SIMILAR PATTERNS OF AMINO ACIDS FOR 4NTX_A_AMRA509

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.
1a3x PYRUVATE KINASE

(Saccharomyces
cerevisiae) 		PF00224
(PK)
PF02887
(PK_C) 		4 ASP A 266
GLU A  89
ASN A  51
ARG A  49
 MN  A1001 ( 2.8A)
None
K  A1002 (-3.6A)
PGA  A1005 (-3.4A)
 1.10A 4ntxA-1a3xA:
0.0
4ntxC-1a3xA:
0.0		 4ntxA-1a3xA:
21.88
4ntxC-1a3xA:
12.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		4 GLU A 174
GLU A 439
ASN A 116
ARG A 119
 None
 1.34A 4ntxA-1g7rA:
0.0
4ntxC-1g7rA:
undetectable		 4ntxA-1g7rA:
22.44
4ntxC-1g7rA:
9.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jcf ROD
SHAPE-DETERMINING
PROTEIN MREB

(Thermotoga
maritima) 		PF06723
(MreB_Mbl) 		4 GLU A 131
ASP A  67
GLU A 181
ARG A  63
 None
 1.28A 4ntxA-1jcfA:
0.0
4ntxC-1jcfA:
0.0		 4ntxA-1jcfA:
21.94
4ntxC-1jcfA:
15.50
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.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)

(Oryctolagus
cuniculus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 ASP A 291
ASP A 289
ASN A 118
ARG A  22
 CD  A 562 (-3.3A)
CD  A 562 ( 2.7A)
None
None
 1.24A 4ntxA-1lxtA:
0.0
4ntxC-1lxtA:
0.0		 4ntxA-1lxtA:
23.04
4ntxC-1lxtA:
11.29
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.
1mc8 FLAP ENDONUCLEASE-1

(Pyrococcus
horikoshii) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 GLU A 116
ASP A 173
GLU A 154
ARG A 186
 None
 1.39A 4ntxA-1mc8A:
0.0
4ntxC-1mc8A:
undetectable		 4ntxA-1mc8A:
23.13
4ntxC-1mc8A:
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 GLU A 357
ASP A 354
ASP A 290
ARG A 211
 None
IFG  A 557 (-3.6A)
None
IFG  A 557 (-2.8A)
 1.15A 4ntxA-1nowA:
0.0
4ntxC-1nowA:
undetectable		 4ntxA-1nowA:
21.20
4ntxC-1nowA:
11.72
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.
1s1d APYRASE

(Homo sapiens) 		PF06079
(Apyrase) 		4 ASP A  42
ASP A 112
GLU A 145
ARG A  93
 GP2  A4001 (-3.7A)
GP2  A4001 (-4.2A)
GP2  A4001 ( 2.7A)
None
 1.41A 4ntxA-1s1dA:
0.0
4ntxC-1s1dA:
undetectable		 4ntxA-1s1dA:
20.94
4ntxC-1s1dA:
14.76
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.
1s1d APYRASE

(Homo sapiens) 		PF06079
(Apyrase) 		4 GLU A 295
ASP A  42
ASP A 112
GLU A 145
 None
GP2  A4001 (-3.7A)
GP2  A4001 (-4.2A)
GP2  A4001 ( 2.7A)
 1.31A 4ntxA-1s1dA:
0.0
4ntxC-1s1dA:
undetectable		 4ntxA-1s1dA:
20.94
4ntxC-1s1dA:
14.76
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.
1v4v UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Thermus
thermophilus) 		PF02350
(Epimerase_2) 		4 GLU A 122
ASP A 150
ASP A 144
GLU A 164
 None
 1.35A 4ntxA-1v4vA:
undetectable
4ntxC-1v4vA:
0.0		 4ntxA-1v4vA:
22.20
4ntxC-1v4vA:
18.51
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 GLU A 457
ASP A 387
GLU A 424
ARG A 210
 None
ZN  A1751 ( 2.6A)
ZN  A1751 (-3.6A)
None
 1.09A 4ntxA-1z8lA:
0.0
4ntxC-1z8lA:
0.0		 4ntxA-1z8lA:
18.99
4ntxC-1z8lA:
8.92
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.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ASP A 540
ASP A 429
GLU A 504
ARG A 269
 None
None
None
AMP  A1563 (-3.4A)
 1.38A 4ntxA-2cfmA:
undetectable
4ntxC-2cfmA:
1.5		 4ntxA-2cfmA:
21.68
4ntxC-2cfmA:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 GLU A 543
ASP A 540
GLU A 426
ARG A 269
 None
None
AMP  A1563 ( 3.9A)
AMP  A1563 (-3.4A)
 1.09A 4ntxA-2cfmA:
undetectable
4ntxC-2cfmA:
1.5		 4ntxA-2cfmA:
21.68
4ntxC-2cfmA:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 4 GLU A 107
ASP A 109
ASP A 243
ARG A 191
 None
 1.34A 4ntxA-2cl2A:
undetectable
4ntxC-2cl2A:
undetectable		 4ntxA-2cl2A:
21.62
4ntxC-2cl2A:
16.15
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 ASP A 294
ASP A 292
ASN A  68
ARG A  30
 ZN  A 921 ( 2.3A)
ZN  A 921 ( 2.4A)
None
PO4  A 911 ( 3.9A)
 1.13A 4ntxA-2dkdA:
undetectable
4ntxC-2dkdA:
0.3		 4ntxA-2dkdA:
22.07
4ntxC-2dkdA:
11.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fuv PHOSPHOGLUCOMUTASE

