SIMILAR PATTERNS OF AMINO ACIDS FOR 3NDV_D_AICD374_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		5 GLY A  85
THR A 108
GLU A 144
ASN A 218
SER A 250
 None
 0.34A 3ndvC-1b65A:
52.0
3ndvD-1b65A:
51.9		 3ndvC-1b65A:
41.79
3ndvD-1b65A:
41.79
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.
1bqc PROTEIN
(BETA-MANNANASE)

(Thermobifida
fusca) 		PF00150
(Cellulase) 		5 LEU A  83
GLY A 126
GLU A  84
LEU A  53
ASN A  62
 None
 1.32A 3ndvC-1bqcA:
0.0
3ndvD-1bqcA:
0.0		 3ndvC-1bqcA:
21.76
3ndvD-1bqcA:
21.76
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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 LEU A 668
GLY A 700
LEU A 672
ARG A 677
LEU A 681
 None
 1.31A 3ndvC-1e1cA:
0.0
3ndvD-1e1cA:
0.0		 3ndvC-1e1cA:
20.96
3ndvD-1e1cA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 LEU A 253
LEU A 257
LEU A 351
ASN A 158
ARG A 160
 CSO  A 287 ( 3.7A)
None
None
None
None
 1.35A 3ndvC-1g55A:
undetectable
3ndvD-1g55A:
0.0		 3ndvC-1g55A:
22.91
3ndvD-1g55A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 LEU A  64
LEU A 171
GLY A  57
GLU A  60
LEU A 194
 None
 1.41A 3ndvC-1ir6A:
0.0
3ndvD-1ir6A:
0.0		 3ndvC-1ir6A:
25.00
3ndvD-1ir6A:
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.
1or5 ACYL CARRIER PROTEIN

(Streptomyces
roseofulvus) 		PF00550
(PP-binding) 		5 LEU A  11
LEU A  12
THR A  45
LEU A  49
LEU A  72
 None
 1.09A 3ndvC-1or5A:
undetectable
3ndvD-1or5A:
undetectable		 3ndvC-1or5A:
13.92
3ndvD-1or5A:
13.92
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.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		5 LEU A 391
GLY A 343
GLU A 345
LEU A 386
ASN A 363
 None
 1.39A 3ndvC-1pixA:
0.0
3ndvD-1pixA:
0.0		 3ndvC-1pixA:
24.09
3ndvD-1pixA:
24.09
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.
1vc4 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00218
(IGPS) 		5 LEU A 158
LEU A 133
GLU A 160
ASN A 182
SER A 215
 None
None
None
None
SO4  A2001 (-3.5A)
 1.37A 3ndvC-1vc4A:
undetectable
3ndvD-1vc4A:
undetectable		 3ndvC-1vc4A:
23.85
3ndvD-1vc4A:
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.
1vcv PROBABLE
DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Pyrobaculum
aerophilum) 		PF01791
(DeoC) 		5 LEU A 133
THR A 120
GLU A 122
LEU A 125
ASN A 162
 None
 1.25A 3ndvC-1vcvA:
0.0
3ndvD-1vcvA:
0.0		 3ndvC-1vcvA:
22.04
3ndvD-1vcvA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xvy SFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		5 LEU A  14
GLU A 265
ASN A  60
SER A 228
LEU A  57
 None
 1.16A 3ndvC-1xvyA:
0.0
3ndvD-1xvyA:
undetectable		 3ndvC-1xvyA:
22.96
3ndvD-1xvyA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7d ORNITHINE
AMINOTRANSFERASE

(Plasmodium
yoelii) 		PF00202
(Aminotran_3) 		5 LEU A 329
LEU A 326
GLY A 344
LEU A 384
LEU A 347
 None
 0.86A 3ndvC-1z7dA:
undetectable
3ndvD-1z7dA:
undetectable		 3ndvC-1z7dA:
22.55
3ndvD-1z7dA:
22.55
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.
2anl PLASMEPSIN IV

(Plasmodium
malariae) 		PF00026
(Asp) 		5 LEU A  31
LEU A  40
ASN A  39
SER A  37
LEU A 126
 None
 1.33A 3ndvC-2anlA:
undetectable
3ndvD-2anlA:
undetectable		 3ndvC-2anlA:
19.95
3ndvD-2anlA:
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.
2bex RIBONUCLEASE
INHIBITOR

(Homo sapiens) 		PF13516
(LRR_6) 		5 LEU A 360
GLY A 365
LEU A 336
SER A 369
LEU A 399
 None
 1.03A 3ndvC-2bexA:
undetectable
3ndvD-2bexA:
undetectable		 3ndvC-2bexA:
22.85
3ndvD-2bexA:
22.85
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.
2bex RIBONUCLEASE
INHIBITOR

