SIMILAR PATTERNS OF AMINO ACIDS FOR 3NDV_B_AICB376_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
 0.33A 3ndvA-1b65A:
52.0
3ndvB-1b65A:
52.0		 3ndvA-1b65A:
41.79
3ndvB-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
 1.29A 3ndvA-1bqcA:
0.0
3ndvB-1bqcA:
0.0		 3ndvA-1bqcA:
21.76
3ndvB-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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 LEU A 211
THR A 195
LEU A 545
ARG A 401
ASN A 543
 None
None
None
FUM  A 700 (-3.2A)
None
 1.37A 3ndvA-1d4eA:
0.0
3ndvB-1d4eA:
0.0		 3ndvA-1d4eA:
21.61
3ndvB-1d4eA:
21.61
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.
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
 1.32A 3ndvA-1e1cA:
0.0
3ndvB-1e1cA:
0.0		 3ndvA-1e1cA:
20.96
3ndvB-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.
1fs2 SKP2

(Homo sapiens) 		PF12937
(F-box-like) 		5 LEU A 300
LEU A 327
LEU A 302
SER A 332
LEU A 314
 None
 1.16A 3ndvA-1fs2A:
0.0
3ndvB-1fs2A:
undetectable		 3ndvA-1fs2A:
19.74
3ndvB-1fs2A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 3ndvA-1or5A:
undetectable
3ndvB-1or5A:
undetectable		 3ndvA-1or5A:
13.92
3ndvB-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.
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
 1.23A 3ndvA-1vcvA:
undetectable
3ndvB-1vcvA:
undetectable		 3ndvA-1vcvA:
22.04
3ndvB-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
 1.15A 3ndvA-1xvyA:
undetectable
3ndvB-1xvyA:
0.0		 3ndvA-1xvyA:
22.96
3ndvB-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.
1z5v TUBULIN GAMMA-1
CHAIN

(Homo sapiens) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 LEU A 153
GLY A 146
LEU A  67
ASN A  15
LEU A  69
 None
GSP  A2466 (-4.0A)
None
None
None
 1.16A 3ndvA-1z5vA:
0.0
3ndvB-1z5vA:
0.0		 3ndvA-1z5vA:
19.39
3ndvB-1z5vA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 3ndvA-1z7dA:
0.0
3ndvB-1z7dA:
0.0		 3ndvA-1z7dA:
22.55
3ndvB-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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU I 102
THR I  90
LEU I 215
ASN I 217
LEU I 335
 None
 1.32A 3ndvA-2b4xI:
undetectable
3ndvB-2b4xI:
undetectable		 3ndvA-2b4xI:
22.15
3ndvB-2b4xI:
22.15
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.
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
 1.05A 3ndvA-2bexA:
undetectable
3ndvB-2bexA:
undetectable		 3ndvA-2bexA:
22.85
3ndvB-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
 1.31A 3ndvA-2bexA:
undetectable
3ndvB-2bexA:
undetectable		 3ndvA-2bexA:
22.85
3ndvB-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
 1.05A 3ndvA-2bm7A:
undetectable
3ndvB-2bm7A:
undetectable		 3ndvA-2bm7A:
22.19
3ndvB-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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 277
LEU A 280
LEU A 234
ASN A 235
LEU A 227
 None
 1.29A 3ndvA-2bvgA:
undetectable
3ndvB-2bvgA:
undetectable		 3ndvA-2bvgA:
25.27
3ndvB-2bvgA:
25.27
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		5 LEU A 373
LEU A 756
THR A 350
LEU A 353
LEU A 748
 None
 1.31A 3ndvA-2eaeA:
undetectable
3ndvB-2eaeA:
undetectable		 3ndvA-2eaeA:
19.27
3ndvB-2eaeA:
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.
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
 0.99A 3ndvA-2h5gA:
undetectable
3ndvB-2h5gA:
undetectable		 3ndvA-2h5gA:
23.08
3ndvB-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 3ndvA-2h6cA:
undetectable
3ndvB-2h6cA:
undetectable		 3ndvA-2h6cA:
19.61
3ndvB-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.
2j3r ZGC 92866

