SIMILAR PATTERNS OF AMINO ACIDS FOR 3NDV_A_AICA375

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
0.35A 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 GLY A 126
GLU A  84
LEU A  53
ASN A  62
LEU A  83
None
1.32A 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 THR A 195
LEU A 545
ARG A 401
ASN A 543
LEU A 211
None
None
FUM  A 700 (-3.2A)
None
None
1.32A 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 GLY A 700
LEU A 672
ARG A 677
LEU A 681
LEU A 668
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.
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
1.36A 3ndvA-1g55A:
0.0
3ndvB-1g55A:
0.0
3ndvA-1g55A:
22.91
3ndvB-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.
1ksh ARF-LIKE PROTEIN 2

(Mus musculus)
PF00025
(Arf)
5 GLY A  86
LEU A  62
ASN A  63
LEU A 173
LEU A 172
None
1.40A 3ndvA-1kshA:
0.0
3ndvB-1kshA:
0.0
3ndvA-1kshA:
19.26
3ndvB-1kshA:
19.26
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.
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
1.08A 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.
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
1.38A 3ndvA-1pixA:
0.0
3ndvB-1pixA:
0.0
3ndvA-1pixA:
24.09
3ndvB-1pixA:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vc4 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE


(Thermus
thermophilus)
PF00218
(IGPS)
5 GLU A 160
ASN A 182
SER A 215
LEU A 158
LEU A 133
None
None
SO4  A2001 (-3.5A)
None
None
1.37A 3ndvA-1vc4A:
undetectable
3ndvB-1vc4A:
undetectable
3ndvA-1vc4A:
23.85
3ndvB-1vc4A:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcv PROBABLE
DEOXYRIBOSE-PHOSPHAT
E ALDOLASE


(Pyrobaculum
aerophilum)
PF01791
(DeoC)
5 THR A 120
GLU A 122
LEU A 125
ASN A 162
LEU A 133
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 GLU A 265
ASN A  60
SER A 228
LEU A  57
LEU A  14
None
1.16A 3ndvA-1xvyA:
undetectable
3ndvB-1xvyA:
undetectable
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.
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
0.87A 3ndvA-1z7dA:
undetectable
3ndvB-1z7dA:
undetectable
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 THR I  90
LEU I 215
ASN I 217
LEU I 335
LEU I 102
None
1.33A 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 GLY A 365
LEU A 336
SER A 369
LEU A 399
LEU A 360
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 GLY A 365
LEU A 399
ARG A 372
SER A 369
LEU A 393
None
1.30A 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 GLY A 131
THR A 112
LEU A 114
LEU A 153
LEU A 109
None
1.04A 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.
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
1.04A 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 GLU A 159
LEU A 160
SER A 162
LEU A 222
LEU A 156
None
1.32A 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.
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 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)
5 THR A 160
LEU A 157
ASN A 156
LEU A 132
LEU A 142
None
1.32A 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 THR A 160
LEU A 157
ASN A 156
LEU A 162
LEU A 142
None
1.38A 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 THR A 627
LEU A 459
LEU A 442
LEU A 507
LEU A 491
None
1.25A 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 A1047
SER A1245
LEU A1053
LEU A1042
LEU A1038
None
1.26A 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.
2qfl INOSITOL-1-MONOPHOSP
HATASE


(Escherichia
coli)
PF00459
(Inositol_P)
5 GLY A 202
THR A 151
ARG A 146
SER A 143
LEU A 153
None
1.39A 3ndvA-2qflA:
undetectable
3ndvB-2qflA:
undetectable
3ndvA-2qflA:
21.52
3ndvB-2qflA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qv5 UNCHARACTERIZED
PROTEIN ATU2773


(Agrobacterium
fabrum)
PF04748
(Polysacc_deac_2)
5 GLY A 388
THR A 272
GLU A 226
LEU A 228
LEU A 302
None
1.37A 3ndvA-2qv5A:
undetectable
3ndvB-2qv5A:
undetectable
3ndvA-2qv5A:
24.40
3ndvB-2qv5A:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus)
PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2)
5 GLY A 678
LEU A 120
ASN A 117
LEU A  56
LEU A  55
None
1.21A 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 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 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.
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
1.30A 3ndvA-2yzmA:
undetectable
3ndvB-2yzmA:
undetectable
3ndvA-2yzmA:
23.32
3ndvB-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
1.18A 3ndvA-2zt9G:
undetectable
3ndvB-2zt9G:
undetectable
3ndvA-2zt9G:
9.84
3ndvB-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.
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 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
1.19A 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.
3fww BIFUNCTIONAL PROTEIN
GLMU