(Salmonella
enterica) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 ASP A 308
ASP A 306
ASN A 148
ARG A  48
 MG  A 901 (-2.7A)
MG  A 901 (-2.1A)
None
None
 1.06A 4ntxA-2fuvA:
undetectable
4ntxC-2fuvA:
undetectable		 4ntxA-2fuvA:
21.47
4ntxC-2fuvA:
12.87
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B

(Homo sapiens) 		no annotation 4 GLU N 357
ASP N 354
ASP M 290
ARG M 211
 None
 0.89A 4ntxA-2gk1N:
2.1
4ntxC-2gk1N:
undetectable		 4ntxA-2gk1N:
19.50
4ntxC-2gk1N:
18.47
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.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		4 GLU A 283
ASP A 236
ASP A  94
GLU A  70
 None
MG  A 902 ( 3.1A)
ADP  A2005 (-2.8A)
MG  A 901 ( 2.8A)
 1.20A 4ntxA-2hruA:
undetectable
4ntxC-2hruA:
undetectable		 4ntxA-2hruA:
22.93
4ntxC-2hruA:
10.95
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.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 GLU A 997
ASP A1214
GLU A1212
ASN A1279
 None
 1.18A 4ntxA-2nm1A:
undetectable
4ntxC-2nm1A:
undetectable		 4ntxA-2nm1A:
20.83
4ntxC-2nm1A:
14.12
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.
2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Homo sapiens) 		PF00348
(polyprenyl_synt) 		4 ASP A  64
ASP A  68
GLU A 210
ASN A 192
 GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
MG  A 401 ( 3.9A)
None
 1.18A 4ntxA-2q80A:
2.9
4ntxC-2q80A:
0.4		 4ntxA-2q80A:
21.69
4ntxC-2q80A:
16.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qts ACID-SENSING ION
CHANNEL

(Gallus gallus) 		PF00858
(ASC) 		4 GLU A 236
ASP A 238
ASP A 350
GLU A 354
 None
 0.32A 4ntxA-2qtsA:
11.4
4ntxC-2qtsA:
2.2		 4ntxA-2qtsA:
100.00
4ntxC-2qtsA:
12.79
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.
2vgi PYRUVATE KINASE
ISOZYMES R/L

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		4 ASP A 339
GLU A 161
ASN A 118
ARG A 116
 MN  A1577 ( 2.6A)
K  A1576 ( 4.8A)
K  A1576 (-4.0A)
PGA  A1575 (-3.7A)
 1.16A 4ntxA-2vgiA:
undetectable
4ntxC-2vgiA:
undetectable		 4ntxA-2vgiA:
21.55
4ntxC-2vgiA:
12.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 GLU A 609
GLU A 617
ASN A 685
ARG A 556
 None
 1.10A 4ntxA-2x58A:
undetectable
4ntxC-2x58A:
0.0		 4ntxA-2x58A:
20.59
4ntxC-2x58A:
9.94
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		4 GLU F 595
GLU F 190
ASN F 423
ARG F 683
 None
 1.36A 4ntxA-2xwbF:
1.7
4ntxC-2xwbF:
undetectable		 4ntxA-2xwbF:
20.84
4ntxC-2xwbF:
9.34
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.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		4 ASP A  -1
ASP A 142
ASN A 193
ARG A 196
 None
 1.11A 4ntxA-3ayrA:
undetectable
4ntxC-3ayrA:
undetectable		 4ntxA-3ayrA:
20.70
4ntxC-3ayrA:
13.62
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.
3f41 PHYTASE

(Mitsuokella
multacida) 		PF14566
(PTPlike_phytase) 		4 GLU A 530
ASP A 428
GLU A 464
ASN A 452
 None
 1.25A 4ntxA-3f41A:
undetectable
4ntxC-3f41A:
undetectable		 4ntxA-3f41A:
20.44
4ntxC-3f41A:
11.85
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.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		4 GLU A 440
ASP A  53
ASN A  62
ARG A 267
 None
 1.32A 4ntxA-3fcrA:
undetectable
4ntxC-3fcrA:
undetectable		 4ntxA-3fcrA:
21.32
4ntxC-3fcrA:
13.18
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 GLU A 447
ASP A 377
GLU A 414
ARG A 200
 None
ZN  A1751 (-2.5A)
BIX  A   1 ( 2.7A)
BIX  A   1 (-2.7A)
 0.96A 4ntxA-3fedA:
2.8
4ntxC-3fedA:
undetectable		 4ntxA-3fedA:
21.52
4ntxC-3fedA:
9.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpn GEOBACILLUS
STEAROTHERMOPHILUS
UVRA INTERACTION
DOMAIN
GEOBACILLUS
STEAROTHERMOPHILUS
UVRB INTERACTION
DOMAIN