(Danio rerio) 		PF04051
(TRAPP) 		5 LEU B 170
GLY B 144
LEU B 137
ASN B 138
LEU B 123
 None
None
None
None
NO3  B1177 (-4.0A)
 1.06A 3ndvA-2j3rB:
undetectable
3ndvB-2j3rB:
undetectable		 3ndvA-2j3rB:
18.82
3ndvB-2j3rB:
18.82
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.
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
 1.34A 3ndvA-2j4bA:
undetectable
3ndvB-2j4bA:
undetectable		 3ndvA-2j4bA:
15.32
3ndvB-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) 		6 LEU A 112
LEU A  92
THR A 110
LEU A 107
ASN A  86
LEU A  82
 None
 1.49A 3ndvA-2o6wA:
undetectable
3ndvB-2o6wA:
undetectable		 3ndvA-2o6wA:
18.70
3ndvB-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 142
THR A 160
LEU A 157
ASN A 156
LEU A 132
 None
 1.28A 3ndvA-2o6wA:
undetectable
3ndvB-2o6wA:
undetectable		 3ndvA-2o6wA:
18.70
3ndvB-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
THR A 160
LEU A 157
ASN A 156
LEU A 132
 None
 1.39A 3ndvA-2o6wA:
undetectable
3ndvB-2o6wA:
undetectable		 3ndvA-2o6wA:
18.70
3ndvB-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
 1.23A 3ndvA-2o8rA:
undetectable
3ndvB-2o8rA:
undetectable		 3ndvA-2o8rA:
19.01
3ndvB-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.
2po3 4-DEHYDRASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A1042
LEU A1038
LEU A1047
SER A1245
LEU A1053
 None
 1.20A 3ndvA-2po3A:
undetectable
3ndvB-2po3A:
undetectable		 3ndvA-2po3A:
24.06
3ndvB-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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 LEU A1268
LEU A1286
GLY A1277
LEU A1211
LEU A1246
 None
 1.30A 3ndvA-2vdcA:
undetectable
3ndvB-2vdcA:
undetectable		 3ndvA-2vdcA:
13.97
3ndvB-2vdcA:
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.
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
 1.22A 3ndvA-2vsaA:
undetectable
3ndvB-2vsaA:
undetectable		 3ndvA-2vsaA:
17.95
3ndvB-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.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 LEU A 685
GLY A 717
LEU A 689
ARG A 694
LEU A 698
 None
None
EDO  A1755 ( 4.8A)
None
None
 1.37A 3ndvA-2xijA:
undetectable
3ndvB-2xijA:
undetectable		 3ndvA-2xijA:
19.58
3ndvB-2xijA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Pseudomonas
aeruginosa) 		PF01063
(Aminotran_4) 		5 LEU A 123
GLY A 162
ASN A 236
SER A 177
LEU A 179
 None
None
PLP  A1140 (-4.6A)
None
None
 1.33A 3ndvA-2y4rA:
undetectable
3ndvB-2y4rA:
undetectable		 3ndvA-2y4rA:
22.90
3ndvB-2y4rA:
22.90
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.
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)
 1.15A 3ndvA-2zt9F:
undetectable
3ndvB-2zt9F:
undetectable		 3ndvA-2zt9F:
7.78
3ndvB-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.
3c02 AQUAGLYCEROPORIN