(Homo sapiens) 		PF13516
(LRR_6) 		5 LEU A 393
GLY A 365
LEU A 399
ARG A 372
SER A 369
 None
 1.30A 3ndvC-2bexA:
undetectable
3ndvD-2bexA:
undetectable		 3ndvC-2bexA:
22.85
3ndvD-2bexA:
22.85
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.
2bm7 PENTAPEPTIDE REPEAT
FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF13599
(Pentapeptide_4) 		5 LEU A 109
GLY A 131
THR A 112
LEU A 114
LEU A 153
 None
 1.04A 3ndvC-2bm7A:
undetectable
3ndvD-2bm7A:
undetectable		 3ndvC-2bm7A:
22.19
3ndvD-2bm7A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h5g DELTA
1-PYRROLINE-5-CARBOX
YLATE SYNTHETASE

(Homo sapiens) 		PF00171
(Aldedh) 		5 LEU A 615
GLY A 669
GLU A 616
LEU A 673
LEU A 671
 None
 1.02A 3ndvC-2h5gA:
undetectable
3ndvD-2h5gA:
undetectable		 3ndvC-2h5gA:
23.08
3ndvD-2h5gA:
23.08
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.
2h6c CHLOROPHENOL
REDUCTION GENE K

(Desulfitobacterium
dehalogenans) 		PF13545
(HTH_Crp_2) 		5 LEU A 156
GLU A 159
LEU A 160
SER A 162
LEU A 222
 None
 1.31A 3ndvC-2h6cA:
undetectable
3ndvD-2h6cA:
undetectable		 3ndvC-2h6cA:
19.61
3ndvD-2h6cA:
19.61
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.
2in2 PICORNAIN 3C

(Rhinovirus B) 		PF00548
(Peptidase_C3) 		5 LEU A 113
LEU A 101
GLY A 148
ASN A 107
SER A 105
 None
 1.18A 3ndvC-2in2A:
undetectable
3ndvD-2in2A:
undetectable		 3ndvC-2in2A:
20.00
3ndvD-2in2A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j4b TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT
72/90-100 KDA

(Encephalitozoon
cuniculi) 		PF04494
(TFIID_NTD2) 		5 LEU A  44
LEU A  48
LEU A 137
ASN A 138
LEU A 130
 None
 1.33A 3ndvC-2j4bA:
undetectable
3ndvD-2j4bA:
undetectable		 3ndvC-2j4bA:
15.32
3ndvD-2j4bA:
15.32
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.
2o6w REPEAT FIVE RESIDUE
(RFR) PROTEIN OR
PENTAPEPTIDE REPEAT
PROTEIN

(Cyanothece) 		PF00805
(Pentapeptide) 		5 LEU A 142
THR A 160
LEU A 157
ASN A 156
LEU A 132
 None
 1.33A 3ndvC-2o6wA:
undetectable
3ndvD-2o6wA:
undetectable		 3ndvC-2o6wA:
18.70
3ndvD-2o6wA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o6w REPEAT FIVE RESIDUE
(RFR) PROTEIN OR
PENTAPEPTIDE REPEAT
PROTEIN

(Cyanothece) 		PF00805
(Pentapeptide) 		5 LEU A 162
LEU A 142
THR A 160
LEU A 157
ASN A 156
 None
 1.38A 3ndvC-2o6wA:
undetectable
3ndvD-2o6wA:
undetectable		 3ndvC-2o6wA:
18.70
3ndvD-2o6wA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		5 LEU A 507
LEU A 491
THR A 627
LEU A 459
LEU A 442
 None
 1.26A 3ndvC-2o8rA:
undetectable
3ndvD-2o8rA:
undetectable		 3ndvC-2o8rA:
19.01
3ndvD-2o8rA:
19.01
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		5 LEU A 313
GLY A 316
THR A 344
LEU A 464
SER A 468
 None
 1.32A 3ndvC-2pggA:
undetectable
3ndvD-2pggA:
undetectable		 3ndvC-2pggA:
18.81
3ndvD-2pggA:
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.
2po3 4-DEHYDRASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A1042
LEU A1038
LEU A1047
SER A1245
LEU A1053
 None
 1.27A 3ndvC-2po3A:
undetectable
3ndvD-2po3A:
undetectable		 3ndvC-2po3A:
24.06
3ndvD-2po3A:
24.06
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.
2pu3 ENDONUCLEASE I

