SIMILAR PATTERNS OF AMINO ACIDS FOR 3NDT_A_ROCA101_2

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1akm ORNITHINE
TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 246
VAL A 255
THR A 230
 None
 0.72A 3ndtA-1akmA:
undetectable		 3ndtA-1akmA:
11.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		3 ARG A 185
VAL A 303
THR A 218
 None
 0.82A 3ndtA-1flgA:
undetectable		 3ndtA-1flgA:
9.19
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.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		3 ARG A 185
VAL A  68
THR A  79
 A3P  A 400 (-2.8A)
None
None
 0.70A 3ndtA-1fmlA:
0.0		 3ndtA-1fmlA:
13.47
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		3 ARG A 394
VAL A 464
THR A 399
 None
 0.62A 3ndtA-1fohA:
0.0		 3ndtA-1fohA:
9.69
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.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I

(Salmonella
enterica) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		3 ARG A 504
VAL A 283
THR A 512
 None
 0.81A 3ndtA-1i1qA:
0.0		 3ndtA-1i1qA:
11.73
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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		3 ARG A 637
VAL A 175
THR A 180
 None
 0.81A 3ndtA-1kehA:
0.0		 3ndtA-1kehA:
8.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		3 ARG A 120
VAL A  51
THR A  30
 None
 0.59A 3ndtA-1mb9A:
0.0		 3ndtA-1mb9A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		3 ARG A 266
VAL A 247
THR A  71
 None
 0.68A 3ndtA-1n9bA:
0.0		 3ndtA-1n9bA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ort ORNITHINE
TRANSCARBAMOYLASE

(Pseudomonas
aeruginosa) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 246
VAL A 255
THR A 230
 None
 0.66A 3ndtA-1ortA:
0.0		 3ndtA-1ortA:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r1n FERRIC-IRON BINDING
PROTEIN

(Neisseria
gonorrhoeae) 		PF01547
(SBP_bac_1) 		3 ARG A 101
VAL A 147
THR A 291
 None
 0.80A 3ndtA-1r1nA:
undetectable		 3ndtA-1r1nA:
18.35
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.
1sbz PROBABLE AROMATIC
ACID DECARBOXYLASE

(Escherichia
coli) 		PF02441
(Flavoprotein) 		3 ARG A  52
VAL A  17
THR A  47
 None
 0.81A 3ndtA-1sbzA:
undetectable		 3ndtA-1sbzA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t8t HEPARAN SULFATE
D-GLUCOSAMINYL
3-O-SULFOTRANSFERASE
3A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		3 ARG A 248
VAL A 379
THR A 270
 None
 0.62A 3ndtA-1t8tA:
undetectable		 3ndtA-1t8tA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v29 NITRILE HYDRATASE A
CHAIN
NITRILE HYDRATASE B
CHAIN

(Bacillus
smithii) 		PF02211
(NHase_beta)
PF02979
(NHase_alpha) 		3 ARG B 166
VAL A 148
THR A 121
 None
 0.73A 3ndtA-1v29B:
undetectable		 3ndtA-1v29B:
17.47
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.
1v4p ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		no annotation 3 ARG A 133
VAL A  35
THR A   8
 None
 0.80A 3ndtA-1v4pA:
undetectable		 3ndtA-1v4pA:
19.87
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.
1wko TERMINAL FLOWER 1
PROTEIN

(Arabidopsis
thaliana) 		PF01161
(PBP) 		3 ARG A 122
VAL A  71
THR A 148
 None
 0.74A 3ndtA-1wkoA:
undetectable		 3ndtA-1wkoA:
21.18
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.
1yb5 QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ARG A  12
VAL A  73
THR A  98
 None
 0.56A 3ndtA-1yb5A:
undetectable		 3ndtA-1yb5A:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ywg GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Plasmodium
falciparum) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 ARG O  16
VAL O 290
THR O 242
 None
 0.77A 3ndtA-1ywgO:
undetectable		 3ndtA-1ywgO:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2akc CLASS A NONSPECIFIC
ACID PHOSPHATASE
PHON