(Plasmodium
falciparum) 		PF00230
(MIP) 		5 LEU A 144
GLY A 230
LEU A 192
ARG A 196
ASN A  70
 None
None
None
GOL  A 662 (-3.9A)
GOL  A 663 (-4.1A)
 1.12A 3ndvA-3c02A:
undetectable
3ndvB-3c02A:
undetectable		 3ndvA-3c02A:
22.45
3ndvB-3c02A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.34A 3ndvA-3ckyA:
undetectable
3ndvB-3ckyA:
undetectable		 3ndvA-3ckyA:
24.74
3ndvB-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
 1.24A 3ndvA-3e1sA:
undetectable
3ndvB-3e1sA:
undetectable		 3ndvA-3e1sA:
22.63
3ndvB-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
 1.36A 3ndvA-3g3bA:
undetectable
3ndvB-3g3bA:
undetectable		 3ndvA-3g3bA:
17.60
3ndvB-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.
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 3ndvA-3hmjA:
undetectable
3ndvB-3hmjA:
undetectable		 3ndvA-3hmjA:
12.28
3ndvB-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
 1.18A 3ndvA-3ifqA:
undetectable
3ndvB-3ifqA:
undetectable		 3ndvA-3ifqA:
21.23
3ndvB-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 3ndvA-3lg0A:
undetectable
3ndvB-3lg0A:
undetectable		 3ndvA-3lg0A:
21.03
3ndvB-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 3ndvA-3mczA:
undetectable
3ndvB-3mczA:
undetectable		 3ndvA-3mczA:
21.36
3ndvB-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.
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
 1.37A 3ndvA-3n05A:
undetectable
3ndvB-3n05A:
undetectable		 3ndvA-3n05A:
22.71
3ndvB-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)
 0.15A 3ndvA-3nfbA:
68.2
3ndvB-3nfbA:
68.2		 3ndvA-3nfbA:
100.00
3ndvB-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
 1.31A 3ndvA-3nzgA:
undetectable
3ndvB-3nzgA:
undetectable		 3ndvA-3nzgA:
23.73
3ndvB-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.
3pe7 OLIGOGALACTURONATE
LYASE

(Yersinia
enterocolitica) 		PF14583
(Pectate_lyase22) 		5 LEU A  95
LEU A 109
LEU A  51
ASN A  36
ARG A  35
 None
ACT  A 393 (-4.0A)
None
None
None
 1.31A 3ndvA-3pe7A:
undetectable
3ndvB-3pe7A:
undetectable		 3ndvA-3pe7A:
21.05
3ndvB-3pe7A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		5 GLY A 112
ASN A 218
ASN A  55
SER A 110
LEU A 150
 None
 1.39A 3ndvA-3qokA:
undetectable
3ndvB-3qokA:
undetectable		 3ndvA-3qokA:
22.65
3ndvB-3qokA:
22.65
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.
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
 1.25A 3ndvA-3rioA:
undetectable
3ndvB-3rioA:
undetectable		 3ndvA-3rioA:
19.35
3ndvB-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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 LEU A 349
LEU A 373
THR A 351
LEU A 354
LEU A 399
 None
 1.31A 3ndvA-3rreA:
undetectable
3ndvB-3rreA:
undetectable		 3ndvA-3rreA:
23.59
3ndvB-3rreA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rv2 S-ADENOSYLMETHIONINE
SYNTHASE

(Mycobacterium
marinum) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 LEU A 152
THR A 146
GLU A 148
LEU A 231
LEU A 160
 None
 1.32A 3ndvA-3rv2A:
undetectable
3ndvB-3rv2A:
undetectable		 3ndvA-3rv2A:
24.66
3ndvB-3rv2A:
24.66
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.
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
 1.33A 3ndvA-3u5tA:
undetectable
3ndvB-3u5tA:
undetectable		 3ndvA-3u5tA:
23.18
3ndvB-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.
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
 1.31A 3ndvA-3vrbA:
undetectable
3ndvB-3vrbA:
undetectable		 3ndvA-3vrbA:
22.33
3ndvB-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
 1.38A 3ndvA-3wgcA:
undetectable
3ndvB-3wgcA:
undetectable		 3ndvA-3wgcA:
24.82
3ndvB-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
 1.30A 3ndvA-3wsuA:
undetectable
3ndvB-3wsuA:
undetectable		 3ndvA-3wsuA:
24.44
3ndvB-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
 1.19A 3ndvA-3x1lH:
undetectable
3ndvB-3x1lH:
undetectable		 3ndvA-3x1lH:
21.50
3ndvB-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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 GLY A 274
GLU A 277
LEU A 231
ARG A 232
LEU A 272
 None
 1.24A 3ndvA-3zxsA:
undetectable
3ndvB-3zxsA:
undetectable		 3ndvA-3zxsA:
24.21
3ndvB-3zxsA:
24.21
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.
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
 1.28A 3ndvA-4atwA:
undetectable
3ndvB-4atwA:
undetectable		 3ndvA-4atwA:
22.00
3ndvB-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.
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
 1.39A 3ndvA-4cbyA:
undetectable
3ndvB-4cbyA:
undetectable		 3ndvA-4cbyA:
23.72
3ndvB-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
 1.39A 3ndvA-4dmoA:
undetectable
3ndvB-4dmoA:
undetectable		 3ndvA-4dmoA:
21.51
3ndvB-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.
4ee1 DNA PRIMASE