(Aliivibrio
salmonicida) 		PF04231
(Endonuclease_1) 		5 LEU A 185
LEU A 175
ASN A 197
ARG A 172
ASN A 221
 None
 1.40A 3ndvC-2pu3A:
undetectable
3ndvD-2pu3A:
undetectable		 3ndvC-2pu3A:
18.28
3ndvD-2pu3A:
18.28
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.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 525
GLY A 523
THR A 464
ASN A 472
SER A 458
 None
None
None
None
MG  A4002 ( 4.8A)
 1.35A 3ndvC-2q5oA:
undetectable
3ndvD-2q5oA:
undetectable		 3ndvC-2q5oA:
23.50
3ndvD-2q5oA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qfl INOSITOL-1-MONOPHOSP
HATASE

(Escherichia
coli) 		PF00459
(Inositol_P) 		5 LEU A 153
GLY A 202
THR A 151
ARG A 146
SER A 143
 None
 1.38A 3ndvC-2qflA:
undetectable
3ndvD-2qflA:
undetectable		 3ndvC-2qflA:
21.52
3ndvD-2qflA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qv5 UNCHARACTERIZED
PROTEIN ATU2773

(Agrobacterium
fabrum) 		PF04748
(Polysacc_deac_2) 		5 LEU A 302
GLY A 388
THR A 272
GLU A 226
LEU A 228
 None
 1.38A 3ndvC-2qv5A:
undetectable
3ndvD-2qv5A:
undetectable		 3ndvC-2qv5A:
24.40
3ndvD-2qv5A:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 LEU A  56
LEU A  55
GLY A 678
LEU A 120
ASN A 117
 None
 1.20A 3ndvC-2vsaA:
undetectable
3ndvD-2vsaA:
undetectable		 3ndvC-2vsaA:
17.95
3ndvD-2vsaA:
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.
2woc ADP-RIBOSYL-[DINITRO
GEN REDUCTASE]
GLYCOHYDROLASE

(Rhodospirillum
rubrum) 		PF03747
(ADP_ribosyl_GH) 		5 LEU A 137
LEU A 287
GLY A  69
LEU A 133
SER A  65
 None
 1.39A 3ndvC-2wocA:
undetectable
3ndvD-2wocA:
undetectable		 3ndvC-2wocA:
23.88
3ndvD-2wocA:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfk ASPARTATE/ORNITHINE
CARBAMOYLTRANSFERASE

(Enterococcus
faecalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 296
GLU A 299
LEU A 300
ASN A 304
SER A 302
 None
 1.41A 3ndvC-2yfkA:
undetectable
3ndvD-2yfkA:
undetectable		 3ndvC-2yfkA:
22.72
3ndvD-2yfkA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzm D-ALANINE--D-ALANINE
LIGASE

(Thermus
thermophilus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 LEU A  53
LEU A  18
GLY A   8
LEU A  34
LEU A  80
 None
 1.30A 3ndvC-2yzmA:
undetectable
3ndvD-2yzmA:
undetectable		 3ndvC-2yzmA:
23.32
3ndvD-2yzmA:
23.32
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.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A  57
LEU A  81
LEU A  59
ASN A  62
SER A  86
 None
 1.39A 3ndvC-2z81A:
undetectable
3ndvD-2z81A:
undetectable		 3ndvC-2z81A:
22.20
3ndvD-2z81A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zt9 CYTOCHROME B6-F
COMPLEX SUBUNIT 5
CYTOCHROME B6-F
COMPLEX SUBUNIT 7

(Nostoc sp. PCC
7120) 		PF02529
(PetG)
PF08041
(PetM) 		5 LEU F   6
LEU F   5
GLY G   8
LEU F  10
SER F  12
 None
None
None
None
OPC  H  30 (-4.8A)
 1.16A 3ndvC-2zt9F:
undetectable
3ndvD-2zt9F:
undetectable		 3ndvC-2zt9F:
7.78
3ndvD-2zt9F:
7.78
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.
3b84 ZINC FINGER AND BTB
DOMAIN-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00651
(BTB) 		5 LEU A  30
LEU A  65
LEU A  44
SER A  48
LEU A  76
 None
 1.33A 3ndvC-3b84A:
undetectable
3ndvD-3b84A:
undetectable		 3ndvC-3b84A:
15.41
3ndvD-3b84A:
15.41
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.
3cky 2-HYDROXYMETHYL
GLUTARATE
DEHYDROGENASE

