TYR A  18
 None
 1.25A 2igtC-2a1lA:
undetectable		 2igtC-2a1lA:
24.45
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.
2as0 HYPOTHETICAL PROTEIN
PH1915

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF10672
(Methyltrans_SAM) 		6 PHE A 201
PHE A 225
TYR A 227
ALA A 252
ALA A 276
PRO A 298
 None
 1.01A 2igtC-2as0A:
22.2		 2igtC-2as0A:
26.30
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.
2as0 HYPOTHETICAL PROTEIN
PH1915

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF10672
(Methyltrans_SAM) 		5 PHE A 225
SER A 249
ALA A 252
ALA A 276
PRO A 298
 None
 0.63A 2igtC-2as0A:
22.2		 2igtC-2as0A:
26.30
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.
2azq CATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 PHE A 224
ALA A 250
PRO A 107
GLY A  76
TYR A 109
 None
 1.12A 2igtC-2azqA:
undetectable		 2igtC-2azqA:
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA

(Escherichia
coli) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 PHE A1092
ALA A1256
ALA A1176
ALA A1263
PRO A1259
 None
 1.31A 2igtC-2bruA:
5.8		 2igtC-2bruA:
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.
2dh3 4F2 CELL-SURFACE
ANTIGEN HEAVY CHAIN

(Homo sapiens) 		PF00128
(Alpha-amylase) 		5 TYR A 452
ALA A 445
ALA A 442
ALA A 475
GLY A 446
 None
 1.15A 2igtC-2dh3A:
undetectable		 2igtC-2dh3A:
21.71
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.
2fef HYPOTHETICAL PROTEIN
PA2201

(Pseudomonas
aeruginosa) 		PF08929
(DUF1911) 		5 PHE A 148
ALA A  80
ALA A 108
GLY A  77
TYR A 146
 None
 1.29A 2igtC-2fefA:
undetectable		 2igtC-2fefA:
23.28
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 283
SER A 281
ALA A 318
ALA A 405
TYR A 300
 None
 1.19A 2igtC-2gqdA:
undetectable		 2igtC-2gqdA:
22.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		6 HIS A 109
PHE A 140
TYR A 142
ALA A 162
ALA A 191
GLY A 218
 FMT  A1013 (-4.1A)
SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
SAM  A1001 (-3.5A)
SAM  A1001 (-3.6A)
SAM  A1001 (-3.7A)
 1.39A 2igtC-2igtA:
51.6		 2igtC-2igtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		11 PHE A 113
PHE A 140
TYR A 142
ALA A 162
SER A 163
ALA A 166
ALA A 191
PRO A 213
GLY A 218
TRP A 224
TYR A 253
 FMT  A1013 ( 3.5A)
SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
SAM  A1001 (-3.5A)
ACY  A1008 ( 2.6A)
SAM  A1001 ( 3.9A)
SAM  A1001 (-3.6A)
SAM  A1001 (-3.2A)
SAM  A1001 (-3.7A)
None
SAM  A1001 (-4.7A)
 0.08A 2igtC-2igtA:
51.6		 2igtC-2igtA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 PHE A 733
TYR A 308
SER A 301
ALA A 304
ALA A 200
 None
 1.25A 2igtC-2pi5A:
undetectable		 2igtC-2pi5A:
17.18
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.
2q74 INOSITOL-1-MONOPHOSP
HATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		5 ALA A 147
SER A 146
ALA A 135
PRO A   8
GLY A 152
 None
 1.29A 2igtC-2q74A:
undetectable		 2igtC-2q74A:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rfb CYTOCHROME P450

(Picrophilus
torridus) 		PF00067
(p450) 		5 ALA A 108
ALA A 310
PRO A 240
GLY A 198
TYR A 238
 None
HEM  A 410 ( 3.7A)
HEM  A 410 ( 4.2A)
HEM  A 410 (-3.1A)
None
 0.95A 2igtC-2rfbA:
undetectable		 2igtC-2rfbA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TYR A 260
SER A 165
ALA A 401
ALA A 344
GLY A 340
 None
 1.16A 2igtC-2rjtA:
undetectable		 2igtC-2rjtA:
24.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wda PUTATIVE SECRETED
LYASE

(Streptomyces
violaceoruber) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 ALA A 693
SER A 694
ALA A 502
PRO A 751
GLY A 692
 None
 1.19A 2igtC-2wdaA:
undetectable		 2igtC-2wdaA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wqk 5'-NUCLEOTIDASE SURE

(Aquifex
aeolicus) 		PF01975
(SurE) 		5 PHE A 135
ALA A  23
ALA A 127
PRO A  15
GLY A  92
 None
 1.30A 2igtC-2wqkA:
3.0		 2igtC-2wqkA:
21.11
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.
2wzf GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		5 PHE A 239
ALA A 452
SER A 448
ALA A 456
GLY A 451
 None
None
BGC  A1526 ( 4.9A)
None
None
 1.23A 2igtC-2wzfA:
undetectable		 2igtC-2wzfA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzg GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		5 PHE A 239
ALA A 452
SER A 448
ALA A 456
GLY A 451
 None
None
UPG  A1525 ( 4.9A)
None
None
 1.23A 2igtC-2wzgA:
undetectable		 2igtC-2wzgA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 PHE A 223
ALA A 249
PRO A 104
GLY A  73
TYR A 106
 None
 1.13A 2igtC-2xsrA:
undetectable		 2igtC-2xsrA:
23.86
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.
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix) 		PF00579
(tRNA-synt_1b) 		5 PHE A 159
PHE A 150
ALA A 124
ALA A 128
PRO A 370
 None
 1.19A 2igtC-3a05A:
2.3		 2igtC-3a05A:
21.57
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 PHE A  64
ALA A  65
SER A  61
ALA A  14
GLY A  66
 None
 1.27A 2igtC-3a2qA:
undetectable		 2igtC-3a2qA:
23.67
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.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A  63
SER A  64
ALA A 165
ALA A  94
TYR A  50
 None
 1.08A 2igtC-3a9vA:
undetectable		 2igtC-3a9vA:
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.
3bb8 CDP-4-KETO-6-DEOXY-D
-GLUCOSE-3-DEHYDRASE