(Staphylococcus
aureus) 		PF08275
(Toprim_N)
PF13155
(Toprim_2) 		5 LEU A 264
LEU A 307
GLY A 323
LEU A 290
LEU A 331
 None
 1.21A 3ndvA-4ee1A:
undetectable
3ndvB-4ee1A:
undetectable		 3ndvA-4ee1A:
22.60
3ndvB-4ee1A:
22.60
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.
4ewt PEPTIDASE,
M20/M25/M40 FAMILY

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 277
LEU A 281
GLY A 212
LEU A 219
LEU A 190
 None
 1.30A 3ndvA-4ewtA:
undetectable
3ndvB-4ewtA:
undetectable		 3ndvA-4ewtA:
24.58
3ndvB-4ewtA:
24.58
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.
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
 1.29A 3ndvA-4fk9A:
undetectable
3ndvB-4fk9A:
undetectable		 3ndvA-4fk9A:
24.69
3ndvB-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
 1.14A 3ndvA-4g2tA:
undetectable
3ndvB-4g2tA:
undetectable		 3ndvA-4g2tA:
23.52
3ndvB-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.
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
 1.33A 3ndvA-4j0mA:
undetectable
3ndvB-4j0mA:
undetectable		 3ndvA-4j0mA:
18.38
3ndvB-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.
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 3ndvA-4jzaA:
undetectable
3ndvB-4jzaA:
undetectable		 3ndvA-4jzaA:
18.21
3ndvB-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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		5 LEU A 312
GLY A 346
THR A 315
LEU A 317
LEU A 349
 None
 1.08A 3ndvA-4k17A:
undetectable
3ndvB-4k17A:
undetectable		 3ndvA-4k17A:
20.35
3ndvB-4k17A:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 LEU B  93
LEU B  69
LEU B 109
ASN B  86
LEU B  83
 None
None
None
GAL  B 301 (-3.9A)
None
 1.34A 3ndvA-4k5uB:
undetectable
3ndvB-4k5uB:
undetectable		 3ndvA-4k5uB:
22.07
3ndvB-4k5uB:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nef AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 LEU A 217
LEU A 214
GLY A 211
ASN A 220
LEU A 143
 None
 1.38A 3ndvA-4nefA:
undetectable
3ndvB-4nefA:
undetectable		 3ndvA-4nefA:
22.51
3ndvB-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.
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
 1.34A 3ndvA-4q22A:
undetectable
3ndvB-4q22A:
undetectable		 3ndvA-4q22A:
23.78
3ndvB-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
 1.38A 3ndvA-4q22A:
undetectable
3ndvB-4q22A:
undetectable		 3ndvA-4q22A:
23.78
3ndvB-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
 1.32A 3ndvA-4q62A:
undetectable
3ndvB-4q62A:
undetectable		 3ndvA-4q62A:
19.86
3ndvB-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.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A  24
THR A  62
LEU A  59
ARG A  52
LEU A  48
 None
 1.33A 3ndvA-4qvgA:
undetectable
3ndvB-4qvgA:
undetectable		 3ndvA-4qvgA:
22.74
3ndvB-4qvgA:
22.74
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.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 LEU A 723
GLY A 726
LEU A 713
ASN A 757
LEU A 730
 None
None
None
None
SAH  A1004 ( 4.9A)
 1.35A 3ndvA-4u7tA:
undetectable
3ndvB-4u7tA:
undetectable		 3ndvA-4u7tA:
22.93
3ndvB-4u7tA:
22.93
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.
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
 1.20A 3ndvA-4um8A:
undetectable
3ndvB-4um8A:
undetectable		 3ndvA-4um8A:
23.03
3ndvB-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.
4wp6 MRNA EXPORT PROTEIN

