SIMILAR PATTERNS OF AMINO ACIDS FOR 3NDV_C_AICC375

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 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 GLY A 126
GLU A  84
LEU A  53
ASN A  62
LEU A  83
 None
 1.31A 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 GLY A 700
LEU A 672
ARG A 677
LEU A 681
LEU A 668
 None
 1.32A 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 351
ASN A 158
ARG A 160
LEU A 253
LEU A 257
 None
None
None
CSO  A 287 ( 3.7A)
None
 1.37A 3ndvC-1g55A:
0.0
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.
1or5 ACYL CARRIER PROTEIN

(Streptomyces
roseofulvus) 		PF00550
(PP-binding) 		5 THR A  45
LEU A  49
LEU A  72
LEU A  11
LEU A  12
 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 GLY A 343
GLU A 345
LEU A 386
ASN A 363
LEU A 391
 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.
1vcv PROBABLE
DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Pyrobaculum
aerophilum) 		PF01791
(DeoC) 		5 THR A 120
GLU A 122
LEU A 125
ASN A 162
LEU A 133
 None
 1.23A 3ndvC-1vcvA:
undetectable
3ndvD-1vcvA:
undetectable		 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 GLU A 265
ASN A  60
SER A 228
LEU A  57
LEU A  14
 None
 1.13A 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 GLY A 344
LEU A 384
LEU A 347
LEU A 329
LEU A 326
 None
 0.85A 3ndvC-1z7dA:
0.0
3ndvD-1z7dA:
0.0		 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.
2bex RIBONUCLEASE
INHIBITOR

(Homo sapiens) 		PF13516
(LRR_6) 		5 GLY A 365
LEU A 336
SER A 369
LEU A 399
LEU A 360
 None
 1.04A 3ndvC-2bexA:
undetectable
3ndvD-2bexA:
0.0		 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 GLY A 365
LEU A 399
ARG A 372
SER A 369
LEU A 393
 None
 1.30A 3ndvC-2bexA:
undetectable
3ndvD-2bexA:
0.0		 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 GLY A 131
THR A 112
LEU A 114
LEU A 153
LEU A 109
 None
 1.06A 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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		5 THR A 350
LEU A 353
LEU A 748
LEU A 373
LEU A 756
 None
 1.31A 3ndvC-2eaeA:
undetectable
3ndvD-2eaeA:
undetectable		 3ndvC-2eaeA:
19.27
3ndvD-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 GLY A 669
GLU A 616
LEU A 673
LEU A 671
LEU A 615
 None
 1.01A 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 GLU A 159
LEU A 160
SER A 162
LEU A 222
LEU A 156
 None
 1.29A 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 GLY A 148
ASN A 107
SER A 105
LEU A 113
LEU A 101
 None
 1.20A 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.
2j3r ZGC 92866

(Danio rerio) 		PF04051
(TRAPP) 		5 GLY B 144
LEU B 137
ASN B 138
LEU B 123
LEU B 170
 None
None
None
NO3  B1177 (-4.0A)
None
 1.08A 3ndvC-2j3rB:
undetectable
3ndvD-2j3rB:
undetectable		 3ndvC-2j3rB:
18.82
3ndvD-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 137
ASN A 138
LEU A 130
LEU A  44
LEU A  48
 None
 1.31A 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 THR A 160
LEU A 157
ASN A 156
LEU A 132
LEU A 142
 None
 1.30A 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 THR A 160
LEU A 157
ASN A 156
LEU A 132
LEU A 162
 None
 1.40A 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 THR A 627
LEU A 459
LEU A 442
LEU A 507
LEU A 491
 None
 1.24A 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.
2po3 4-DEHYDRASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A1047
SER A1245
LEU A1053
LEU A1042
LEU A1038
 None
 1.20A 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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 GLY A1277
LEU A1211
LEU A1246
LEU A1268
LEU A1286
 None
 1.31A 3ndvC-2vdcA:
undetectable
3ndvD-2vdcA:
undetectable		 3ndvC-2vdcA:
13.97
3ndvD-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 GLY A 678
LEU A 120
ASN A 117
LEU A  56
LEU A  55
 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.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 GLY A 717
LEU A 689
ARG A 694
LEU A 698
LEU A 685
 None
EDO  A1755 ( 4.8A)
None
None
None
 1.35A 3ndvC-2xijA:
undetectable
3ndvD-2xijA:
undetectable		 3ndvC-2xijA:
19.58
3ndvD-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 GLY A 162
ASN A 236
SER A 177
LEU A 179
LEU A 123
 None
PLP  A1140 (-4.6A)
None
None
None
 1.33A 3ndvC-2y4rA:
undetectable
3ndvD-2y4rA:
undetectable		 3ndvC-2y4rA:
22.90
3ndvD-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.
2yfk ASPARTATE/ORNITHINE
CARBAMOYLTRANSFERASE