(Yersinia
pseudotuberculosis) 		PF01041
(DegT_DnrJ_EryC1) 		5 PHE A 216
TYR A 217
ALA A  89
SER A  87
ALA A 229
 None
PLP  A 500 ( 4.7A)
None
PLP  A 500 (-2.5A)
None
 1.21A 2igtC-3bb8A:
3.0		 2igtC-3bb8A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		5 ALA A  19
SER A  20
ALA A  10
PRO A 138
GLY A  14
 None
 1.13A 2igtC-3bczA:
2.3		 2igtC-3bczA:
18.81
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.
3goh ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Shewanella
oneidensis) 		PF08240
(ADH_N) 		5 PHE A  97
ALA A 152
ALA A 122
PRO A  42
GLY A 151
 None
 1.27A 2igtC-3gohA:
6.6		 2igtC-3gohA:
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.
3gzj POLYNEURIDINE-ALDEHY
DE ESTERASE

(Rauvolfia
serpentina) 		PF00561
(Abhydrolase_1) 		5 TYR A 128
ALA A 112
SER A  87
PRO A 124
GLY A  90
 EVS  A1000 (-3.7A)
None
EVS  A1000 (-1.4A)
None
None
 1.26A 2igtC-3gzjA:
2.4		 2igtC-3gzjA:
21.17
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.
3h9p PUTATIVE
TRIPHOSPHORIBOSYL-DE
PHOSPHO-COA SYNTHASE

(Archaeoglobus
fulgidus) 		PF01874
(CitG) 		5 PHE A  43
PHE A  85
ALA A  50
ALA A 128
GLY A  64
 None
 1.08A 2igtC-3h9pA:
undetectable		 2igtC-3h9pA:
25.22
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 PHE 3 740
ALA 3 762
SER 3 761
ALA 3 714
ALA 3 766
 None
 1.18A 2igtC-3i9v3:
2.4		 2igtC-3i9v3:
19.36
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.
3iau THREONINE DEAMINASE

(Solanum
lycopersicum) 		PF00291
(PALP) 		5 ALA A 319
ALA A 301
ALA A 321
PRO A 243
GLY A 318
 None
None
None
None
LLP  A  91 ( 4.4A)
 1.23A 2igtC-3iauA:
3.2		 2igtC-3iauA:
23.54
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.
3jvd TRANSCRIPTIONAL
REGULATORS

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		5 HIS A 325
ALA A 205
ALA A 234
ALA A 199
GLY A 204
 None
 1.22A 2igtC-3jvdA:
4.4		 2igtC-3jvdA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ml0 PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		5 PHE B 455
ALA B  67
ALA B  69
PRO B  49
GLY B  66
 None
 1.31A 2igtC-3ml0B:
undetectable		 2igtC-3ml0B:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ALA A 225
SER A 226
ALA A 233
ALA B 187
PRO B 279
 SRM  B 570 ( 4.0A)
None
None
None
None
 1.20A 2igtC-3mm5A:
undetectable		 2igtC-3mm5A:
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 233
SER A 335
ALA A 339
GLY A  50
TYR A 223
 None
 1.08A 2igtC-3oytA:
undetectable		 2igtC-3oytA:
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.
3qef BETA-XYLOSIDASE/ALPH
A-L-ARABINFURANOSIDA
SE, GLY43N