(Chaetomium
thermophilum) 		PF14580
(LRR_9) 		5 LEU A 215
LEU A 214
LEU A 217
ASN A 271
LEU A 292
 None
 1.21A 3ndvA-4wp6A:
undetectable
3ndvB-4wp6A:
undetectable		 3ndvA-4wp6A:
17.63
3ndvB-4wp6A:
17.63
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.
4wzb NITROGENASE IRON
PROTEIN 1

(Azotobacter
vinelandii) 		PF00142
(Fer4_NifH) 		5 LEU E 203
LEU E 179
GLY E 181
ASN E 201
LEU E 252
 None
 1.31A 3ndvA-4wzbE:
undetectable
3ndvB-4wzbE:
undetectable		 3ndvA-4wzbE:
25.20
3ndvB-4wzbE:
25.20
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.
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
 1.01A 3ndvA-4xhjB:
undetectable
3ndvB-4xhjB:
undetectable		 3ndvA-4xhjB:
16.51
3ndvB-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.
4z5p CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 LEU A 252
GLY A 246
LEU A 276
ARG A 278
LEU A  19
 None
 1.11A 3ndvA-4z5pA:
undetectable
3ndvB-4z5pA:
undetectable		 3ndvA-4z5pA:
23.82
3ndvB-4z5pA:
23.82
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 867
LEU A 865
ARG A 685
ASN A 864
LEU A 734
 None
 1.36A 3ndvA-5b7iA:
undetectable
3ndvB-5b7iA:
undetectable		 3ndvA-5b7iA:
16.16
3ndvB-5b7iA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN B

(Bacillus
subtilis) 		PF02386
(TrkH) 		5 LEU I 118
GLY I  88
THR I  93
LEU I 133
SER I 137
 None
 1.35A 3ndvA-5butI:
undetectable
3ndvB-5butI:
undetectable		 3ndvA-5butI:
24.39
3ndvB-5butI:
24.39
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN B

(Bacillus
subtilis) 		PF02386
(TrkH) 		5 LEU I 118
THR I  93
LEU I 133
SER I 137
LEU I 212
 None
 1.40A 3ndvA-5butI:
undetectable
3ndvB-5butI:
undetectable		 3ndvA-5butI:
24.39
3ndvB-5butI:
24.39
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.
5chh ARAC FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF12625
(Arabinose_bd)
PF12833
(HTH_18) 		5 GLY A 229
GLU A 269
LEU A 266
ARG A 263
LEU A 255
 None
 1.15A 3ndvA-5chhA:
undetectable
3ndvB-5chhA:
undetectable		 3ndvA-5chhA:
24.34
3ndvB-5chhA:
24.34
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.
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
 1.27A 3ndvA-5duyA:
undetectable
3ndvB-5duyA:
undetectable		 3ndvA-5duyA:
19.82
3ndvB-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
 1.37A 3ndvA-5e6sB:
undetectable
3ndvB-5e6sB:
undetectable		 3ndvA-5e6sB:
20.77
3ndvB-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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 LEU A 837
LEU A 841
LEU A1035
ASN A1036
LEU A1028
 None
 1.15A 3ndvA-5eawA:
undetectable
3ndvB-5eawA:
undetectable		 3ndvA-5eawA:
17.08
3ndvB-5eawA:
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.
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
 1.29A 3ndvA-5f8yA:
undetectable
3ndvB-5f8yA:
undetectable		 3ndvA-5f8yA:
18.51
3ndvB-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.
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 2