(Enterococcus
faecalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLU A 299
LEU A 300
ASN A 304
SER A 302
LEU A 296
 None
 1.39A 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 GLY A   8
LEU A  34
LEU A  80
LEU A  53
LEU A  18
 None
 1.29A 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.
2zt9 CYTOCHROME B6-F
COMPLEX SUBUNIT 5
CYTOCHROME B6-F
COMPLEX SUBUNIT 7

(Nostoc sp. PCC
7120) 		PF02529
(PetG)
PF08041
(PetM) 		5 GLY G   8
LEU F  10
SER F  12
LEU F   6
LEU F   5
 None
None
OPC  H  30 (-4.8A)
None
None
 1.15A 3ndvC-2zt9G:
undetectable
3ndvD-2zt9G:
undetectable		 3ndvC-2zt9G:
9.84
3ndvD-2zt9G:
9.84
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.
3c02 AQUAGLYCEROPORIN

(Plasmodium
falciparum) 		PF00230
(MIP) 		5 GLY A 230
LEU A 192
ARG A 196
ASN A  70
LEU A 144
 None
None
GOL  A 662 (-3.9A)
GOL  A 663 (-4.1A)
None
 1.14A 3ndvC-3c02A:
undetectable
3ndvD-3c02A:
undetectable		 3ndvC-3c02A:
22.45
3ndvD-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 GLY A 246
THR A 262
LEU A 179
LEU A 259
LEU A 249
 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
 1.21A 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  84
ASN A  85
LEU A  58
LEU A  68
LEU A  44
 None
 1.36A 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.
3goz LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN

(Legionella
pneumophila) 		no annotation 5 ASN A 144
ARG A 146
ASN A 148
LEU A  87
LEU A 136
 None
 1.19A 3ndvC-3gozA:
undetectable
3ndvD-3gozA:
undetectable		 3ndvC-3gozA:
23.65
3ndvD-3gozA:
23.65
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 907
ARG A 641
LEU A 926
LEU A 660
LEU A 663
 None
 1.40A 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.
3i47 ENOYL COA
HYDRATASE/ISOMERASE
(CROTONASE)

(Legionella
pneumophila) 		PF00378
(ECH_1) 		5 GLY A 113
ASN A  26
SER A  62
LEU A  91
LEU A  88
 None
 1.38A 3ndvC-3i47A:
undetectable
3ndvD-3i47A:
undetectable		 3ndvC-3i47A:
20.69
3ndvD-3i47A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ifq PLAKOGLOBIN

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 358
LEU A 393
ASN A 425
SER A 391
LEU A 376
 None
 1.16A 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 GLY A 345
LEU A 385
LEU A 348
LEU A 330
LEU A 327
 None
 0.85A 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.
3lq9 DNA-DAMAGE-INDUCIBLE
TRANSCRIPT 4 PROTEIN

(Homo sapiens) 		PF07809
(RTP801_C) 		5 GLY A 161
LEU A 100
SER A 103
LEU A 163
LEU A 177
 None
 1.39A 3ndvC-3lq9A:
undetectable
3ndvD-3lq9A:
undetectable		 3ndvC-3lq9A:
16.90
3ndvD-3lq9A:
16.90
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.
3mcz O-METHYLTRANSFERASE

(Burkholderia
thailandensis) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 THR A  96
LEU A 100
LEU A  46
LEU A  82
LEU A  83
 None
 0.92A 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.
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
 1.38A 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 GLY A 262
THR A 240
LEU A 241
LEU A 246
LEU A 252
 None
 1.31A 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.
3pe7 OLIGOGALACTURONATE
LYASE

(Yersinia
enterocolitica) 		PF14583
(Pectate_lyase22) 		5 LEU A  51
ASN A  36
ARG A  35
LEU A  95
LEU A 109
 None
None
None
None
ACT  A 393 (-4.0A)
 1.28A 3ndvC-3pe7A:
undetectable
3ndvD-3pe7A:
undetectable		 3ndvC-3pe7A:
21.05
3ndvD-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 3ndvC-3qokA:
undetectable
3ndvD-3qokA:
undetectable		 3ndvC-3qokA:
22.65
3ndvD-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 ASN A  14
SER A  78
LEU A  74
LEU A  67
LEU A  66
 None
 1.25A 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.
3rv2 S-ADENOSYLMETHIONINE
SYNTHASE