(Geobacillus
stearothermophilus) 		no annotation 4 GLU A 222
ASP B 185
ASN B 170
ARG B 169
 None
 1.24A 4ntxA-3fpnA:
undetectable
4ntxC-3fpnA:
undetectable		 4ntxA-3fpnA:
13.61
4ntxC-3fpnA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1z PUTATIVE LYSYL-TRNA
SYNTHETASE

(Salmonella
enterica) 		PF00152
(tRNA-synt_2) 		4 GLU A 102
ASP A  50
ASN A 247
ARG A 235
 AMP  A 401 (-3.9A)
None
AMP  A 401 (-4.2A)
None
 1.36A 4ntxA-3g1zA:
undetectable
4ntxC-3g1zA:
undetectable		 4ntxA-3g1zA:
23.65
4ntxC-3g1zA:
15.62
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.
3hmu AMINOTRANSFERASE,
CLASS III

(Ruegeria
pomeroyi) 		PF00202
(Aminotran_3) 		4 GLU A 435
ASP A  57
ASN A  66
ARG A 269
 None
 1.21A 4ntxA-3hmuA:
undetectable
4ntxC-3hmuA:
undetectable		 4ntxA-3hmuA:
22.90
4ntxC-3hmuA:
11.50
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.
3i3w PHOSPHOGLUCOSAMINE
MUTASE

(Francisella
tularensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 ASP A 243
ASP A 241
ASN A 103
ARG A  11
 ZN  A 900 (-2.7A)
ZN  A 900 (-2.8A)
None
SEP  A 101 ( 2.9A)
 1.08A 4ntxA-3i3wA:
2.6
4ntxC-3i3wA:
undetectable		 4ntxA-3i3wA:
21.27
4ntxC-3i3wA:
13.18
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.
3ir4 GLUTAREDOXIN 2

(Salmonella
enterica) 		PF04399
(Glutaredoxin2_C)
PF13417
(GST_N_3) 		4 ASP A   7
GLU A 112
ASN A 181
ARG A 180
 None
 1.32A 4ntxA-3ir4A:
undetectable
4ntxC-3ir4A:
undetectable		 4ntxA-3ir4A:
20.96
4ntxC-3ir4A:
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		4 GLU A 782
ASP A 923
ASN A1266
ARG A1269
 None
 1.41A 4ntxA-3jb9A:
undetectable
4ntxC-3jb9A:
undetectable		 4ntxA-3jb9A:
10.77
4ntxC-3jb9A:
4.06
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.
3k2k PUTATIVE
CARBOXYPEPTIDASE

(Burkholderia
mallei) 		PF00246
(Peptidase_M14) 		4 ASP A 266
GLU A 174
ASN A 233
ARG A 236
 None
None
CL  A 387 ( 4.9A)
CL  A 387 (-2.9A)
 1.33A 4ntxA-3k2kA:
undetectable
4ntxC-3k2kA:
undetectable		 4ntxA-3k2kA:
23.08
4ntxC-3k2kA:
13.88
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.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A

(Shewanella
denitrificans) 		PF00246
(Peptidase_M14) 		4 ASP A 257
GLU A 169
ASN A 224
ARG A 227
 None
CA  A 377 (-2.1A)
UNL  A 378 (-4.7A)
UNL  A 378 ( 2.8A)
 1.29A 4ntxA-3l2nA:
undetectable
4ntxC-3l2nA:
undetectable		 4ntxA-3l2nA:
21.30
4ntxC-3l2nA:
14.95
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.
3mca PROTEIN DOM34

(Schizosaccharomyces
pombe) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		4 ASP B 357
ASP B 315
ASN B  31
ARG B 319
 None
 1.14A 4ntxA-3mcaB:
undetectable
4ntxC-3mcaB:
undetectable		 4ntxA-3mcaB:
22.25
4ntxC-3mcaB:
17.46
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.
3mwt NUCLEOPROTEIN

(Lassa
mammarenavirus) 		PF00843
(Arena_nucleocap)
PF17290
(Arena_ncap_C) 		4 ASP A  60
ASP A  63
ASN A  49
ARG A  52
 None
 1.20A 4ntxA-3mwtA:
undetectable
4ntxC-3mwtA:
undetectable		 4ntxA-3mwtA:
21.41
4ntxC-3mwtA:
13.60
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.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 GLU A 502
ASP A 349
ASN A 489
ARG A 486
 None
MG  A 623 ( 3.2A)
DST  A 601 (-3.8A)
DST  A 601 (-3.1A)
 1.38A 4ntxA-3n0gA:
2.2
4ntxC-3n0gA:
undetectable		 4ntxA-3n0gA:
21.43
4ntxC-3n0gA:
13.76
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.
3n5m ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		4 GLU A 434
ASP A  50
ASN A  59
ARG A 260
 None
 1.34A 4ntxA-3n5mA:
undetectable
4ntxC-3n5mA:
undetectable		 4ntxA-3n5mA:
24.19
4ntxC-3n5mA:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o3o ALPHA-SUBUNIT
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		4 ASP A  48
GLU A  45
ASN A  50
ARG A  30
 None
 1.22A 4ntxA-3o3oA:
undetectable
4ntxC-3o3oA:
undetectable		 4ntxA-3o3oA:
22.62
4ntxC-3o3oA:
16.05
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.
3o3o ALPHA-SUBUNIT
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		4 GLU A 229
ASP A  48
ASN A  50
ARG A  30
 None
 1.07A 4ntxA-3o3oA:
undetectable
4ntxC-3o3oA:
undetectable		 4ntxA-3o3oA:
22.62
4ntxC-3o3oA:
16.05
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.
3pdk PHOSPHOGLUCOSAMINE
MUTASE