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		5 PHE A 129
ALA A  98
ALA A 150
GLY A 100
TRP A 103
 None
None
None
None
EDO  A 336 (-3.5A)
 1.25A 2igtC-3qefA:
undetectable		 2igtC-3qefA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 PHE A 127
TYR A 126
ALA A   7
PRO A 128
GLY A  97
 None
None
NDP  A1001 ( 4.1A)
None
NDP  A1001 ( 3.8A)
 1.21A 2igtC-3tq9A:
undetectable		 2igtC-3tq9A:
18.29
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.
3tw0 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		5 HIS A 381
ALA A 353
SER A 231
GLY A 439
TYR A 519
 None
ACT  A 702 (-4.4A)
MG  A 701 ( 1.9A)
ACT  A 702 (-4.1A)
None
 1.13A 2igtC-3tw0A:
2.4		 2igtC-3tw0A:
21.19
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 PHE A 523
PHE A 546
TYR A 548
SER A 570
PRO A 617
 None
SAM  A 802 (-4.5A)
SAM  A 802 (-4.7A)
None
SAM  A 802 ( 4.6A)
 0.73A 2igtC-3v8vA:
22.3		 2igtC-3v8vA:
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.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 114
ALA A 140
ALA A 157
PRO A  63
GLY A 115
 None
 1.27A 2igtC-3zz1A:
3.7		 2igtC-3zz1A:
18.22
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 PHE A 462
ALA A 494
ALA A 614
ALA A 451
GLY A 495
 None
 1.03A 2igtC-4a7kA:
undetectable		 2igtC-4a7kA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 TYR A 282
ALA A 299
ALA A 303
ALA A 381
GLY A 295
 None
 1.29A 2igtC-4c2kA:
undetectable		 2igtC-4c2kA:
25.99
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.
4c89 ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		5 PHE A 156
TYR A 158
ALA A  80
ALA A 183
GLY A 148
 None
 1.27A 2igtC-4c89A:
3.1		 2igtC-4c89A:
25.00
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 TYR A 300
ALA A 294
SER A 295
GLY A 290
TRP A 458
 None
 1.00A 2igtC-4f7aA:
undetectable		 2igtC-4f7aA:
18.95
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.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A  91
SER A  67
ALA A 115
ALA A  85
GLY A  90
 None
 1.20A 2igtC-4isbA:
3.2		 2igtC-4isbA:
22.41
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 HIS A 920
ALA A 818
ALA A 875
GLY A 819
TYR A 865
 None
 1.30A 2igtC-4j3bA:
undetectable		 2igtC-4j3bA:
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.
4kg7 PEPTIDASE S8 AND
S53, SUBTILISIN,
KEXIN, SEDOLISIN

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 TYR A 346
ALA A 235
SER A 201
ALA A 345
GLY A 237
 None
 1.23A 2igtC-4kg7A:
2.3		 2igtC-4kg7A:
24.51
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.
4kna N-SUCCINYLGLUTAMATE
5-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 PHE A 443
ALA A 437
SER A 438
ALA A 440
GLY A 436
 None
 1.26A 2igtC-4knaA:
3.4		 2igtC-4knaA:
24.41
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 PHE A 329
PHE A 324
SER A 116
ALA A 312
GLY A 319
 AG8  A 901 (-3.7A)
None
None
None
None
 1.30A 2igtC-4lixA:
undetectable		 2igtC-4lixA:
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.
4lsu HEAVY CHAIN OF
ANTIBODY VRC-PG20
LIGHT CHAIN OF
ANTIBODY VRC-PG20

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 100
ALA L  26
SER L  27
ALA L  71
GLY L  25
 None
 1.16A 2igtC-4lsuH:
undetectable		 2igtC-4lsuH:
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.
4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
ALPHA-3

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		5 SER A 485
ALA A 531
ALA A 604
GLY A 576
TYR A 523
 None
EDO  A 702 (-3.5A)
None
None
None
 1.18A 2igtC-4ni2A:
undetectable		 2igtC-4ni2A:
19.71
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.
4o7i 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE,
PUTATIVE

(Entamoeba
histolytica) 		PF00459
(Inositol_P) 		5 HIS A 258
PHE A 282
ALA A 235
ALA A 296
ALA A 168
 None
 1.24A 2igtC-4o7iA:
undetectable		 2igtC-4o7iA:
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.
4q6x PHOSPHOLIPASE D
STSICTOX-BETAIC1

(Sicarius
terrosus) 		no annotation 5 PHE A 166
PHE A 145
ALA A 107
ALA A 102
ALA A 110
 None
 1.23A 2igtC-4q6xA:
2.2		 2igtC-4q6xA:
24.44
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 HIS A 255
PHE A  53
TYR A 539
ALA A 544
PRO A 146
 None
 1.23A 2igtC-4r1dA:
undetectable		 2igtC-4r1dA:
21.70
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.
4s0v HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 PHE A1121
TYR A1120
SER A1141
ALA A1160
GLY A1145
 None
 1.27A 2igtC-4s0vA:
undetectable		 2igtC-4s0vA:
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.
4tkx LYS-GINGIPAIN W83

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		5 PHE L 489
TYR L 484
ALA L 480
GLY L 506
TRP L 450
 None
 1.23A 2igtC-4tkxL:
3.1		 2igtC-4tkxL:
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.
4u9c LACTOFERRIN-BINDING
PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		5 TYR A 188
ALA A 234
ALA A 340
GLY A 184
TYR A 221
 None
 1.13A 2igtC-4u9cA:
undetectable		 2igtC-4u9cA:
23.00
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.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		5 ALA A  45
SER A  43
ALA A 160
GLY A 307
TYR A 177
 FAD  A 401 ( 4.5A)
FAD  A 401 (-2.3A)
None
FAD  A 401 ( 4.1A)
None
 1.22A 2igtC-4yshA:
3.4		 2igtC-4yshA:
23.84
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.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 PHE A 475
TYR A 465
ALA A 461
ALA A 280
GLY A 370
 None
 1.21A 2igtC-4zi6A:
2.3		 2igtC-4zi6A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5agt LEUCINE--TRNA LIGASE