(Homo sapiens) 		PF04054
(Not1)
PF04153
(NOT2_3_5) 		5 LEU A2309
LEU B 360
GLU A2310
ASN A2130
LEU B 378
 None
 1.38A 3ndvA-5fu7A:
undetectable
3ndvB-5fu7A:
undetectable		 3ndvA-5fu7A:
21.96
3ndvB-5fu7A:
21.96
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT

(Escherichia
coli) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		5 LEU A  82
LEU A  83
LEU A 116
ARG B  74
LEU A 120
 None
 1.38A 3ndvA-5g5gA:
undetectable
3ndvB-5g5gA:
undetectable		 3ndvA-5g5gA:
20.95
3ndvB-5g5gA:
20.95
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 105
LEU A  74
GLY A 142
LEU A 103
LEU A  91
 None
 1.30A 3ndvA-5gmsA:
undetectable
3ndvB-5gmsA:
undetectable		 3ndvA-5gmsA:
25.00
3ndvB-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
 1.32A 3ndvA-5gtkA:
undetectable
3ndvB-5gtkA:
undetectable		 3ndvA-5gtkA:
23.99
3ndvB-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.
5jxu DYP-TYPE PEROXIDASE
FAMILY

(Thermomonospora
curvata) 		PF04261
(Dyp_perox) 		5 LEU A  84
LEU A  87
THR A  79
LEU A  75
LEU A  73
 None
 1.25A 3ndvA-5jxuA:
undetectable
3ndvB-5jxuA:
undetectable		 3ndvA-5jxuA:
22.41
3ndvB-5jxuA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 LEU A 928
GLY A1005
LEU A 932
ASN A 936
SER A1010
 None
 1.23A 3ndvA-5lq3A:
undetectable
3ndvB-5lq3A:
undetectable		 3ndvA-5lq3A:
17.53
3ndvB-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.
5neu 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
 1.27A 3ndvA-5neuA:
undetectable
3ndvB-5neuA:
undetectable		 3ndvA-5neuA:
23.01
3ndvB-5neuA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ns3 50S RIBOSOMAL
PROTEIN L5

(Thermus
thermophilus) 		no annotation 5 LEU A 111
LEU A 107
GLY A 177
LEU A 120
LEU A 173
 None
 1.33A 3ndvA-5ns3A:
undetectable
3ndvB-5ns3A:
undetectable		 3ndvA-5ns3A:
13.15
3ndvB-5ns3A:
13.15
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.
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
 1.40A 3ndvA-5ovoA:
undetectable
3ndvB-5ovoA:
undetectable		 3ndvA-5ovoA:
22.47
3ndvB-5ovoA:
22.47
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
 0.40A 3ndvA-5tzbA:
51.5
3ndvB-5tzbA:
51.6		 3ndvA-5tzbA:
40.14
3ndvB-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 3ndvA-5uheD:
undetectable
3ndvB-5uheD:
undetectable		 3ndvA-5uheD:
15.47
3ndvB-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
 1.26A 3ndvA-5v2mA:
undetectable
3ndvB-5v2mA:
undetectable		 3ndvA-5v2mA:
22.98
3ndvB-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
 1.25A 3ndvA-5vbkA:
undetectable
3ndvB-5vbkA:
undetectable		 3ndvA-5vbkA:
15.26
3ndvB-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
 1.15A 3ndvA-5xepA:
undetectable
3ndvB-5xepA:
undetectable		 3ndvA-5xepA:
12.18
3ndvB-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.
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
 1.12A 3ndvA-5xohA:
undetectable
3ndvB-5xohA:
undetectable		 3ndvA-5xohA:
13.95
3ndvB-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 3ndvA-6ehsL:
undetectable
3ndvB-6ehsL:
undetectable		 3ndvA-6ehsL:
13.39
3ndvB-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
 1.38A 3ndvA-6etzA:
undetectable
3ndvB-6etzA:
undetectable		 3ndvA-6etzA:
12.87
3ndvB-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.
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
 1.31A 3ndvA-6g72N:
undetectable
3ndvB-6g72N:
undetectable		 3ndvA-6g72N:
11.54
3ndvB-6g72N:
11.54