(Bacillus
anthracis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 ASP A 244
ASP A 242
ASN A 102
ARG A  11
 None
 1.09A 4ntxA-3pdkA:
2.4
4ntxC-3pdkA:
undetectable		 4ntxA-3pdkA:
22.49
4ntxC-3pdkA:
11.75
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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		4 GLU A  45
ASP A 282
ASP A 220
ASN A 135
 None
None
None
DCK  A 401 (-4.2A)
 1.25A 4ntxA-3ppoA:
undetectable
4ntxC-3ppoA:
undetectable		 4ntxA-3ppoA:
22.49
4ntxC-3ppoA:
15.33
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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		4 GLU A 190
ASP A 307
GLU A 327
ARG A 122
 EPZ  A 508 ( 4.9A)
EPZ  A 508 (-2.7A)
None
EPZ  A 508 (-3.9A)
 1.07A 4ntxA-3sweA:
undetectable
4ntxC-3sweA:
undetectable		 4ntxA-3sweA:
22.20
4ntxC-3sweA:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3swg UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF00275
(EPSP_synthase) 		4 GLU A 196
ASP A 311
GLU A 331
ARG A 129
 None
EPZ  A 518 (-2.7A)
None
EPZ  A 518 (-4.0A)
 1.06A 4ntxA-3swgA:
undetectable
4ntxC-3swgA:
undetectable		 4ntxA-3swgA:
23.37
4ntxC-3swgA:
12.50
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.
3syb GLYCINE-GLUTAMATE
DIPEPTIDE PORIN OPDP

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 GLU A 408
GLU A 216
ASN A 172
ARG A 173
 None
 1.19A 4ntxA-3sybA:
undetectable
4ntxC-3sybA:
undetectable		 4ntxA-3sybA:
21.72
4ntxC-3sybA:
11.35
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		4 GLU A 549
ASP A 502
ASP A 318
GLU A 294
 None
ANP  A2001 (-2.9A)
ANP  A2001 (-3.3A)
ANP  A2001 (-2.9A)
 1.30A 4ntxA-3ummA:
undetectable
4ntxC-3ummA:
undetectable		 4ntxA-3ummA:
16.90
4ntxC-3ummA:
6.66
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.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		4 GLU A 189
ASP A 306
GLU A 326
ARG A 121
 UD1  A 501 ( 4.9A)
UD1  A 501 (-2.8A)
None
PO4  A 502 (-3.0A)
 1.13A 4ntxA-3vcyA:
undetectable
4ntxC-3vcyA:
undetectable		 4ntxA-3vcyA:
22.16
4ntxC-3vcyA:
12.62
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 GLU A 306
ASP A 259
ASP A 109
GLU A  85
 None
ADP  A 800 ( 4.0A)
ADP  A 800 (-3.3A)
ADP  A 800 (-3.5A)
 1.01A 4ntxA-3viuA:
3.6
4ntxC-3viuA:
undetectable		 4ntxA-3viuA:
20.22
4ntxC-3viuA:
9.61
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.
4a6u OMEGA TRANSAMINASE

(Chromobacterium
violaceum) 		PF00202
(Aminotran_3) 		4 GLU A 434
ASP A  54
ASN A  63
ARG A 267
 None
 1.33A 4ntxA-4a6uA:
undetectable
4ntxC-4a6uA:
undetectable		 4ntxA-4a6uA:
22.16
4ntxC-4a6uA:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amf PHOX

(Pseudomonas
fluorescens) 		PF05787
(DUF839) 		4 GLU A 554
ASP A 479
ASN A 404
ARG A 385
 None
CA  A1592 (-2.1A)
ACP  A1589 ( 4.7A)
ACP  A1589 (-2.8A)
 1.03A 4ntxA-4amfA:
undetectable
4ntxC-4amfA:
undetectable		 4ntxA-4amfA:
19.90
4ntxC-4amfA:
11.39
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.
4b0s DEAMIDASE-DEPUPYLASE
DOP

(Acidothermus
cellulolyticus) 		PF03136
(Pup_ligase) 		4 ASP A  94
GLU A   8
ASN A 225
ARG A 227
 ATP  A1501 (-3.9A)
MG  A1502 (-2.2A)
None
ATP  A1501 (-3.9A)
 1.24A 4ntxA-4b0sA:
0.9
4ntxC-4b0sA:
undetectable		 4ntxA-4b0sA:
20.62
4ntxC-4b0sA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b6z FAMILY M14
UNASSIGNED PEPTIDASE