(Mycobacterium
tuberculosis) 		PF13603
(tRNA-synt_1_2) 		5 PHE A 318
PHE A 426
ALA A 454
PRO A 424
GLY A 458
 None
None
None
GOL  A1515 ( 4.9A)
None
 1.21A 2igtC-5agtA:
undetectable		 2igtC-5agtA:
24.56
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF02775
(TPP_enzyme_C)
PF12367
(PFO_beta_C) 		5 ALA B 165
ALA B 189
PRO B 224
GLY B 253
TRP B 222
 None
 1.08A 2igtC-5b47B:
4.1		 2igtC-5b47B:
22.16
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.
5b4w PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		5 PHE A 324
ALA A 267
ALA A 394
GLY A 271
TYR A 229
 None
 1.30A 2igtC-5b4wA:
undetectable		 2igtC-5b4wA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5civ SIBLING BACTERIOCIN

(Paenibacillus
dendritiformis) 		PF08020
(DUF1706) 		5 PHE A 170
TYR A  63
ALA A 105
SER A 102
ALA A 108
 None
 1.21A 2igtC-5civA:
undetectable		 2igtC-5civA:
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.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 PHE A  76
TYR A  99
ALA A 238
ALA A 236
GLY A 194
 None
 1.26A 2igtC-5e6kA:
undetectable		 2igtC-5e6kA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 PHE A  76
TYR A  99
ALA A 238
ALA A 236
GLY A 194
 None
 1.27A 2igtC-5enyA:
undetectable		 2igtC-5enyA:
19.19
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.
5eod COAGULATION FACTOR
XI

(Homo sapiens) 		PF00024
(PAN_1)
PF00089
(Trypsin) 		5 PHE A 415
TYR A 416
ALA A 411
ALA A 464
GLY A 558
 None
 1.19A 2igtC-5eodA:
undetectable		 2igtC-5eodA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gm3 ENDOGLUCANASE-1

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		5 ALA A 209
PRO A 203
GLY A 207
TRP A  53
TYR A  63
 None
 1.27A 2igtC-5gm3A:
undetectable		 2igtC-5gm3A:
19.48
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.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 ALA B 915
SER B 866
ALA B 884
ALA B 926
GLY B 924
 None
 1.15A 2igtC-5jpnB:
undetectable		 2igtC-5jpnB:
17.92
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.
5jtw COMPLEMENT C4-A

(Homo sapiens) 		PF00207
(A2M)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 ALA B 915
SER B 866
ALA B 884
ALA B 926
GLY B 924
 None
 1.13A 2igtC-5jtwB:
undetectable		 2igtC-5jtwB:
18.99
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.
5kxj L-ASPARTATE OXIDASE

(Salmonella
enterica) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ALA A 207
SER A 208
ALA A 350
ALA A 497
GLY A 222
 None
 1.22A 2igtC-5kxjA:
undetectable		 2igtC-5kxjA:
21.05
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.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 PHE A 432
TYR A 386
ALA A 389
ALA A  86
GLY A  30
 None
 1.08A 2igtC-5kznA:
2.6		 2igtC-5kznA:
20.80
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 TYR C  55
ALA C 348
SER C 349
GLY C 212
TYR C  63
 None
None
13X  C 500 (-4.2A)
None
None
 1.27A 2igtC-5mg5C:
undetectable		 2igtC-5mg5C:
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 ALA A 684
SER A 685
ALA A 687
ALA A 678
GLY A 683
 None
 1.26A 2igtC-5mswA:
5.4		 2igtC-5mswA:
15.25
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.
5ngj TAIL TUBE PROTEIN

(Escherichia
virus T5) 		no annotation 5 PHE A 353
TYR A  79
ALA A 310
GLY A 165
TYR A  92
 None
 1.21A 2igtC-5ngjA:
undetectable		 2igtC-5ngjA:
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.
5td3 CATECHOL
1,2-DIOXYGENASE

(Burkholderia
vietnamiensis) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 PHE A 239
ALA A 265
PRO A 119
GLY A  88
TYR A 121
 None
 1.13A 2igtC-5td3A:
undetectable		 2igtC-5td3A:
25.88
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.
5umh CATECHOL
1,2-DIOXYGENASE

(Burkholderia
multivorans) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 PHE A 228
ALA A 254
PRO A 108
GLY A  77
TYR A 110
 None
None
EDO  A 402 (-4.4A)
None
None
 1.12A 2igtC-5umhA:
undetectable		 2igtC-5umhA:
23.47
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		5 PHE A  57
TYR A  53
SER A 259
ALA A 211
GLY A 209
 None
 1.12A 2igtC-5w70A:
2.9		 2igtC-5w70A:
26.32
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.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 5 PHE A 228
ALA A 204
SER A 203
ALA A  73
GLY A 209
 None
None
C6P  A 502 (-2.4A)
C6P  A 502 (-3.8A)
None
 1.14A 2igtC-5wt4A:
3.6		 2igtC-5wt4A:
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.
5y0m -

(-) 		no annotation 5 TYR A 146
ALA A 185
SER A 186
GLY A 182
TYR A 112
 GOL  A1006 ( 4.8A)
None
CL  A1008 ( 4.5A)
None
None
 1.24A 2igtC-5y0mA:
undetectable		 2igtC-5y0mA:
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.
6c08 ANTIBODY FAB HEAVY
CHAIN

(Mus musculus) 		no annotation 5 PHE A  70
ALA A  92
ALA A  90
GLY A  40
TYR A  60
 None
 1.01A 2igtC-6c08A:
undetectable		 2igtC-6c08A:
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.
6gnf -