(Eubacterium
barkeri) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 LEU A 259
LEU A 249
GLY A 246
THR A 262
LEU A 179
 None
 1.33A 3ndvC-3ckyA:
undetectable
3ndvD-3ckyA:
undetectable		 3ndvC-3ckyA:
24.74
3ndvD-3ckyA:
24.74
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		5 GLY A 650
THR A 675
LEU A 467
ARG A 704
SER A 438
 None
 1.19A 3ndvC-3e1sA:
undetectable
3ndvD-3e1sA:
undetectable		 3ndvC-3e1sA:
22.63
3ndvD-3e1sA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g3b VARIABLE LYMPHOCYTE
RECEPTOR VLRB.2D

(Petromyzon
marinus) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A  68
LEU A  44
LEU A  84
ASN A  85
LEU A  58
 None
 1.38A 3ndvC-3g3bA:
undetectable
3ndvD-3g3bA:
undetectable		 3ndvC-3g3bA:
17.60
3ndvD-3g3bA:
17.60
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.
3ge9 THYMIDYLATE SYNTHASE
THYX

(Corynebacterium
glutamicum) 		PF02511
(Thy1) 		5 LEU A  73
LEU A  72
GLY A  40
ASN A  57
LEU A  35
 None
 1.10A 3ndvC-3ge9A:
undetectable
3ndvD-3ge9A:
undetectable		 3ndvC-3ge9A:
21.22
3ndvD-3ge9A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 660
LEU A 663
GLY A 907
ARG A 641
LEU A 926
 None
 1.38A 3ndvC-3hmjA:
undetectable
3ndvD-3hmjA:
undetectable		 3ndvC-3hmjA:
12.28
3ndvD-3hmjA:
12.28
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.
3ifq PLAKOGLOBIN

(Homo sapiens) 		PF00514
(Arm) 		5 LEU A 376
GLY A 358
LEU A 393
ASN A 425
SER A 391
 None
 1.17A 3ndvC-3ifqA:
undetectable
3ndvD-3ifqA:
undetectable		 3ndvC-3ifqA:
21.23
3ndvD-3ifqA:
21.23
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.
3lg0 ORNITHINE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00202
(Aminotran_3) 		5 LEU A 330
LEU A 327
GLY A 345
LEU A 385
LEU A 348
 None
 0.87A 3ndvC-3lg0A:
undetectable
3ndvD-3lg0A:
undetectable		 3ndvC-3lg0A:
21.03
3ndvD-3lg0A:
21.03
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.
3mcz O-METHYLTRANSFERASE

(Burkholderia
thailandensis) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 LEU A  82
LEU A  83
THR A  96
LEU A 100
LEU A  46
 None
 0.95A 3ndvC-3mczA:
undetectable
3ndvD-3mczA:
undetectable		 3ndvC-3mczA:
21.36
3ndvD-3mczA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgg METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF13847
(Methyltransf_31) 		5 GLY A  47
THR A  79
ASN A  86
SER A  64
LEU A  53
 None
 1.40A 3ndvC-3mggA:
undetectable
3ndvD-3mggA:
undetectable		 3ndvC-3mggA:
19.84
3ndvD-3mggA:
19.84
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLY A 425
ASN A 381
ASN A 352
SER A 326
LEU A 328
 None
 1.39A 3ndvC-3n05A:
undetectable
3ndvD-3n05A:
undetectable		 3ndvC-3n05A:
22.71
3ndvD-3n05A:
22.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nfb BETA-PEPTIDYL
AMINOPEPTIDASE

(Sphingosinicella
xenopeptidilytica) 		PF03576
(Peptidase_S58) 		8 GLY A  77
THR A 100
GLU A 133
LEU A 135
ASN A 137
ASN A 207
SER A 250
LEU A 287
 OAE  A 376 ( 3.7A)
OAE  A 376 ( 3.9A)
OAE  A 376 (-2.6A)
OAE  A 376 (-3.9A)
OAE  A 376 ( 3.8A)
OAE  A 376 (-3.9A)
OAE  A 376 (-2.6A)
SO4  A 378 ( 4.2A)
 0.14A 3ndvC-3nfbA:
68.1
3ndvD-3nfbA:
68.1		 3ndvC-3nfbA:
100.00
3ndvD-3nfbA:
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.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 252
GLY A 262
THR A 240
LEU A 241
LEU A 246
 None
 1.33A 3ndvC-3nzgA:
undetectable
3ndvD-3nzgA:
undetectable		 3ndvC-3nzgA:
23.73
3ndvD-3nzgA:
23.73
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.
3rio PTSGHI OPERON
ANTITERMINATOR

(Bacillus
subtilis) 		PF00874
(PRD)
PF03123
(CAT_RBD) 		5 LEU A  67
LEU A  66
ASN A  14
SER A  78
LEU A  74
 None
 1.24A 3ndvC-3rioA:
undetectable
3ndvD-3rioA:
undetectable		 3ndvC-3rioA:
19.35
3ndvD-3rioA:
19.35
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.
3u44 ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A