(Burkholderia
cenocepacia) 		PF00246
(Peptidase_M14) 		4 GLU A 117
ASP A  10
ASN A 214
ARG A 169
 None
 1.38A 4ntxA-4b6zA:
undetectable
4ntxC-4b6zA:
undetectable		 4ntxA-4b6zA:
21.56
4ntxC-4b6zA:
13.49
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.
4bgo EFEM M75 PEPTIDASE

(Pseudomonas
syringae) 		PF09375
(Peptidase_M75) 		4 GLU A 188
ASP A 190
ASP A 199
GLU A  90
 None
 1.09A 4ntxA-4bgoA:
undetectable
4ntxC-4bgoA:
undetectable		 4ntxA-4bgoA:
22.68
4ntxC-4bgoA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 ASP A 288
ASP A 286
ASN A  71
ARG A  33
 MG  A 998 (-2.3A)
MG  A 998 (-2.4A)
None
SEP  A  69 ( 2.9A)
 1.11A 4ntxA-4bjuA:
undetectable
4ntxC-4bjuA:
1.8		 4ntxA-4bjuA:
21.99
4ntxC-4bjuA:
11.88
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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 GLU A 380
ASP A 288
ASP A 284
ARG A  33
 None
MG  A 998 (-2.3A)
MG  A 998 (-2.6A)
SEP  A  69 ( 2.9A)
 1.36A 4ntxA-4bjuA:
undetectable
4ntxC-4bjuA:
1.8		 4ntxA-4bjuA:
21.99
4ntxC-4bjuA:
11.88
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.
4bkm PYRIDOXAL PHOSPHATE
PHOSPHATASE,
PHOSPHOGLYCOLATE
PHOSPHATASE,
PYRIDOXAL PHOSPHATE
PHOSPHATASE

(Mus musculus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 GLU A  34
GLU A  67
ASN A  60
ARG A  62
 None
None
NO3  A1305 ( 4.4A)
NO3  A1305 (-4.8A)
 1.19A 4ntxA-4bkmA:
undetectable
4ntxC-4bkmA:
undetectable		 4ntxA-4bkmA:
22.27
4ntxC-4bkmA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		4 ASP A 233
ASP A 246
ASN A 276
ARG A 244
 None
None
None
SO4  A 291 (-4.1A)
 1.25A 4ntxA-4c75A:
undetectable
4ntxC-4c75A:
undetectable		 4ntxA-4c75A:
20.00
4ntxC-4c75A:
18.26
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.
4fe4 XYLOSE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF12833
(HTH_18)
PF13377
(Peripla_BP_3) 		4 ASP A  63
ASP A  65
ASN A 103
ARG A 139
 None
 1.24A 4ntxA-4fe4A:
undetectable
4ntxC-4fe4A:
0.4		 4ntxA-4fe4A:
19.96
4ntxC-4fe4A:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 GLU A 604
ASP A 367
ASN A 480
ARG A 443
 None
 1.33A 4ntxA-4fnqA:
undetectable
4ntxC-4fnqA:
undetectable		 4ntxA-4fnqA:
21.14
4ntxC-4fnqA:
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.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		4 GLU A 260
ASP A  59
ASP A  81
ASN A 640
 None
 1.41A 4ntxA-4fwtA:
undetectable
4ntxC-4fwtA:
2.2		 4ntxA-4fwtA:
16.72
4ntxC-4fwtA:
6.81
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.
4fxb PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 GLU A 270
ASP A 337
GLU A 339
ARG A 345
 None
 1.41A 4ntxA-4fxbA:
0.8
4ntxC-4fxbA:
undetectable		 4ntxA-4fxbA:
20.75
4ntxC-4fxbA:
11.51
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.
4me3 DNA REPLICATION
LICENSING FACTOR MCM
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF17207
(MCM_OB) 		4 GLU A  27
ASP A  96
ASN A 257
ARG A 259
 None
 1.15A 4ntxA-4me3A:
undetectable
4ntxC-4me3A:
undetectable		 4ntxA-4me3A:
20.80
4ntxC-4me3A:
18.55
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		4 ASP A 333
GLU A 340
ASN A 468
ARG A 471
 None
 1.06A 4ntxA-4n49A:
undetectable
4ntxC-4n49A:
undetectable		 4ntxA-4n49A:
21.49
4ntxC-4n49A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmj PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		4 GLU A 178
ASP A 180
ASP A 147
ASN A 166
 None
 1.32A 4ntxA-4pmjA:
undetectable
4ntxC-4pmjA:
undetectable		 4ntxA-4pmjA:
21.86
4ntxC-4pmjA:
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.
4png LD04004P

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 ASP A 133
GLU A 137
ASN A 110
ARG A 131
 None
 1.26A 4ntxA-4pngA:
3.0
4ntxC-4pngA:
undetectable		 4ntxA-4pngA:
18.71
4ntxC-4pngA:
19.37
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.
4ppm AMINOTRANSFERASE