(Yersinia pestis)
PF00132
(Hexapep)
PF12804
(NTP_transf_3)
5 GLY A 225
GLU A 224
ARG A 237
LEU A 232
LEU A 108
None
1.27A 3ndvA-3fwwA:
undetectable
3ndvB-3fwwA:
undetectable
3ndvA-3fwwA:
24.22
3ndvB-3fwwA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.37A 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.
3ge9 THYMIDYLATE SYNTHASE
THYX


(Corynebacterium
glutamicum)
PF02511
(Thy1)
5 GLY A  40
ASN A  57
LEU A  35
LEU A  73
LEU A  72
None
1.09A 3ndvA-3ge9A:
undetectable
3ndvB-3ge9A:
undetectable
3ndvA-3ge9A:
21.22
3ndvB-3ge9A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA


(Saccharomyces
cerevisiae)
PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C)
5 GLY A 907
ARG A 641
LEU A 926
LEU A 660
LEU A 663
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 GLY A 358
LEU A 393
ASN A 425
SER A 391
LEU A 376
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 GLY A 345
LEU A 385
LEU A 348
LEU A 330
LEU A 327
None
0.86A 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 THR A  96
LEU A 100
LEU A  46
LEU A  82
LEU A  83
None
0.93A 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.
3mgg METHYLTRANSFERASE

(Methanosarcina
mazei)
PF13847
(Methyltransf_31)
5 GLY A  47
THR A  79
ASN A  86
SER A  64
LEU A  53
None
1.40A 3ndvA-3mggA:
undetectable
3ndvB-3mggA:
undetectable
3ndvA-3mggA:
19.84
3ndvB-3mggA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE


(Streptomyces
avermitilis)
PF00795
(CN_hydrolase)
PF02540
(NAD_synthase)
5 GLY A 425
ASN A 381
ASN A 352
SER A 326
LEU A 328
None
1.38A 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.
3nnk UREIDOGLYCINE-GLYOXY
LATE
AMINOTRANSFERASE


(Klebsiella
pneumoniae)
PF00266
(Aminotran_5)
5 GLY A 305
LEU A 311
LEU A 325
LEU A 383
LEU A 380
None
1.40A 3ndvA-3nnkA:
undetectable
3ndvB-3nnkA:
undetectable
3ndvA-3nnkA:
26.07
3ndvB-3nnkA:
26.07
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.
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
1.33A 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.
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
1.24A 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.
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
1.41A 3ndvA-3sdqA:
undetectable
3ndvB-3sdqA:
undetectable
3ndvA-3sdqA:
18.50
3ndvB-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.
3u44 ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A


(Bacillus
subtilis)
PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C)
5 THR A 488
ASN A 477
SER A 480
LEU A 871
LEU A 878
None
1.36A 3ndvA-3u44A:
undetectable
3ndvB-3u44A:
undetectable
3ndvA-3u44A:
15.52
3ndvB-3u44A:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE


(Sinorhizobium
meliloti)
PF13561
(adh_short_C2)
5 GLY A 132
ASN A 178
LEU A 170
LEU A  86
LEU A 128
None
1.38A 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.
3v6a APOPTOSIS INHIBITOR
5