(Bacillus
subtilis) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 LEU A 871
LEU A 878
THR A 488
ASN A 477
SER A 480
 None
 1.36A 3ndvC-3u44A:
undetectable
3ndvD-3u44A:
undetectable		 3ndvC-3u44A:
15.52
3ndvD-3u44A:
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.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 LEU A  86
LEU A 128
GLY A 132
ASN A 178
LEU A 170
 None
 1.38A 3ndvC-3u5tA:
undetectable
3ndvD-3u5tA:
undetectable		 3ndvC-3u5tA:
23.18
3ndvD-3u5tA:
23.18
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.
3v6a APOPTOSIS INHIBITOR
5

(Homo sapiens) 		PF05918
(API5) 		5 LEU A 198
LEU A 204
GLY A 209
LEU A 216
LEU A 248
 None
 1.38A 3ndvC-3v6aA:
undetectable
3ndvD-3v6aA:
undetectable		 3ndvC-3v6aA:
22.04
3ndvD-3v6aA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vml 3-ISOPROPYLMALATE
DEHYDROGENASE

(Shewanella
benthica;
Shewanella
oneidensis) 		PF00180
(Iso_dh) 		5 GLY A  98
LEU A 138
ASN A 105
ASN A 245
LEU A  93
 None
 1.31A 3ndvC-3vmlA:
undetectable
3ndvD-3vmlA:
undetectable		 3ndvC-3vmlA:
23.89
3ndvD-3vmlA:
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 122
THR A 106
LEU A 433
ARG A 320
ASN A 431
 None
None
None
FUM  A 701 (-3.2A)
None
 1.28A 3ndvC-3vrbA:
undetectable
3ndvD-3vrbA:
undetectable		 3ndvC-3vrbA:
22.33
3ndvD-3vrbA:
22.33
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.
3wgc L-ALLO-THREONINE
ALDOLASE

(Aeromonas
jandaei) 		PF01212
(Beta_elim_lyase) 		5 LEU A 137
LEU A 167
GLY A 169
LEU A 146
LEU A 186
 None
 1.37A 3ndvC-3wgcA:
undetectable
3ndvD-3wgcA:
undetectable		 3ndvC-3wgcA:
24.82
3ndvD-3wgcA:
24.82
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.
3wsu BETA-MANNANASE

(Streptomyces
thermolilacinus) 		PF00150
(Cellulase) 		5 LEU A 133
GLY A 176
GLU A 134
LEU A 103
ASN A 112
 None
 1.32A 3ndvC-3wsuA:
undetectable
3ndvD-3wsuA:
undetectable		 3ndvC-3wsuA:
24.44
3ndvD-3wsuA:
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.
3x1l CMR6

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		5 LEU H  71
LEU H  75
GLY H 130
LEU H  36
ASN H  37
 None
 1.20A 3ndvC-3x1lH:
undetectable
3ndvD-3x1lH:
undetectable		 3ndvC-3x1lH:
21.50
3ndvD-3x1lH:
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.
4atw ALPHA-L-ARABINOFURAN
OSIDASE DOMAIN
PROTEIN

(Thermotoga
maritima) 		PF06964
(Alpha-L-AF_C) 		5 LEU A 312
LEU A 309
ARG A  66
ASN A  64
LEU A 324
 None
 1.25A 3ndvC-4atwA:
undetectable
3ndvD-4atwA:
undetectable		 3ndvC-4atwA:
22.00
3ndvD-4atwA:
22.00
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.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 LEU A 197
LEU A 224
GLY A 275
ARG A 186
ASN A 267
 None
 1.11A 3ndvC-4bziA:
undetectable
3ndvD-4bziA:
undetectable		 3ndvC-4bziA:
18.97
3ndvD-4bziA:
18.97
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 LEU A 472
GLY A 548
THR A 475
ARG A 498
LEU A 543
 None
None
None
GLC  A1742 ( 4.3A)
None
 1.29A 3ndvC-4c51A:
undetectable
3ndvD-4c51A:
undetectable		 3ndvC-4c51A:
20.30
3ndvD-4c51A:
20.30
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 LEU A 970
THR A 957
LEU A 992
ASN A 792
SER A 990
 None
 1.40A 3ndvC-4cbyA:
undetectable
3ndvD-4cbyA:
undetectable		 3ndvC-4cbyA:
23.72
3ndvD-4cbyA:
23.72
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.
4dmo N-HYDROXYARYLAMINE
O-ACETYLTRANSFERASE