(Salmonella
enterica) 		PF01569
(PAP2) 		3 ARG A 191
VAL A 208
THR A 119
 WO4  A 501 (-3.7A)
None
None
 0.81A 3ndtA-2akcA:
undetectable		 3ndtA-2akcA:
14.78
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Escherichia
coli) 		PF02233
(PNTB) 		3 ARG C  58
VAL C 109
THR C 106
 None
 0.81A 3ndtA-2bruC:
undetectable		 3ndtA-2bruC:
21.69
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.
2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII

(Bacillus
anthracis) 		PF02568
(ThiI)
PF02926
(THUMP) 		3 ARG A 314
VAL A 207
THR A 272
 None
 0.54A 3ndtA-2c5sA:
undetectable		 3ndtA-2c5sA:
11.86
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.
2dpp NITRILE HYDRATASE
ALPHA SUBUNIT
NITRILE HYDRATASE
BETA SUBUNIT

(Bacillus sp.
RAPc8) 		PF02211
(NHase_beta)
PF02979
(NHase_alpha) 		3 ARG B 166
VAL A 144
THR A 117
 None
 0.82A 3ndtA-2dppB:
undetectable		 3ndtA-2dppB:
17.90
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.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		3 ARG A  42
VAL A 245
THR A 268
 None
 0.69A 3ndtA-2ek8A:
undetectable		 3ndtA-2ek8A:
12.86
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.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 ARG A 324
VAL A  21
THR A   4
 None
 0.72A 3ndtA-2g17A:
undetectable		 3ndtA-2g17A:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		3 ARG A 422
VAL A 246
THR A 435
 None
 0.68A 3ndtA-2gahA:
undetectable		 3ndtA-2gahA:
7.05
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.
2oap TYPE II SECRETION
SYSTEM PROTEIN

(Archaeoglobus
fulgidus) 		PF00437
(T2SSE) 		3 ARG 1 409
VAL 1 265
THR 1 276
 None
 0.61A 3ndtA-2oap1:
undetectable		 3ndtA-2oap1:
11.40
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.
2q0q ARYL ESTERASE

(Mycolicibacterium
smegmatis) 		PF13472
(Lipase_GDSL_2) 		3 ARG A  33
VAL A  19
THR A  25
 GOL  A1730 (-2.9A)
None
None
 0.72A 3ndtA-2q0qA:
undetectable		 3ndtA-2q0qA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ql3 PROBABLE
TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF03466
(LysR_substrate) 		3 ARG A 230
VAL A 241
THR A 248
 None
 0.82A 3ndtA-2ql3A:
undetectable		 3ndtA-2ql3A:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqk NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		3 ARG A 518
VAL A 468
THR A 367
 None
 0.81A 3ndtA-2qqkA:
undetectable		 3ndtA-2qqkA:
11.01
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		3 ARG A  70
VAL A 175
THR A 210
 None
 0.77A 3ndtA-2qxlA:
undetectable		 3ndtA-2qxlA:
9.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9g AAA ATPASE, CENTRAL
REGION

(Enterococcus
faecium) 		PF12002
(MgsA_C) 		3 ARG A 278
VAL A 320
THR A 298
 None
 0.66A 3ndtA-2r9gA:
undetectable		 3ndtA-2r9gA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uvd 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		3 ARG A  60
VAL A  92
THR A 112
 None
 0.66A 3ndtA-2uvdA:
undetectable		 3ndtA-2uvdA:
16.67
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.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4) 		PF01771
(Herpes_alk_exo) 		3 ARG A  45
VAL A  32
THR A 454
 None
 0.53A 3ndtA-2w45A:
undetectable		 3ndtA-2w45A:
13.50
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.
2wxz ANGIOTENSINOGEN

(Rattus
norvegicus) 		PF00079
(Serpin) 		3 ARG A 354
VAL A 174
THR A 226
 None
 0.81A 3ndtA-2wxzA:
undetectable		 3ndtA-2wxzA:
14.00
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.
2xub DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC3