(-) 		no annotation 5 HIS A  81
PHE A  45
TYR A  14
ALA A  12
PRO A  43
 None
 1.20A 2igtC-6gnfA:
2.8		 2igtC-6gnfA:
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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		4 ASP A 168
ASP A 121
ASP A  81
GLY A 152
 None
 1.20A 2igtC-1cu1A:
3.4		 2igtC-1cu1A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f8w NADH PEROXIDASE

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ASP A 182
ASP A 179
ASP A 195
GLY A 186
 None
 1.49A 2igtC-1f8wA:
3.6		 2igtC-1f8wA:
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.
1gcy GLUCAN
1,4-ALPHA-MALTOTETRA
HYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		4 ASP A 291
ASP A 334
ASP A 294
GLY A 303
 None
 1.03A 2igtC-1gcyA:
undetectable		 2igtC-1gcyA:
22.38
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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		4 ASP A 252
ASP A 243
ASP A 515
GLY A 539
 None
 1.42A 2igtC-1iduA:
undetectable		 2igtC-1iduA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmz AMINE DEHYDROGENASE
AMINE DEHYDROGENASE

(Pseudomonas
putida;
Pseudomonas
putida) 		no annotation
PF08992
(QH-AmDH_gamma) 		4 ASP B 338
ASP B 317
ASP G  33
GLY B 312
 None
None
PND  G 101 (-3.1A)
None
 1.29A 2igtC-1jmzB:
undetectable		 2igtC-1jmzB:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Haemophilus
influenzae) 		PF02542
(YgbB) 		4 ASP A   9
ASP A  57
ASP A  37
GLY A  31
 CO  A 201 (-2.5A)
None
None
None
 1.39A 2igtC-1jn1A:
undetectable		 2igtC-1jn1A:
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		4 ASP A1028
ASP A1030
ASP A 968
GLY A 984
 None
 1.36A 2igtC-1k32A:
undetectable		 2igtC-1k32A:
15.52
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 ASP A 131
ASP A 124
ASP A  83
GLY A  89
 None
 1.20A 2igtC-1p2fA:
4.3		 2igtC-1p2fA:
20.47
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.
1pwo PHOSPHOLIPASE A2

(Micropechis
ikaheca) 		PF00068
(Phospholip_A2_1) 		4 ASP A  42
ASP A  49
ASP A  24
GLY A  33
 None
 1.11A 2igtC-1pwoA:
undetectable		 2igtC-1pwoA:
17.41
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.
1s7h YKOF

(Bacillus
subtilis) 		PF07615
(Ykof) 		4 ASP A 100
ASP A  56
ASP A  36
GLY A  53
 None
 1.46A 2igtC-1s7hA:
undetectable		 2igtC-1s7hA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6m GALACTOSE-BINDING
LECTIN

(Arachis
hypogaea) 		PF00139
(Lectin_legB) 		4 ASP A 132
ASP A 136
ASP A 141
GLY A  84
 MN  A1238 ( 2.9A)
None
None
None
 1.40A 2igtC-1v6mA:
undetectable		 2igtC-1v6mA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 ASP A 136
ASP A 252
ASP A 108
GLY A 375
 KPA  A 500 (-4.7A)
SO4  A 501 (-4.9A)
None
None
 1.39A 2igtC-1vb3A:
2.2		 2igtC-1vb3A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		4 ASP A  13
ASP A  32
ASP A  99
GLY A 103
 None
None
SO4  A 905 ( 4.4A)
None
 1.43A 2igtC-1wkrA:
undetectable		 2igtC-1wkrA:
18.77
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.
1xzw PURPLE ACID
PHOSPHATASE

(Ipomoea batatas) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 ASP A   8
ASP A 140
ASP A   6
GLY A 366
 None
 0.93A 2igtC-1xzwA:
undetectable		 2igtC-1xzwA:
20.32
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		4 ASP A 268
ASP A 265
ASP A 213
GLY A  33
 None
 1.41A 2igtC-1y7wA:
undetectable		 2igtC-1y7wA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zbr CONSERVED
HYPOTHETICAL PROTEIN

(Porphyromonas
gingivalis) 		PF04371
(PAD_porph) 		4 ASP A  87
ASP A  82
ASP A 206
GLY A 326
 None
 1.48A 2igtC-1zbrA:
undetectable		 2igtC-1zbrA:
21.89
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.
2b81 LUCIFERASE-LIKE
MONOOXYGENASE

(Bacillus cereus) 		PF00296
(Bac_luciferase) 		4 ASP A 135
ASP A  62
ASP A  67
GLY A  76
 None
 1.19A 2igtC-2b81A:
undetectable		 2igtC-2b81A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		4 ASP A 180
ASP A 141
ASP A 186
GLY A 217
 None
 1.19A 2igtC-2cdqA:
2.8		 2igtC-2cdqA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		4 ASP A 394
ASP A 361
ASP A  35
GLY A 365
 None
None
ZN  A 700 ( 3.0A)
None
 1.33A 2igtC-2e0pA:
undetectable		 2igtC-2e0pA:
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 ASP A  26
ASP A  36
ASP A  28
GLY A  23
 None
 1.00A 2igtC-2e3zA:
undetectable		 2igtC-2e3zA:
22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		4 ASP A 161
ASP A 190
ASP A 211
GLY A 216
 SAM  A1001 (-2.9A)
SAM  A1001 (-3.7A)
SAM  A1001 (-2.8A)
SAM  A1001 (-3.5A)
 0.07A 2igtC-2igtA:
51.6		 2igtC-2igtA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o04 PECTATE LYASE