(Bacillus cereus) 		PF00797
(Acetyltransf_2) 		5 LEU A  68
GLY A  67
GLU A  71
ASN A  47
LEU A  41
 None
 1.37A 3ndvC-4dmoA:
undetectable
3ndvD-4dmoA:
undetectable		 3ndvC-4dmoA:
21.51
3ndvD-4dmoA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fk9 CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF00150
(Cellulase) 		5 LEU A 133
GLY A 176
GLU A 134
LEU A 103
ASN A 112
 None
 1.32A 3ndvC-4fk9A:
undetectable
3ndvD-4fk9A:
undetectable		 3ndvC-4fk9A:
24.69
3ndvD-4fk9A:
24.69
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.
4g2t SSFS6

(Streptomyces
sp. SF2575) 		PF00201
(UDPGT)
PF06722
(DUF1205) 		5 LEU A 101
GLY A 121
THR A 127
LEU A 128
LEU A   4
 None
 1.15A 3ndvC-4g2tA:
undetectable
3ndvD-4g2tA:
undetectable		 3ndvC-4g2tA:
23.52
3ndvD-4g2tA:
23.52
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.
4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 LEU A 401
LEU A 402
GLY A 408
ARG A 374
LEU A 346
 None
 1.32A 3ndvC-4i1pA:
undetectable
3ndvD-4i1pA:
undetectable		 3ndvC-4i1pA:
22.32
3ndvD-4i1pA:
22.32
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.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 686
GLY A 690
LEU A 668
ASN A 669
LEU A 716
 None
BLD  A 804 ( 3.8A)
None
None
None
 1.34A 3ndvC-4j0mA:
undetectable
3ndvD-4j0mA:
undetectable		 3ndvC-4j0mA:
18.38
3ndvD-4j0mA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jot ENOYL-COA HYDRATASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF00378
(ECH_1) 		5 LEU A  69
GLY A 119
GLU A 143
LEU A 152
LEU A 124
 None
 1.25A 3ndvC-4jotA:
undetectable
3ndvD-4jotA:
undetectable		 3ndvC-4jotA:
24.93
3ndvD-4jotA:
24.93
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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 5 LEU A 686
LEU A 785
ASN A 786
SER A 783
LEU A 781
 None
 1.29A 3ndvC-4jzaA:
undetectable
3ndvD-4jzaA:
undetectable		 3ndvC-4jzaA:
18.21
3ndvD-4jzaA:
18.21
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.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		5 GLY A 321
LEU A 318
ARG A 317
ASN A 366
LEU A 248
 None
 1.38A 3ndvC-4lanA:
undetectable
3ndvD-4lanA:
undetectable		 3ndvC-4lanA:
23.97
3ndvD-4lanA:
23.97
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.
4nef AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 LEU A 217
LEU A 214
GLY A 211
ASN A 220
LEU A 143
 None
 1.39A 3ndvC-4nefA:
undetectable
3ndvD-4nefA:
undetectable		 3ndvC-4nefA:
22.51
3ndvD-4nefA:
22.51
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.
4nen INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF17205
(PSI_integrin) 		5 LEU B 131
LEU B 132
GLY B 142
LEU B 107
LEU B 188
 None
 1.41A 3ndvC-4nenB:
undetectable
3ndvD-4nenB:
undetectable		 3ndvC-4nenB:
19.14
3ndvD-4nenB:
19.14
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.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		5 GLY A 112
ASN A 218
ASN A  55
SER A 110
LEU A 150
 None
 1.40A 3ndvC-4q22A:
undetectable
3ndvD-4q22A:
undetectable		 3ndvC-4q22A:
23.78
3ndvD-4q22A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		5 GLY A 113
ASN A 218
ASN A  55
SER A 110
LEU A 150
 ACT  A 502 ( 4.6A)
None
None
None
None
 1.37A 3ndvC-4q22A:
undetectable
3ndvD-4q22A:
undetectable		 3ndvC-4q22A:
23.78
3ndvD-4q22A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q62 LEUCINE-RICH
REPEAT-AND COILED
COIL-CONTAINING
PROTEIN

(Legionella
pneumophila) 		PF13855
(LRR_8) 		5 LEU A 318
THR A 371
LEU A 368
ASN A 396
LEU A 311
 None
 1.33A 3ndvC-4q62A:
undetectable
3ndvD-4q62A:
undetectable		 3ndvC-4q62A:
19.86
3ndvD-4q62A:
19.86
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.
4r9n LMO0547 PROTEIN