(Serratia sp.
FS14) 		PF00202
(Aminotran_3) 		4 GLU A 833
ASP A 437
ASN A 446
ARG A 624
 None
 1.40A 4ntxA-4ppmA:
undetectable
4ntxC-4ppmA:
undetectable		 4ntxA-4ppmA:
19.41
4ntxC-4ppmA:
9.09
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.
4q8g PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		PF13423
(UCH_1) 		4 GLU A 745
ASP A 743
GLU A 848
ASN A 617
 None
 1.21A 4ntxA-4q8gA:
undetectable
4ntxC-4q8gA:
undetectable		 4ntxA-4q8gA:
22.13
4ntxC-4q8gA:
13.56
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.
4r7f UNCHARACTERIZED
PROTEIN

(Parabacteroides
merdae) 		PF17116
(DUF5103) 		4 ASP A 290
ASP A 292
GLU A 394
ASN A 337
 MG  A 506 (-2.1A)
MG  A 506 (-3.2A)
None
None
 1.40A 4ntxA-4r7fA:
undetectable
4ntxC-4r7fA:
undetectable		 4ntxA-4r7fA:
21.27
4ntxC-4r7fA:
12.94
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		4 GLU A 189
ASP A 306
GLU A 326
ARG A 121
 None
UD1  A 503 (-2.7A)
None
UD1  A 503 (-3.8A)
 1.03A 4ntxA-4r7uA:
undetectable
4ntxC-4r7uA:
undetectable		 4ntxA-4r7uA:
22.11
4ntxC-4r7uA:
14.52
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.
4rwf MALTOSE TRANSPORTER
SUBUNIT, RECEPTOR
ACTIVITY-MODIFYING
PROTEIN 2,
CALCITONIN
GENE-RELATED PEPTIDE
TYPE 1 RECEPTOR
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF04901
(RAMP)
PF13416
(SBP_bac_8) 		4 GLU A 155
GLU A1105
ASN A 351
ARG A 356
 MAL  A2201 (-3.7A)
None
None
None
 1.32A 4ntxA-4rwfA:
2.4
4ntxC-4rwfA:
1.7		 4ntxA-4rwfA:
21.96
4ntxC-4rwfA:
10.56
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.
4rws C-X-C CHEMOKINE
RECEPTOR TYPE
4/ENDOLYSIN CHIMERIC
PROTEIN
VIRAL MACROPHAGE
INFLAMMATORY PROTEIN
2

(Escherichia
virus T4;
Homo sapiens;
Human
gammaherpesvirus
8) 		PF00001
(7tm_1)
PF00048
(IL8)
PF00959
(Phage_lysozyme)
PF12109
(CXCR4_N) 		4 GLU A  31
ASP C   9
GLU A 179
ASN A 101
 None
 1.35A 4ntxA-4rwsA:
2.2
4ntxC-4rwsA:
2.2		 4ntxA-4rwsA:
21.36
4ntxC-4rwsA:
14.29
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.
4xd9 RIBOSOME BIOGENESIS
PROTEIN (RRS1),
PUTATIVE
(AFU_ORTHOLOGUE
AFUA_7G04430)
RIBOSOME BIOGENESIS
PROTEIN, PUTATIVE
(AFU_ORTHOLOGUE
AFUA_8G04790)

(Aspergillus
nidulans) 		PF04427
(Brix)
PF04939
(RRS1) 		4 ASP A 122
GLU A 126
ASN B  53
ARG A 207
 None
 1.42A 4ntxA-4xd9A:
undetectable
4ntxC-4xd9A:
undetectable		 4ntxA-4xd9A:
21.14
4ntxC-4xd9A:
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.
4ye4 HEAVY CHAIN HUMAN
ANTIBODY HJ16
HT593.1 GP120

(Homo sapiens;
Human
immunodeficiency
virus) 		PF00516
(GP120)
PF07654
(C1-set)
PF07686
(V-set) 		4 GLU H  54
ASP H  98
GLU H  35
ASN G 460
 None
 1.15A 4ntxA-4ye4H:
undetectable
4ntxC-4ye4H:
undetectable		 4ntxA-4ye4H:
18.34
4ntxC-4ye4H:
20.18
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.
4zi8 PROTEIN PCDHGC3

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 GLU A 302
ASP A 240
ASP A 242
GLU A 175
 None
CA  A 401 (-2.2A)
CA  A 403 ( 3.3A)
CA  A 403 ( 2.4A)
 1.30A 4ntxA-4zi8A:
undetectable
4ntxC-4zi8A:
undetectable		 4ntxA-4zi8A:
23.03
4ntxC-4zi8A:
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 GLU A1245
ASP A1074
ASN A 988
ARG A 922
 None
 1.25A 4ntxA-4zktA:
2.4
4ntxC-4zktA:
0.9		 4ntxA-4zktA:
15.91
4ntxC-4zktA:
7.02
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.
5by8 RPF2
RRS1