(Bacillus
subtilis) 		PF00544
(Pec_lyase_C) 		4 ASP A 161
ASP A  63
ASP A 164
GLY A  74
 None
 1.37A 2igtC-2o04A:
undetectable		 2igtC-2o04A:
19.00
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.
2p35 TRANS-ACONITATE
2-METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13489
(Methyltransf_23) 		4 ASP A  50
ASP A  36
ASP A  13
GLY A  42
 None
SAH  A 301 ( 4.4A)
None
None
 1.34A 2igtC-2p35A:
13.2		 2igtC-2p35A:
23.46
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 ASP A  44
ASP A  47
ASP A 413
GLY A 409
 None
 1.47A 2igtC-2pajA:
undetectable		 2igtC-2pajA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qv6 GTP CYCLOHYDROLASE
III

(Methanocaldococcus
jannaschii) 		PF05165
(GCH_III) 		4 ASP A  10
ASP A  55
ASP A 113
GLY A  13
 None
 1.41A 2igtC-2qv6A:
undetectable		 2igtC-2qv6A:
19.71
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.
2uw1 PLASTID DELTA4
MULTIFUNCTIONAL
ACYL-ACYL CARRIER
PROTEIN DESATURASE

(Hedera helix) 		PF03405
(FA_desaturase_2) 		4 ASP B 353
ASP B 270
ASP B 156
GLY B 268
 None
 1.27A 2igtC-2uw1B:
undetectable		 2igtC-2uw1B:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wbi ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 11

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ASP A 112
ASP A  70
ASP A 120
GLY A  64
 None
 1.23A 2igtC-2wbiA:
undetectable		 2igtC-2wbiA:
21.71
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 ASP A 164
ASP A 107
ASP A 167
GLY A 217
 None
 1.48A 2igtC-2wzsA:
undetectable		 2igtC-2wzsA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		4 ASP A 158
ASP A 228
ASP A 255
GLY A 163
 None
 1.21A 2igtC-2xmrA:
2.0		 2igtC-2xmrA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		4 ASP A 685
ASP A 617
ASP A 532
GLY A 609
 None
EDO  A1942 (-2.9A)
CA  A1934 (-3.1A)
None
 1.25A 2igtC-2yhgA:
2.2		 2igtC-2yhgA:
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.
2yn3 PUTATIVE INNER
MEMBRANE PROTEIN

(Salmonella
enterica) 		PF12245
(Big_3_2) 		4 ASP A5296
ASP A5178
ASP A5229
GLY A5346
 CA  A6364 (-2.7A)
CA  A6363 (-2.9A)
None
None
 1.43A 2igtC-2yn3A:
undetectable		 2igtC-2yn3A:
20.72
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.
3ahy BETA-GLUCOSIDASE

(Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		4 ASP A  22
ASP A  32
ASP A  24
GLY A  19
 None
 1.10A 2igtC-3ahyA:
undetectable		 2igtC-3ahyA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3btp SINGLE-STRAND
DNA-BINDING PROTEIN

(Agrobacterium
fabrum) 		PF07229
(VirE2) 		4 ASP A 262
ASP A 126
ASP A 281
GLY A 242
 None
 1.17A 2igtC-3btpA:
undetectable		 2igtC-3btpA:
20.46
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.
3c5y RIBOSE/GALACTOSE
ISOMERASE

(Novosphingobium
aromaticivorans) 		PF02502
(LacAB_rpiB)
PF12408
(DUF3666) 		4 ASP A 168
ASP A 163
ASP A 200
GLY A  87
 EDO  A 216 (-2.8A)
EDO  A 214 (-4.3A)
None
None
 1.45A 2igtC-3c5yA:
undetectable		 2igtC-3c5yA:
25.51
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		4 ASP A 365
ASP A  69
ASP A 280
GLY A  93
 ACY  A 481 ( 2.5A)
None
None
None
 1.31A 2igtC-3gipA:
undetectable		 2igtC-3gipA:
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.
3gt5 N-ACETYLGLUCOSAMINE
2-EPIMERASE

(Xylella
fastidiosa) 		PF07221
(GlcNAc_2-epim) 		4 ASP A 355
ASP A 374
ASP A 383
GLY A  48
 None
 1.45A 2igtC-3gt5A:
undetectable		 2igtC-3gt5A:
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.
3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		4 ASP A  59
ASP A  76
ASP A  64
GLY A   8
 None
 1.29A 2igtC-3ibtA:
2.7		 2igtC-3ibtA:
21.62
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 ASP A  80
ASP A 138
ASP A  48
GLY A  74
 None
None
None
SAH  A 300 (-3.5A)
 1.42A 2igtC-3lccA:
9.7		 2igtC-3lccA:
21.24
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		4 ASP A 271
ASP A 310
ASP A 266
GLY A 305
 None
 1.30A 2igtC-3lggA:
undetectable		 2igtC-3lggA:
22.53
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.
3m94 TRANSLATION
INITIATION FACTOR 4E