(Mycobacterium
marinum) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 THR A 146
GLU A 148
LEU A 231
LEU A 160
LEU A 152
 None
 1.30A 3ndvC-3rv2A:
undetectable
3ndvD-3rv2A:
undetectable		 3ndvC-3rv2A:
24.66
3ndvD-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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 THR A 350
ARG A 341
ASN A 343
LEU A 302
LEU A 303
 None
 1.40A 3ndvC-3sdqA:
undetectable
3ndvD-3sdqA:
undetectable		 3ndvC-3sdqA:
18.50
3ndvD-3sdqA:
18.50
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.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A 132
ASN A 178
LEU A 170
LEU A  86
LEU A 128
 None
 1.34A 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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 THR A 106
LEU A 433
ARG A 320
ASN A 431
LEU A 122
 None
None
FUM  A 701 (-3.2A)
None
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 GLY A 169
LEU A 146
LEU A 186
LEU A 137
LEU A 167
 None
 1.39A 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 GLY A 176
GLU A 134
LEU A 103
ASN A 112
LEU A 133
 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 GLY H 130
LEU H  36
ASN H  37
LEU H  71
LEU H  75
 None
 1.18A 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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 GLY A 274
GLU A 277
LEU A 231
ARG A 232
LEU A 272
 None
 1.22A 3ndvC-3zxsA:
undetectable
3ndvD-3zxsA:
undetectable		 3ndvC-3zxsA:
24.21
3ndvD-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 ARG A  66
ASN A  64
LEU A 324
LEU A 312
LEU A 309
 None
 1.27A 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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 THR A 957
LEU A 992
ASN A 792
SER A 990
LEU A 970
 None
 1.39A 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 GLY A  67
GLU A  71
ASN A  47
LEU A  41
LEU A  68
 None
 1.39A 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.
4ee1 DNA PRIMASE

(Staphylococcus
aureus) 		PF08275
(Toprim_N)
PF13155
(Toprim_2) 		5 GLY A 323
LEU A 290
LEU A 331
LEU A 264
LEU A 307
 None
 1.21A 3ndvC-4ee1A:
undetectable
3ndvD-4ee1A:
undetectable		 3ndvC-4ee1A:
22.60
3ndvD-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 GLY A 212
LEU A 219
LEU A 190
LEU A 277
LEU A 281
 None
 1.31A 3ndvC-4ewtA:
undetectable
3ndvD-4ewtA:
undetectable		 3ndvC-4ewtA:
24.58
3ndvD-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 GLY A 176
GLU A 134
LEU A 103
ASN A 112
LEU A 133
 None
 1.31A 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 GLY A 121
THR A 127
LEU A 128
LEU A   4
LEU A 101
 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 GLY A 408
ARG A 374
LEU A 346
LEU A 401
LEU A 402
 None
 1.35A 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 GLY A 690
LEU A 668
ASN A 669
LEU A 716
LEU A 686
 BLD  A 804 ( 3.8A)
None
None
None
None
 1.31A 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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 5 LEU A 785
ASN A 786
SER A 783
LEU A 781
LEU A 686
 None
 1.30A 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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		5 GLY A 346
THR A 315
LEU A 317
LEU A 349
LEU A 312
 None
 1.09A 3ndvC-4k17A:
undetectable
3ndvD-4k17A:
undetectable		 3ndvC-4k17A:
20.35
3ndvD-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.
4nef AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 GLY A 211
ASN A 220
LEU A 143
LEU A 217
LEU A 214
 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.
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
 1.35A 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 THR A 371
LEU A 368
ASN A 396
LEU A 311
LEU A 318
 None
 1.32A 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.
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
 1.38A 3ndvC-4qvgA:
undetectable
3ndvD-4qvgA:
undetectable		 3ndvC-4qvgA:
22.74
3ndvD-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 GLY A 726
LEU A 713
ASN A 757
LEU A 730
LEU A 723
 None
None
None
SAH  A1004 ( 4.9A)
None
 1.34A 3ndvC-4u7tA:
undetectable
3ndvD-4u7tA:
undetectable		 3ndvC-4u7tA:
22.93
3ndvD-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 GLY A 158
SER A  97
LEU A 106
LEU A 170
LEU A 171
 None
 1.22A 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.
4wp6 MRNA EXPORT PROTEIN