(Listeria
monocytogenes) 		PF04198
(Sugar-bind) 		5 LEU A 196
LEU A 264
LEU A 171
ASN A 154
SER A 153
 None
 1.29A 3ndvC-4r9nA:
undetectable
3ndvD-4r9nA:
undetectable		 3ndvC-4r9nA:
21.95
3ndvD-4r9nA:
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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE

(Streptomyces
platensis) 		PF01263
(Aldose_epim) 		5 LEU A 182
GLY A 186
LEU A 184
ARG A 340
SER A 263
 None
 1.39A 3ndvC-4rnlA:
undetectable
3ndvD-4rnlA:
undetectable		 3ndvC-4rnlA:
27.86
3ndvD-4rnlA:
27.86
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A 170
LEU A 171
GLY A 158
SER A  97
LEU A 106
 None
 1.26A 3ndvC-4um8A:
undetectable
3ndvD-4um8A:
undetectable		 3ndvC-4um8A:
23.03
3ndvD-4um8A:
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.
4xhj ENVELOPE
GLYCOPROTEIN H
ENVELOPE
GLYCOPROTEIN L

(Human
alphaherpesvirus
3) 		PF02489
(Herpes_glycop_H)
PF05259
(Herpes_UL1)
PF17488
(Herpes_glycoH_C) 		5 LEU B 128
LEU B 125
GLY B 112
LEU B 107
LEU A 100
 None
 1.06A 3ndvC-4xhjB:
undetectable
3ndvD-4xhjB:
undetectable		 3ndvC-4xhjB:
16.51
3ndvD-4xhjB:
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.
5b2g HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		5 LEU B 211
LEU B 209
LEU B 215
ASN B 218
SER B 217
 None
 1.39A 3ndvC-5b2gB:
undetectable
3ndvD-5b2gB:
undetectable		 3ndvC-5b2gB:
16.62
3ndvD-5b2gB:
16.62
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.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 5 LEU A  30
THR A  28
ASN A  26
ASN A  23
SER A  59
 None
 1.24A 3ndvC-5duyA:
undetectable
3ndvD-5duyA:
undetectable		 3ndvC-5duyA:
19.82
3ndvD-5duyA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 LEU B 131
LEU B 132
GLY B 142
LEU B 107
LEU B 188
 None
 1.35A 3ndvC-5e6sB:
undetectable
3ndvD-5e6sB:
undetectable		 3ndvC-5e6sB:
20.77
3ndvD-5e6sB:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f8y GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 5 LEU A  30
THR A  28
ASN A  26
ASN A  23
SER A  59
 None
 1.26A 3ndvC-5f8yA:
undetectable
3ndvD-5f8yA:
undetectable		 3ndvC-5f8yA:
18.51
3ndvD-5f8yA:
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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		5 LEU A 565
LEU A 568
LEU A 186
SER A 177
LEU A 173
 None
 1.41A 3ndvC-5gjvA:
undetectable
3ndvD-5gjvA:
undetectable		 3ndvC-5gjvA:
11.58
3ndvD-5gjvA:
11.58
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 105
LEU A  74
GLY A 142
LEU A 103
LEU A  91
 None
 1.32A 3ndvC-5gmsA:
undetectable
3ndvD-5gmsA:
undetectable		 3ndvC-5gmsA:
25.00
3ndvD-5gmsA:
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.
5gtk BETAINE-ALDEHYDE
DEHYDROGENASE

(Bacillus cereus) 		PF00171
(Aldedh) 		5 LEU A 444
GLY A 424
ARG A 417
ASN A 420
SER A 421
 None
 1.31A 3ndvC-5gtkA:
undetectable
3ndvD-5gtkA:
undetectable		 3ndvC-5gtkA:
23.99
3ndvD-5gtkA:
23.99
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.
5hxg FLAGELLAR
TRANSCRIPTIONAL
REGULATOR FLHD
UNCHARACTERIZED
PROTEIN STM1697

(Salmonella
enterica) 		PF00563
(EAL)
PF05247
(FlhD) 		5 LEU A 146
LEU A 133
GLU A 107
LEU B  54
LEU A 156
 None
 1.40A 3ndvC-5hxgA:
undetectable
3ndvD-5hxgA:
undetectable		 3ndvC-5hxgA:
20.42
3ndvD-5hxgA:
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 LEU A 359
LEU A 356
GLY A 374
LEU A 423
LEU A 377
 None
 1.06A 3ndvC-5lh9A:
undetectable
3ndvD-5lh9A:
undetectable		 3ndvC-5lh9A:
22.83
3ndvD-5lh9A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 LEU A 928
GLY A1005
LEU A 932
ASN A 936
SER A1010
 None
 1.23A 3ndvC-5lq3A:
undetectable
3ndvD-5lq3A:
undetectable		 3ndvC-5lq3A:
17.53
3ndvD-5lq3A:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ovo ADP-RIBOSYL-(DINITRO
GEN REDUCTASE)
HYDROLASE