(Homo sapiens)
PF05918
(API5)
5 GLY A 209
LEU A 216
LEU A 248
LEU A 198
LEU A 204
None
1.37A 3ndvA-3v6aA:
undetectable
3ndvB-3v6aA:
undetectable
3ndvA-3v6aA:
22.04
3ndvB-3v6aA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.27A 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 GLY A 169
LEU A 146
LEU A 186
LEU A 137
LEU A 167
None
1.39A 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 GLY A 176
GLU A 134
LEU A 103
ASN A 112
LEU A 133
None
1.33A 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 GLY H 130
LEU H  36
ASN H  37
LEU H  71
LEU H  75
None
1.18A 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
1.23A 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 ARG A  66
ASN A  64
LEU A 324
LEU A 312
LEU A 309
None
1.25A 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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis)
PF00141
(peroxidase)
5 GLY A 548
THR A 475
ARG A 498
LEU A 543
LEU A 472
None
None
GLC  A1742 ( 4.3A)
None
None
1.30A 3ndvA-4c51A:
undetectable
3ndvB-4c51A:
undetectable
3ndvA-4c51A:
20.30
3ndvB-4c51A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cby HISTONE DEACETYLASE
4


(Homo sapiens)
PF00850
(Hist_deacetyl)
5 THR A 957
LEU A 992
ASN A 792
SER A 990
LEU A 970
None
1.40A 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 GLY A  67
GLU A  71
ASN A  47
LEU A  41
LEU A  68
None
1.36A 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.
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
1.32A 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 GLY A 121
THR A 127
LEU A 128
LEU A   4
LEU A 101
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.
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
1.32A 3ndvA-4i1pA:
undetectable
3ndvB-4i1pA:
undetectable
3ndvA-4i1pA:
22.32
3ndvB-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
1.33A 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.
4jot ENOYL-COA HYDRATASE,
PUTATIVE


(Deinococcus
radiodurans)
PF00378
(ECH_1)
5 GLY A 119
GLU A 143
LEU A 152
LEU A 124
LEU A  69
None
1.27A 3ndvA-4jotA:
undetectable
3ndvB-4jotA:
undetectable
3ndvA-4jotA:
24.93
3ndvB-4jotA:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jza UNCHARACTERIZED
PROTEIN


(Legionella
longbeachae)
no annotation 5 LEU A 785
ASN A 786
SER A 783
LEU A 781
LEU A 686
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.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE


(Cordyceps
militaris)
PF04909
(Amidohydro_2)
5 GLY A 321
LEU A 318
ARG A 317
ASN A 366
LEU A 248
None
1.38A 3ndvA-4lanA:
undetectable
3ndvB-4lanA:
undetectable
3ndvA-4lanA:
23.97
3ndvB-4lanA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nef AQUAPORIN-2

(Homo sapiens)
PF00230
(MIP)
5 GLY A 211
ASN A 220
LEU A 143
LEU A 217
LEU A 214
None
1.40A 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.
4nmw PIMELYL-[ACYL-CARRIE
R PROTEIN] METHYL
ESTER ESTERASE


(Salmonella
enterica)
PF00561
(Abhydrolase_1)
5 GLY A  80
LEU A  83
SER A 107
LEU A  47
LEU A  19
None
CL  A 301 (-4.4A)
None
None
None
1.36A 3ndvA-4nmwA:
undetectable
3ndvB-4nmwA:
undetectable
3ndvA-4nmwA:
21.99
3ndvB-4nmwA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens)
PF01229
(Glyco_hydro_39)
5 LEU A 566
ARG A 597
LEU A 604
LEU A 564
LEU A 557
None
None
None
None
GOL  A 910 ( 4.8A)
1.41A 3ndvA-4obsA:
undetectable
3ndvB-4obsA:
undetectable
3ndvA-4obsA:
21.21
3ndvB-4obsA:
21.21
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.
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
1.39A 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
1.36A 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 THR A 371
LEU A 368
ASN A 396
LEU A 311
LEU A 318
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.
4r9n LMO0547 PROTEIN

(Listeria
monocytogenes)
PF04198
(Sugar-bind)
5 LEU A 171
ASN A 154
SER A 153
LEU A 196
LEU A 264
None
1.29A 3ndvA-4r9nA:
undetectable
3ndvB-4r9nA:
undetectable
3ndvA-4r9nA:
21.95
3ndvB-4r9nA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.26A 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.
4uvq THIAZOLINE
OXIDASE/SUBTILISIN-L
IKE PROTEASE


(Prochloron sp.)
no annotation 5 GLY A 931
ARG A 968
LEU A 970
LEU A 999
LEU A1002
None
1.41A 3ndvA-4uvqA:
undetectable
3ndvB-4uvqA:
undetectable
3ndvA-4uvqA:
21.65
3ndvB-4uvqA:
21.65
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.
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
1.05A 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.
5b2g HEAT-LABILE
ENTEROTOXIN B CHAIN