(Homo sapiens) 		PF05645
(RNA_pol_Rpc82)
PF08221
(HTH_9) 		3 ARG A 150
VAL A 107
THR A  95
 None
 0.67A 3ndtA-2xubA:
undetectable		 3ndtA-2xubA:
12.67
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		3 ARG A 149
VAL A 298
THR A 274
 None
 0.78A 3ndtA-2ycbA:
undetectable		 3ndtA-2ycbA:
8.73
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		3 ARG A 138
VAL A 181
THR A 393
 None
 0.71A 3ndtA-3a2qA:
undetectable		 3ndtA-3a2qA:
11.32
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		3 ARG A 178
VAL A 145
THR A 129
 None
 0.80A 3ndtA-3abzA:
undetectable		 3ndtA-3abzA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqk POLY(A) POLYMERASE

(Escherichia
coli) 		PF01743
(PolyA_pol)
PF12626
(PolyA_pol_arg_C)
PF12627
(PolyA_pol_RNAbd) 		3 ARG A 149
VAL A  54
THR A  73
 None
 0.82A 3ndtA-3aqkA:
undetectable		 3ndtA-3aqkA:
11.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 255
VAL A 264
THR A 239
 None
 0.78A 3ndtA-3grfA:
undetectable		 3ndtA-3grfA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 ARG A 161
VAL A 106
THR A  68
 None
 0.74A 3ndtA-3hdxA:
undetectable		 3ndtA-3hdxA:
12.55
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A  15
VAL A 338
THR A 304
 GAE  A 411 (-3.0A)
None
None
 0.71A 3ndtA-3hpfA:
undetectable		 3ndtA-3hpfA:
12.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hu5 ISOCHORISMATASE
FAMILY PROTEIN

(Desulfovibrio
vulgaris) 		PF00857
(Isochorismatase) 		3 ARG A  58
VAL A 131
THR A 143
 None
 0.74A 3ndtA-3hu5A:
undetectable		 3ndtA-3hu5A:
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.
3ism CG4930
CG8862

(Drosophila
melanogaster) 		PF01223
(Endonuclease_NS)
PF08785
(Ku_PK_bind) 		3 ARG A 153
VAL C  50
THR C  55
 None
 0.81A 3ndtA-3ismA:
undetectable		 3ndtA-3ismA:
15.65
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		3 ARG A 133
VAL A 124
THR A 102
 None
 0.64A 3ndtA-3it4A:
undetectable		 3ndtA-3it4A:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		3 ARG P 201
VAL P 323
THR P 231
 None
 0.75A 3ndtA-3izyP:
undetectable		 3ndtA-3izyP:
12.14
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.
3kx2 PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Saccharomyces
cerevisiae) 		no annotation 3 ARG B 427
VAL B 156
THR B 123
 None
None
MG  B 800 ( 3.0A)
 0.81A 3ndtA-3kx2B:
undetectable		 3ndtA-3kx2B:
8.64
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.
3ll9 ISOPENTENYL
PHOSPHATE KINASE

(Methanothermobacter
thermautotrophicus) 		PF00696
(AA_kinase) 		3 ARG A  59
VAL A 142
THR A  80
 None
 0.77A 3ndtA-3ll9A:
undetectable		 3ndtA-3ll9A:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll9 ISOPENTENYL
PHOSPHATE KINASE

(Methanothermobacter
thermautotrophicus) 		PF00696
(AA_kinase) 		3 ARG A  72
VAL A 142
THR A  80
 None
 0.73A 3ndtA-3ll9A:
undetectable		 3ndtA-3ll9A:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN

(Bacillus cereus) 		PF02441
(Flavoprotein) 		3 ARG A 170
VAL A 125
THR A 177
 None
 0.75A 3ndtA-3mcuA:
undetectable		 3ndtA-3mcuA:
20.99
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.
3r4v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
phage 201phi2-1) 		PF00091
(Tubulin) 		3 ARG A 196
VAL A  86
THR A 103
 None
 0.82A 3ndtA-3r4vA:
undetectable		 3ndtA-3r4vA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r5b TETRAHYDRODIPICOLINA
TE
N-SUCCINYLETRANSFERA
SE