(Aspergillus
nidulans) 		PF04427
(Brix)
PF04939
(RRS1) 		4 ASP A 122
GLU A 126
ASN B  53
ARG A 207
 None
 1.29A 4ntxA-5by8A:
undetectable
4ntxC-5by8A:
undetectable		 4ntxA-5by8A:
18.44
4ntxC-5by8A:
19.27
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.
5c2k TRANSFORMING PROTEIN
RHOA,RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00071
(Ras)
PF00620
(RhoGAP) 		4 GLU A  93
ASP A  13
ASP A 249
GLU A  64
 None
 1.14A 4ntxA-5c2kA:
undetectable
4ntxC-5c2kA:
undetectable		 4ntxA-5c2kA:
20.74
4ntxC-5c2kA:
15.85
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.
5dl6 PUTATIVE PORIN FOR
VANILLATE
TRAFFICKING (VANP)

(Acinetobacter
baumannii) 		PF03573
(OprD) 		4 GLU A 295
ASP A 290
GLU A 386
ARG A 156
 None
 1.29A 4ntxA-5dl6A:
undetectable
4ntxC-5dl6A:
undetectable		 4ntxA-5dl6A:
22.87
4ntxC-5dl6A:
13.83
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.
5dzx PROTOCADHERIN BETA 6

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 GLU A 104
ASP A 131
ASP A 133
GLU A  65
 None
CA  A 514 (-2.6A)
CA  A 513 ( 3.3A)
CA  A 513 ( 2.7A)
 1.33A 4ntxA-5dzxA:
undetectable
4ntxC-5dzxA:
undetectable		 4ntxA-5dzxA:
23.11
4ntxC-5dzxA:
14.53
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.
5dzx PROTOCADHERIN BETA 6

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 GLU A 213
ASP A 240
ASP A 242
GLU A 175
 None
CA  A 517 (-2.2A)
CA  A 516 ( 3.4A)
CA  A 516 ( 2.8A)
 1.33A 4ntxA-5dzxA:
undetectable
4ntxC-5dzxA:
undetectable		 4ntxA-5dzxA:
23.11
4ntxC-5dzxA:
14.53
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.
5erd DESMOGLEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		4 GLU A 107
ASP A 138
ASP A 102
GLU A  11
 None
CA  A 616 ( 3.3A)
CA  A 616 (-3.4A)
CA  A 617 ( 2.5A)
 1.38A 4ntxA-5erdA:
undetectable
4ntxC-5erdA:
undetectable		 4ntxA-5erdA:
21.22
4ntxC-5erdA:
10.82
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.
5erm FUSICOCCADIENE
SYNTHASE

(Diaporthe
amygdali) 		no annotation 4 ASP A  96
ASP A  92
ASN A 232
ARG A 188
 MG  A 403 (-2.4A)
MG  A 404 (-2.3A)
210  A 401 ( 2.5A)
210  A 401 ( 2.3A)
 1.29A 4ntxA-5ermA:
undetectable
4ntxC-5ermA:
undetectable		 4ntxA-5ermA:
21.71
4ntxC-5ermA:
13.20
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.
5id6 CPF1

(Lachnospiraceae
bacterium
ND2006) 		no annotation 4 GLU A1088
ASP A1146
GLU A1168
ARG A 836
 None
 1.26A 4ntxA-5id6A:
2.3
4ntxC-5id6A:
1.6		 4ntxA-5id6A:
16.64
4ntxC-5id6A:
6.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		4 GLU A 456
ASP A 428
GLU A 422
ASN A 416
 None
 1.31A 4ntxA-5jcfA:
3.1
4ntxC-5jcfA:
2.5		 4ntxA-5jcfA:
21.77
4ntxC-5jcfA:
9.14
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.
5jqe SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,CASPASE-8
CHIMERA

(Escherichia
coli) 		PF01335
(DED)
PF13416
(SBP_bac_8) 		4 GLU A1056
GLU A 371
ASN A 361
ARG A 366
 None
 1.27A 4ntxA-5jqeA:
3.1
4ntxC-5jqeA:
2.0		 4ntxA-5jqeA:
21.73
4ntxC-5jqeA:
10.64
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.
5kha GLUTAMINE-DEPENDENT
NAD+ SYNTHETASE

(Acinetobacter
baumannii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 GLU A 498
ASP A 505
ASN A  60
ARG A  64
 None
 1.41A 4ntxA-5khaA:
2.4
4ntxC-5khaA:
undetectable		 4ntxA-5khaA:
22.18
4ntxC-5khaA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kr6 4-AMINOBUTYRATE
TRANSAMINASE

(Pseudomonas) 		PF00202
(Aminotran_3) 		4 GLU A 439
ASP A  53
ASN A  62
ARG A 267
 None
 1.33A 4ntxA-5kr6A:
undetectable
4ntxC-5kr6A:
undetectable		 4ntxA-5kr6A:
21.16
4ntxC-5kr6A:
11.51
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.
5nxy OSMOTICALLY
ACTIVATED
L-CARNITINE/CHOLINE
ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN OPUCC

(Bacillus
subtilis) 		no annotation 4 GLU A  17
ASP A 254
ASP A 192
ASN A 107
 None
None
None
1Y8  A 301 (-3.8A)
 1.27A 4ntxA-5nxyA:
undetectable
4ntxC-5nxyA:
undetectable		 4ntxA-5nxyA:
11.00
4ntxC-5nxyA:
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.
5o2j PROBABLE PHOSPHITE
TRANSPORT
SYSTEM-BINDING
PROTEIN PTXB