(Chaetomium
thermophilum) 		PF14580
(LRR_9) 		5 LEU A 217
ASN A 271
LEU A 292
LEU A 215
LEU A 214
 None
 1.20A 3ndvC-4wp6A:
undetectable
3ndvD-4wp6A:
undetectable		 3ndvC-4wp6A:
17.63
3ndvD-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 GLY E 181
ASN E 201
LEU E 252
LEU E 203
LEU E 179
 None
 1.33A 3ndvC-4wzbE:
undetectable
3ndvD-4wzbE:
undetectable		 3ndvC-4wzbE:
25.20
3ndvD-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 GLY B 112
LEU B 107
LEU A 100
LEU B 128
LEU B 125
 None
 1.02A 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.
4z5p CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 GLY A 246
LEU A 276
ARG A 278
LEU A  19
LEU A 252
 None
 1.11A 3ndvC-4z5pA:
undetectable
3ndvD-4z5pA:
undetectable		 3ndvC-4z5pA:
23.82
3ndvD-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 865
ARG A 685
ASN A 864
LEU A 734
LEU A 867
 None
 1.34A 3ndvC-5b7iA:
undetectable
3ndvD-5b7iA:
undetectable		 3ndvC-5b7iA:
16.16
3ndvD-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 GLY I  88
THR I  93
LEU I 133
SER I 137
LEU I 118
 None
 1.33A 3ndvC-5butI:
undetectable
3ndvD-5butI:
undetectable		 3ndvC-5butI:
24.39
3ndvD-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 THR I  93
LEU I 133
SER I 137
LEU I 212
LEU I 118
 None
 1.38A 3ndvC-5butI:
undetectable
3ndvD-5butI:
undetectable		 3ndvC-5butI:
24.39
3ndvD-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.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 5 THR A  28
ASN A  26
ASN A  23
SER A  59
LEU A  30
 None
 1.27A 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 GLY B 142
LEU B 107
LEU B 188
LEU B 131
LEU B 132
 None
 1.38A 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 THR A  28
ASN A  26
ASN A  23
SER A  59
LEU A  30
 None
 1.28A 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.
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 116
ARG B  74
LEU A 120
LEU A  82
LEU A  83
 None
 1.39A 3ndvC-5g5gA:
undetectable
3ndvD-5g5gA:
undetectable		 3ndvC-5g5gA:
20.95
3ndvD-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 GLY A 142
LEU A 103
LEU A  91
LEU A 105
LEU A  74
 None
 1.30A 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 GLY A 424
ARG A 417
ASN A 420
SER A 421
LEU A 444
 None
 1.32A 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.
5jxu DYP-TYPE PEROXIDASE
FAMILY

(Thermomonospora
curvata) 		PF04261
(Dyp_perox) 		5 THR A  79
LEU A  75
LEU A  73
LEU A  84
LEU A  87
 None
 1.27A 3ndvC-5jxuA:
undetectable
3ndvD-5jxuA:
undetectable		 3ndvC-5jxuA:
22.41
3ndvD-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 GLY A1005
LEU A 932
ASN A 936
SER A1010
LEU A 928
 None
 1.24A 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.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 GLY A 158
SER A  97
LEU A 106
LEU A 170
LEU A 171
 None
 1.31A 3ndvC-5neuA:
undetectable
3ndvD-5neuA:
undetectable		 3ndvC-5neuA:
23.01
3ndvD-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.
5ovo ADP-RIBOSYL-(DINITRO
GEN REDUCTASE)
HYDROLASE

(Azospirillum
brasilense) 		no annotation 5 GLY A  69
LEU A 133
SER A  65
LEU A 137
LEU A 287
 None
 1.39A 3ndvC-5ovoA:
undetectable
3ndvD-5ovoA:
undetectable		 3ndvC-5ovoA:
22.47
3ndvD-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
 0.39A 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 ASN D 341
SER D 338
LEU D 324
LEU D 402
LEU D 405
 None
 1.36A 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 GLY A 137
LEU A  76
ASN A  77
LEU A 113
LEU A 110
 None
 1.26A 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 THR A  28
ASN A  26
ASN A  23
SER A  59
LEU A  30
 None
 1.24A 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 GLY A  99
ASN A 203
SER A  96
LEU A 138
LEU A 141
 None
 1.15A 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 THR A  76
ASN A  74
ASN A  71
SER A 107
LEU A  78
 None
 1.28A 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  40
ASN A  41
LEU A  37
LEU A  79
LEU A  76
 None
 1.09A 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 GLY L 276
LEU L 422
SER L 542
LEU L 380
LEU L 273
 None
 1.19A 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 GLY A 647
LEU A 684
ARG A 710
LEU A 672
LEU A 665
 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 GLY A  62
LEU A 318
SER A 306
LEU A 308
LEU A 333
LEU A 334
 None
 1.49A 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 149
ASN N  96
LEU N 102
LEU N 194
LEU N 191
 None
 1.31A 3ndvC-6g72N:
undetectable
3ndvD-6g72N:
undetectable		 3ndvC-6g72N:
11.54
3ndvD-6g72N:
11.54