(Pseudomonas
aeruginosa) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M)
PF14790
(THDPS_N) 		3 ARG A 189
VAL A 228
THR A 242
 None
 0.78A 3ndtA-3r5bA:
undetectable		 3ndtA-3r5bA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		3 ARG A 504
VAL A 473
THR A 457
 None
 0.68A 3ndtA-3r75A:
undetectable		 3ndtA-3r75A:
10.08
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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		3 ARG A 180
VAL A 132
THR A 121
 None
 0.75A 3ndtA-3rd5A:
undetectable		 3ndtA-3rd5A:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rhy N(G),N(G)-DIMETHYLAR
GININE
DIMETHYLAMINOHYDROLA
SE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		3 ARG A  85
VAL A 160
THR A 165
 HM3  A 255 ( 4.7A)
None
None
 0.74A 3ndtA-3rhyA:
undetectable		 3ndtA-3rhyA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		3 ARG A 440
VAL A 360
THR A  34
 None
 0.61A 3ndtA-3tsdA:
undetectable		 3ndtA-3tsdA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD

(Thermococcus
kodakarensis) 		PF01924
(HypD) 		3 ARG B  84
VAL B  73
THR B 106
 None
 0.82A 3ndtA-3vysB:
undetectable		 3ndtA-3vysB:
12.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		3 ARG A 216
VAL A 205
THR A 224
 None
 0.81A 3ndtA-3zqjA:
undetectable		 3ndtA-3zqjA:
7.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0w T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Bos taurus) 		PF00118
(Cpn60_TCP1) 		3 ARG A 375
VAL A 383
THR A 153
 None
 0.79A 3ndtA-4a0wA:
undetectable		 3ndtA-4a0wA:
11.16
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.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		3 ARG A 121
VAL A 127
THR A  92
 ZN  A1293 ( 4.7A)
None
None
 0.81A 3ndtA-4d1tA:
undetectable		 3ndtA-4d1tA:
18.29
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.
4dkm AMPHIOXUS GREEN
FLUORESCENT PROTEIN,
GFPC1A

(Branchiostoma
floridae) 		PF01353
(GFP) 		3 ARG A 166
VAL A  54
THR A 197
 None
None
CR2  A  60 ( 4.7A)
 0.81A 3ndtA-4dkmA:
undetectable		 3ndtA-4dkmA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 ARG A 640
VAL A 620
THR A 556
 None
 0.78A 3ndtA-4fysA:
undetectable		 3ndtA-4fysA:
8.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3h ARGINASE (ROCF)

(Helicobacter
pylori) 		PF00491
(Arginase) 		3 ARG A 196
VAL A 184
THR A 187
 None
 0.80A 3ndtA-4g3hA:
undetectable		 3ndtA-4g3hA:
13.35
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		3 ARG A 253
VAL A 375
THR A 260
 None
 0.81A 3ndtA-4gx0A:
undetectable		 3ndtA-4gx0A:
9.35
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.
4hyj RHODOPSIN

(Exiguobacterium
sibiricum) 		PF01036
(Bac_rhodopsin) 		3 ARG A  33
VAL A 226
THR A  51
 None
 0.77A 3ndtA-4hyjA:
undetectable		 3ndtA-4hyjA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ihq FLAI ATPASE

(Sulfolobus
acidocaldarius) 		PF00437
(T2SSE) 		3 ARG A 405
VAL A 260
THR A 271
 None
 0.69A 3ndtA-4ihqA:
undetectable		 3ndtA-4ihqA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A 338
VAL A 320
THR A 306
 None
 0.81A 3ndtA-4izgA:
undetectable		 3ndtA-4izgA:
13.32
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.
4jde PROTEIN F15E11.1

(Caenorhabditis
elegans) 		no annotation 3 ARG B 119
VAL B   9
THR B  67
 None
None
CL  B 201 (-4.4A)
 0.80A 3ndtA-4jdeB:
undetectable		 3ndtA-4jdeB:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE

(Sorghum bicolor) 		PF02458
(Transferase) 		3 ARG A 304
VAL A 210
THR A 322
 PG4  A 502 (-2.8A)
None
None
 0.72A 3ndtA-4ke4A:
undetectable		 3ndtA-4ke4A:
11.16
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.
4ktd GE136 LIGHT CHAIN
FAB

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		3 ARG L 103
VAL L 146
THR L 161
 None
 0.77A 3ndtA-4ktdL:
undetectable		 3ndtA-4ktdL:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ld6 PWWP
DOMAIN-CONTAINING
PROTEIN 2B

(Homo sapiens) 		PF00855
(PWWP) 		3 ARG A 554
VAL A 488
THR A 482
 None
 0.56A 3ndtA-4ld6A:
undetectable		 3ndtA-4ld6A:
23.14
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.
4m9d ADENYLOSUCCINATE
SYNTHETASE

(Bacillus
anthracis) 		PF00709
(Adenylsucc_synt) 		3 ARG A 146
VAL A  67
THR A 203
 None
 0.80A 3ndtA-4m9dA:
undetectable		 3ndtA-4m9dA:
14.66
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.
4mdv ANNEXIN

(Schistosoma
mansoni) 		PF00191
(Annexin) 		3 ARG A  66
VAL A 101
THR A 354
 None
 0.82A 3ndtA-4mdvA:
undetectable		 3ndtA-4mdvA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0l PREDICTED COMPONENT
OF A
THERMOPHILE-SPECIFIC
DNA REPAIR SYSTEM,
CONTAINS A RAMP
DOMAIN

(Methanopyrus
kandleri) 		PF03787
(RAMPs) 		3 ARG A  15
VAL A  38
THR A  20
 None
 0.66A 3ndtA-4n0lA:
undetectable		 3ndtA-4n0lA:
17.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ARG A   8
VAL A  32
THR A  80
 RIT  A 500 (-3.2A)
None
None
 0.58A 3ndtA-4njvA:
20.2		 3ndtA-4njvA:
84.85
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		3 ARG A  60
VAL A 103
THR A 285
 None
None
EDO  A 413 ( 3.7A)
 0.76A 3ndtA-4qa9A:
undetectable		 3ndtA-4qa9A:
13.58
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.
4qdr NEUROPILIN-2

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		3 ARG A 518
VAL A 468
THR A 367
 None
 0.78A 3ndtA-4qdrA:
undetectable		 3ndtA-4qdrA:
13.52
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.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 3 ARG B 194
VAL B 182
THR B  59
 TRS  B 302 (-3.1A)
None
None
 0.72A 3ndtA-4qezB:
undetectable		 3ndtA-4qezB:
20.72
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.
4tx7 CLASS I CHITINASE

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		3 ARG A 100
VAL A 256
THR A 239
 None
 0.79A 3ndtA-4tx7A:
undetectable		 3ndtA-4tx7A:
15.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4whm UDP-GLUCOSE:ANTHOCYA
NIDIN
3-O-GLUCOSYLTRANSFER
ASE

(Clitoria
ternatea) 		PF00201
(UDPGT) 		3 ARG A 194
VAL A 202
THR A 118
 None
 0.67A 3ndtA-4whmA:
undetectable		 3ndtA-4whmA:
12.47
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.
4xt8 RV2671

(Mycobacterium
tuberculosis) 		PF01872
(RibD_C) 		3 ARG A 122
VAL A 162
THR A 152
 PEG  A 305 ( 3.6A)
None
None
 0.77A 3ndtA-4xt8A:
undetectable		 3ndtA-4xt8A:
18.58
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		3 ARG A  84
VAL A  24
THR A  78
 None
 0.76A 3ndtA-4ynnA:
undetectable		 3ndtA-4ynnA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zu2 PUTATIVE
ISOHEXENYLGLUTACONYL
-COA HYDRATASE