(Ascaris suum) 		PF01652
(IF4E) 		4 ASP A 174
ASP A 140
ASP A 103
GLY A  97
 None
None
M7M  A   1 ( 4.4A)
None
 1.12A 2igtC-3m94A:
undetectable		 2igtC-3m94A:
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.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 ASP A  68
ASP A  62
ASP B 113
GLY A  57
 None
 1.37A 2igtC-3ml0A:
undetectable		 2igtC-3ml0A:
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.
3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Paenibacillus
sp. Y412MC10) 		PF13378
(MR_MLE_C) 		4 ASP A 187
ASP A 207
ASP A 139
GLY A  34
 None
MG  A 501 ( 2.8A)
None
None
 1.28A 2igtC-3opsA:
2.1		 2igtC-3opsA:
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 4 ASP A 116
ASP A 141
ASP A 133
GLY A 156
 None
CA  A 405 ( 2.4A)
None
CA  A 406 (-4.0A)
 1.41A 2igtC-3p4gA:
undetectable		 2igtC-3p4gA:
22.66
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 ASP B1318
ASP B 931
ASP B1276
GLY B 936
 None
 1.36A 2igtC-3prxB:
undetectable		 2igtC-3prxB:
11.76
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.
3r9j SEPTUM
SITE-DETERMINING
PROTEIN MIND

(Escherichia
coli) 		PF01656
(CbiA) 		4 ASP A  47
ASP A  59
ASP A 120
GLY A  42
 None
 1.09A 2igtC-3r9jA:
2.1		 2igtC-3r9jA:
23.89
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 ASP A 483
ASP A 497
ASP A 645
GLY A 364
 None
07U  A   1 (-3.6A)
None
None
 1.41A 2igtC-3txoA:
undetectable		 2igtC-3txoA:
21.74
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.
3u27 MICROCOMPARTMENTS
PROTEIN

(Leptotrichia
buccalis) 		no annotation 4 ASP C 117
ASP C 119
ASP C 212
GLY C   3
 None
 1.20A 2igtC-3u27C:
undetectable		 2igtC-3u27C:
23.41
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ASP A 243
ASP A 190
ASP A 458
GLY A 235
 None
 1.42A 2igtC-4av6A:
undetectable		 2igtC-4av6A:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		4 ASP A  42
ASP A 451
ASP A 211
GLY A 123
 GLC  A 468 (-2.7A)
GLC  A 468 (-2.9A)
None
None
 1.39A 2igtC-4b8sA:
3.8		 2igtC-4b8sA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4blf SINGLE-STRAND
DNA-BINDING PROTEIN

(Agrobacterium
tumefaciens) 		PF07229
(VirE2) 		4 ASP A 262
ASP A 126
ASP A 281
GLY A 242
 None
 1.17A 2igtC-4blfA:
undetectable		 2igtC-4blfA:
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.
4eip PUTATIVE
FAD-MONOOXYGENASE

(Lechevalieria
aerocolonigenes) 		PF01494
(FAD_binding_3) 		4 ASP A 172
ASP A  36
ASP A 296
GLY A  18
 None
FAD  A 602 (-2.7A)
FAD  A 602 (-3.3A)
None
 1.19A 2igtC-4eipA:
3.1		 2igtC-4eipA:
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.
4g0r CAPSID PROTEIN VP1

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		4 ASP A 405
ASP A 367
ASP A 375
GLY A 371
 EDO  A 602 (-4.8A)
NA  A 607 (-3.5A)
CL  A 608 (-4.1A)
None
 1.38A 2igtC-4g0rA:
undetectable		 2igtC-4g0rA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Homo sapiens) 		PF00454
(PI3_PI4_kinase) 		4 ASP A 301
ASP A 200
ASP A 346
GLY A 195
 ASP  A 301 ( 0.6A)
ASP  A 200 ( 0.6A)
ASP  A 346 (-0.6A)
GLY  A 195 ( 0.0A)
 1.36A 2igtC-4hneA:
undetectable		 2igtC-4hneA:
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 ASP A 799
ASP A 762
ASP A 797
GLY A1414
 GOL  A1502 (-3.4A)
None
None
None
 1.44A 2igtC-4iglA:
undetectable		 2igtC-4iglA:
13.11
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.
4jat ALPHA-PYRONE
SYNTHESIS POLYKETIDE
SYNTHASE-LIKE PKS11

(Mycobacterium
tuberculosis) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 ASP A 157
ASP A 200
ASP A  99
GLY A 154
 None
 1.48A 2igtC-4jatA:
undetectable		 2igtC-4jatA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jhm MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 173
ASP A 194
ASP A  26
GLY A 197
 None
 1.43A 2igtC-4jhmA:
undetectable		 2igtC-4jhmA:
23.28
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 4 ASP A 358
ASP A 297
ASP A 217
GLY A 351
 None
 1.22A 2igtC-4qnlA:
4.1		 2igtC-4qnlA:
18.20
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.
4r9i SERPIN-18

(Bombyx mori) 		PF00079
(Serpin) 		4 ASP A 329
ASP A 326
ASP A 333
GLY A 337
 None
 1.41A 2igtC-4r9iA:
undetectable		 2igtC-4r9iA:
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.
4u9p UPF0264 PROTEIN
MJ1099