(Clostridium
perfringens)
PF03505
(Clenterotox)
5 LEU B 215
ASN B 218
SER B 217
LEU B 211
LEU B 209
None
1.38A 3ndvA-5b2gB:
undetectable
3ndvB-5b2gB:
undetectable
3ndvA-5b2gB:
16.62
3ndvB-5b2gB:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.32A 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 THR I  93
LEU I 133
SER I 137
LEU I 212
LEU I 118
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.
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
1.24A 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 GLY B 142
LEU B 107
LEU B 188
LEU B 131
LEU B 132
None
1.36A 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.
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
1.25A 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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S


(Oryctolagus
cuniculus)
PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH)
5 LEU A 186
SER A 177
LEU A 173
LEU A 565
LEU A 568
None
1.39A 3ndvA-5gjvA:
undetectable
3ndvB-5gjvA:
undetectable
3ndvA-5gjvA:
11.58
3ndvB-5gjvA:
11.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gms ESTERASE

(uncultured
bacterium)
PF07859
(Abhydrolase_3)
5 GLY A 142
LEU A 103
LEU A  91
LEU A 105
LEU A  74
None
1.31A 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 GLY A 424
ARG A 417
ASN A 420
SER A 421
LEU A 444
None
1.31A 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 THR A  79
LEU A  75
LEU A  73
LEU A  84
LEU A  87
None
1.28A 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 GLY A1005
LEU A 932
ASN A 936
SER A1010
LEU A 928
None
1.22A 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.
5m3c DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa)
no annotation 5 GLY A1130
LEU A1103
LEU A1133
LEU A1089
LEU A1129
None
1.24A 3ndvA-5m3cA:
undetectable
3ndvB-5m3cA:
undetectable
3ndvA-5m3cA:
14.29
3ndvB-5m3cA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.36A 3ndvA-5ovoA:
undetectable
3ndvB-5ovoA:
undetectable
3ndvA-5ovoA:
22.47
3ndvB-5ovoA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5txf PHOSPHATIDYLCHOLINE-
STEROL
ACYLTRANSFERASE


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

(Burkholderia
sp. LK4)
PF03576
(Peptidase_S58)
5 GLY A  73
THR A  96
GLU A 127
ASN A 201
SER A 239
None
0.41A 3ndvA-5tzbA:
51.6
3ndvB-5tzbA:
51.5
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 ASN D 341
SER D 338
LEU D 324
LEU D 402
LEU D 405
None
1.38A 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 GLY A 137
LEU A  76
ASN A  77
LEU A 113
LEU A 110
None
1.27A 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 THR A  28
ASN A  26
ASN A  23
SER A  59
LEU A  30
None
1.21A 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 GLY A  99
ASN A 203
SER A  96
LEU A 138
LEU A 141
None
1.13A 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.
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
1.25A 3ndvA-5xg5A:
undetectable
3ndvB-5xg5A:
undetectable
3ndvA-5xg5A:
19.94
3ndvB-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
1.06A 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.
6byo VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S


(Oryctolagus
cuniculus)
no annotation 5 LEU A 186
SER A 177
LEU A 173
LEU A 565
LEU A 568
None
1.39A 3ndvA-6byoA:
undetectable
3ndvB-6byoA:
undetectable
3ndvA-6byoA:
12.78
3ndvB-6byoA:
12.78
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.
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
1.20A 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.
6et0 PQSB

(Pseudomonas
aeruginosa)
no annotation 5 GLY B   7
LEU B 151
ASN B 121
ARG B 153
LEU B  46
None
1.31A 3ndvA-6et0B:
undetectable
3ndvB-6et0B:
undetectable
3ndvA-6et0B:
13.67
3ndvB-6et0B:
13.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.39A 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 149
ASN N  96
LEU N 102
LEU N 194
LEU N 191
None
1.27A 3ndvA-6g72N:
undetectable
3ndvB-6g72N:
undetectable
3ndvA-6g72N:
11.54
3ndvB-6g72N:
11.54