(Azospirillum
brasilense) 		no annotation 5 LEU A 137
LEU A 287
GLY A  69
LEU A 133
SER A  65
 None
 1.37A 3ndvC-5ovoA:
undetectable
3ndvD-5ovoA:
undetectable		 3ndvC-5ovoA:
22.47
3ndvD-5ovoA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5txf PHOSPHATIDYLCHOLINE-
STEROL
ACYLTRANSFERASE

(Homo sapiens) 		no annotation 5 LEU A 160
LEU A 163
GLY A 104
ASN A  34
LEU A  27
 None
 1.38A 3ndvC-5txfA:
undetectable
3ndvD-5txfA:
undetectable		 3ndvC-5txfA:
23.18
3ndvD-5txfA:
23.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tzb D-AMINOPEPTIDASE

(Burkholderia
sp. LK4) 		PF03576
(Peptidase_S58) 		5 GLY A  73
THR A  96
GLU A 127
ASN A 201
SER A 239
 None
 0.41A 3ndvC-5tzbA:
51.5
3ndvD-5tzbA:
51.4		 3ndvC-5tzbA:
40.14
3ndvD-5tzbA:
40.14
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.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU D 402
LEU D 405
ASN D 341
SER D 338
LEU D 324
 None
 1.37A 3ndvC-5uheD:
undetectable
3ndvD-5uheD:
undetectable		 3ndvC-5uheD:
15.47
3ndvD-5uheD:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v2m MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Enterococcus
faecalis) 		no annotation 5 LEU A 113
LEU A 110
GLY A 137
LEU A  76
ASN A  77
 None
 1.28A 3ndvC-5v2mA:
undetectable
3ndvD-5v2mA:
undetectable		 3ndvC-5v2mA:
22.98
3ndvD-5v2mA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 5 LEU A  30
THR A  28
ASN A  26
ASN A  23
SER A  59
 None
 1.22A 3ndvC-5vbkA:
undetectable
3ndvD-5vbkA:
undetectable		 3ndvC-5vbkA:
15.26
3ndvD-5vbkA:
15.26
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 5 LEU A 141
GLY A  99
ASN A 203
SER A  96
LEU A 138
 None
 1.14A 3ndvC-5xepA:
undetectable
3ndvD-5xepA:
undetectable		 3ndvC-5xepA:
12.18
3ndvD-5xepA:
12.18
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.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		5 LEU A  78
THR A  76
ASN A  74
ASN A  71
SER A 107
 None
 1.26A 3ndvC-5xg5A:
undetectable
3ndvD-5xg5A:
undetectable		 3ndvC-5xg5A:
19.94
3ndvD-5xg5A:
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 5 LEU A  79
LEU A  76
LEU A  40
ASN A  41
LEU A  37
 None
 1.07A 3ndvC-5xohA:
undetectable
3ndvD-5xohA:
undetectable		 3ndvC-5xohA:
13.95
3ndvD-5xohA:
13.95
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 LEU L 273
GLY L 276
LEU L 422
SER L 542
LEU L 380
 None
 1.20A 3ndvC-6ehsL:
undetectable
3ndvD-6ehsL:
undetectable		 3ndvC-6ehsL:
13.39
3ndvD-6ehsL:
13.39
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 LEU A 665
GLY A 647
LEU A 684
ARG A 710
LEU A 672
 None
 1.40A 3ndvC-6etzA:
undetectable
3ndvD-6etzA:
undetectable		 3ndvC-6etzA:
12.87
3ndvD-6etzA:
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.
6fu4 PROBABLE CHEMOTAXIS
TRANSDUCER

(Pseudomonas
aeruginosa) 		no annotation 6 LEU A 333
LEU A 334
GLY A  62
LEU A 318
SER A 306
LEU A 308
 None
 1.50A 3ndvC-6fu4A:
undetectable
3ndvD-6fu4A:
undetectable		 3ndvC-6fu4A:
12.64
3ndvD-6fu4A:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Mus musculus) 		no annotation 5 LEU N 194
LEU N 191
LEU N 149
ASN N  96
LEU N 102
 None
 1.28A 3ndvC-6g72N:
undetectable
3ndvD-6g72N:
undetectable		 3ndvC-6g72N:
11.54
3ndvD-6g72N:
11.54