(Methanocaldococcus
jannaschii) 		PF04476
(4HFCP_synth) 		4 ASP A 124
ASP A 162
ASP A 151
GLY A 157
 None
 1.05A 2igtC-4u9pA:
undetectable		 2igtC-4u9pA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ASP A 387
ASP A 343
ASP A 394
GLY A 683
 None
 1.43A 2igtC-4uzsA:
undetectable		 2igtC-4uzsA:
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.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		4 ASP H 189
ASP H 186
ASP H 146
GLY H 223
 0Z7  H 501 (-2.3A)
None
None
POL  H 509 ( 4.0A)
 1.36A 2igtC-4ylqH:
undetectable		 2igtC-4ylqH:
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.
5dze ENDO-GLUCANASE

(Vitis vinifera) 		PF00722
(Glyco_hydro_16) 		4 ASP A  88
ASP A  91
ASP A  84
GLY A 112
 None
GLC  A 301 ( 2.8A)
None
None
 1.42A 2igtC-5dzeA:
undetectable		 2igtC-5dzeA:
19.54
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		4 ASP A 514
ASP A 536
ASP A 574
GLY A 580
 None
 1.16A 2igtC-5f7uA:
undetectable		 2igtC-5f7uA:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f9o CLADE A/E 93TH057
HIV-1 GP120 CORE
CH235.9 HEAVY CHAIN

(Human
immunodeficiency
virus 1;
Homo sapiens) 		PF00516
(GP120)
PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H  52
ASP G 368
ASP H  31
GLY G 473
 None
 1.47A 2igtC-5f9oH:
undetectable		 2igtC-5f9oH:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gs0 TOLL-LIKE RECEPTOR 3
LIGHT CHAIN
(ANTI-TLR3)

(Homo sapiens;
Mus musculus) 		PF13516
(LRR_6)
PF13855
(LRR_8)
PF07686
(V-set) 		4 ASP A 116
ASP C  50
ASP C  91
GLY C  28
 None
 1.47A 2igtC-5gs0A:
undetectable		 2igtC-5gs0A:
17.73
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.
5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC

(Zea mays) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ASP A 334
ASP A 295
ASP A 374
GLY A 318
 None
None
None
SRM  A 702 (-3.7A)
 1.37A 2igtC-5h8yA:
undetectable		 2igtC-5h8yA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 ASP A 387
ASP A 777
ASP A 406
GLY A  35
 None
 1.46A 2igtC-5m2nA:
undetectable		 2igtC-5m2nA:
17.87
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 4 ASP A 506
ASP A 501
ASP A 144
GLY A 141
 None
None
TRS  A 701 (-2.8A)
None
 1.33A 2igtC-5n6vA:
undetectable		 2igtC-5n6vA:
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.
5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2

(Homo sapiens) 		no annotation 4 ASP A 790
ASP A 701
ASP A 665
GLY A 661
 None
 1.25A 2igtC-5n7fA:
undetectable		 2igtC-5n7fA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o2x GLYCOSIDE HYDROLASE
FAMILY 61

(Trichoderma
reesei) 		PF03443
(Glyco_hydro_61) 		4 ASP A  18
ASP A  38
ASP A   6
GLY A   2
 None
None
None
HIC  A   1 ( 2.4A)
 1.12A 2igtC-5o2xA:
undetectable		 2igtC-5o2xA:
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.
5oik TRANSCRIPTION
ELONGATION FACTOR
SPT4

(Homo sapiens) 		PF06093
(Spt4) 		4 ASP Y  31
ASP Y  37
ASP Y  26
GLY Y  44
 None
 1.22A 2igtC-5oikY:
undetectable		 2igtC-5oikY:
14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u99 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF01634
(HisG)
PF08029
(HisG_C) 		4 ASP A  70
ASP A 154
ASP A 176
GLY A 157
 ATP  A 306 (-2.8A)
SO4  A 303 (-3.1A)
None
SO4  A 301 (-3.6A)
 1.50A 2igtC-5u99A:
undetectable		 2igtC-5u99A:
22.73
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.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 4 ASP A  95
ASP A  72
ASP A  45
GLY A 136
 SAH  A 301 (-2.7A)
None
None
AZ8  A 302 ( 3.5A)
 1.39A 2igtC-5ufmA:
13.9		 2igtC-5ufmA:
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		4 ASP f 636
ASP f 630
ASP f 638
GLY f 602
 None
 1.35A 2igtC-5vhif:
undetectable		 2igtC-5vhif:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xeq NEUROLIGIN-2

(Homo sapiens) 		PF00135
(COesterase) 		4 ASP A 502
ASP A 497
ASP A 125
GLY A 387
 None
 1.38A 2igtC-5xeqA:
undetectable		 2igtC-5xeqA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cza -

(-) 		no annotation 4 ASP A 126
ASP A 128
ASP A 495
GLY A 818
 None
 1.41A 2igtC-6czaA:
3.7		 2igtC-6czaA:
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.
6d4j PROTEIN PATCHED
HOMOLOG 1

(Homo sapiens) 		no annotation 4 ASP A 850
ASP A 930
ASP A 857
GLY A 290
 None
 1.16A 2igtC-6d4jA:
undetectable		 2igtC-6d4jA:
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 4 ASP A 315
ASP A 276
ASP A 285
GLY A 274
 CA  A 904 (-2.1A)
G39  A 908 (-3.3A)
None
None
 1.32A 2igtC-6eksA:
undetectable		 2igtC-6eksA:
20.32
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 4 ASP A 210
ASP A 216
ASP A 160
GLY A 155
 None
 1.13A 2igtC-6fhvA:
undetectable		 2igtC-6fhvA:
undetectable