(Pseudomonas
stutzeri) 		no annotation 4 GLU A 214
ASP A   3
ASN A 210
ARG A 208
 None
 1.10A 4ntxA-5o2jA:
undetectable
4ntxC-5o2jA:
undetectable		 4ntxA-5o2jA:
13.38
4ntxC-5o2jA:
23.15
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.
5ohx CYSTATHIONINE
BETA-SYNTHASE

(Apis mellifera) 		no annotation 4 GLU A  69
ASP A  79
ASN A 338
ARG A 337
 None
 1.42A 4ntxA-5ohxA:
undetectable
4ntxC-5ohxA:
undetectable		 4ntxA-5ohxA:
10.89
4ntxC-5ohxA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t9t PROTOCADHERIN GAMMA
B2-ALPHA C

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 GLU A 316
ASP A 343
ASP A 345
GLU A 280
 None
CA  A 609 (-2.3A)
CA  A 609 ( 3.3A)
CA  A 608 ( 2.4A)
 1.33A 4ntxA-5t9tA:
undetectable
4ntxC-5t9tA:
undetectable		 4ntxA-5t9tA:
22.52
4ntxC-5t9tA:
12.88
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.
5ti8 AMINOTRANSFERASE

(Pseudomonas sp.
M1) 		PF00202
(Aminotran_3) 		4 GLU A 433
ASP A  56
ASN A  65
ARG A 269
 None
 1.15A 4ntxA-5ti8A:
undetectable
4ntxC-5ti8A:
undetectable		 4ntxA-5ti8A:
21.84
4ntxC-5ti8A:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		4 GLU A 159
ASP A  36
ASP A 238
ASN A  93
 AMP  A 524 (-2.4A)
ZN  A 502 ( 2.1A)
ZN  A 502 ( 2.2A)
AMP  A 524 (-3.2A)
 1.30A 4ntxA-5veoA:
undetectable
4ntxC-5veoA:
0.4		 4ntxA-5veoA:
20.97
4ntxC-5veoA:
12.71
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.
5vev PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Neisseria
gonorrhoeae) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 GLU A 185
GLU A 192
ASN A 224
ARG A 215
 None
 1.41A 4ntxA-5vevA:
undetectable
4ntxC-5vevA:
undetectable		 4ntxA-5vevA:
24.35
4ntxC-5vevA:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wi5 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		4 GLU A 192
ASP A 309
GLU A 329
ARG A 125
 EPU  A 503 ( 4.9A)
EPU  A 503 (-2.8A)
None
EPU  A 503 (-4.0A)
 1.12A 4ntxA-5wi5A:
undetectable
4ntxC-5wi5A:
undetectable		 4ntxA-5wi5A:
20.62
4ntxC-5wi5A:
13.74
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.
5wsg PRE-MRNA-SPLICING
FACTOR
CEF1,PRE-MRNA-SPLICI
NG FACTOR
CEF1,CEF1,PRE-MRNA-S
PLICING FACTOR CEF1
PRE-MRNA-SPLICING
FACTOR
CLF1,PRE-MRNA-SPLICI
NG FACTOR CLF1,CLF1

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2)
no annotation 		4 ASP d  80
GLU d  75
ASN c 214
ARG d  44
 None
 1.28A 4ntxA-5wsgd:
3.3
4ntxC-5wsgd:
undetectable		 4ntxA-5wsgd:
11.48
4ntxC-5wsgd:
16.26
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.
6cg6 CADHERIN-10

(Mus musculus) 		no annotation 4 GLU A 103
ASP A 134
ASP A  98
GLU A  11
 None
CA  A 303 ( 3.4A)
CA  A 301 (-3.0A)
CA  A 302 ( 3.0A)
 1.38A 4ntxA-6cg6A:
undetectable
4ntxC-6cg6A:
undetectable		 4ntxA-6cg6A:
10.89
4ntxC-6cg6A:
21.31
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.
6cg7 CADHERIN-22

(Mus musculus) 		no annotation 4 GLU A 103
ASP A 134
ASP A  98
GLU A  11
 None
CA  A 302 ( 3.3A)
CA  A 302 (-3.1A)
CA  A 301 ( 3.1A)
 1.42A 4ntxA-6cg7A:
undetectable
4ntxC-6cg7A:
undetectable		 4ntxA-6cg7A:
11.56
4ntxC-6cg7A:
15.13
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.
6cgb CADHERIN-11,
CADHERIN-6 CHIMERA

(Mus musculus) 		no annotation 4 GLU A 103
ASP A 134
ASP A  98
GLU A  11
 None
CA  A 303 ( 3.3A)
CA  A 301 (-3.2A)
CA  A 301 ( 2.9A)
 1.35A 4ntxA-6cgbA:
undetectable
4ntxC-6cgbA:
undetectable		 4ntxA-6cgbA:
9.56
4ntxC-6cgbA:
20.66