(Pseudomonas
aeruginosa) 		PF00378
(ECH_1) 		3 ARG A  53
VAL A 126
THR A 200
 None
 0.76A 3ndtA-4zu2A:
undetectable		 3ndtA-4zu2A:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dbo TRANSLATION
INITIATION FACTOR
EIF-2B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF01008
(IF-2B) 		3 ARG A 330
VAL A 295
THR A 288
 None
 0.73A 3ndtA-5dboA:
undetectable		 3ndtA-5dboA:
14.00
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.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		3 ARG A 683
VAL A 652
THR A 621
 None
 0.81A 3ndtA-5e9aA:
undetectable		 3ndtA-5e9aA:
10.22
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		3 ARG A 368
VAL A 417
THR A 481
 None
 0.80A 3ndtA-5ey8A:
undetectable		 3ndtA-5ey8A:
10.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hoe HYDROLASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		3 ARG A  35
VAL A  21
THR A  27
 None
 0.70A 3ndtA-5hoeA:
undetectable		 3ndtA-5hoeA:
17.32
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.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Mycobacterium
tuberculosis) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		3 ARG A 527
VAL A 566
THR A 537
 None
 0.68A 3ndtA-5i67A:
undetectable		 3ndtA-5i67A:
10.45
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.
5k3j ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		3 ARG A 598
VAL A 554
THR A  22
 None
 0.82A 3ndtA-5k3jA:
undetectable		 3ndtA-5k3jA:
10.76
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.
5o71 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 25

(Homo sapiens) 		no annotation 3 ARG A 244
VAL A 169
THR A 235
 None
 0.77A 3ndtA-5o71A:
undetectable		 3ndtA-5o71A:
19.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ARG A   8
VAL A  32
THR A  80
 None
 0.53A 3ndtA-5t2zA:
19.6		 3ndtA-5t2zA:
80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uhu MYCINAMICIN IV
HYDROXYLASE/EPOXIDAS
E

(Micromonospora
griseorubida) 		PF00067
(p450) 		3 ARG A  63
VAL A 282
THR A  74
 None
 0.81A 3ndtA-5uhuA:
undetectable		 3ndtA-5uhuA:
13.55
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.
5vmt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 ARG A  15
VAL A 283
THR A 239
 None
 0.63A 3ndtA-5vmtA:
undetectable		 3ndtA-5vmtA:
14.66
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.
5vtm TYPE II SECRETION
SYSTEM PROTEIN J

(Pseudomonas
aeruginosa) 		no annotation 3 ARG W 105
VAL W  69
THR W  93
 None
 0.82A 3ndtA-5vtmW:
undetectable		 3ndtA-5vtmW:
26.00
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.
5wf2 UNCHARACTERIZED
PROTEIN

(Equus caballus) 		no annotation 3 ARG A 428
VAL A 386
THR A 404
 None
 0.76A 3ndtA-5wf2A:
undetectable		 3ndtA-5wf2A:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		3 ARG A  74
VAL A 162
THR A 152
 None
 0.80A 3ndtA-5wgxA:
undetectable		 3ndtA-5wgxA:
11.84
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.
5y37 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
agalactiae) 		no annotation 3 ARG A  19
VAL A 288
THR A 244
 None
 0.58A 3ndtA-5y37A:
undetectable		 3ndtA-5y37A:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ze4 DIHYDROXY-ACID
DEHYDRATASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 3 ARG A 487
VAL A 281
THR A 219
 None
 0.79A 3ndtA-5ze4A:
undetectable		 3ndtA-5ze4A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bk5 UBIQUITIN LIGASE CBL

(Salpingoeca
rosetta) 		no annotation 3 ARG A  93
VAL A 102
THR A  40
 None
 0.78A 3ndtA-6bk5A:
undetectable		 3ndtA-6bk5A:
20.39
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 3 ARG A 145
VAL A 177
THR A 372
 None
 0.74A 3ndtA-6c62A:
undetectable		 3ndtA-6c62A:
26.73
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.
6ccv -

(-) 		no annotation 3 ARG F 442
VAL F 413
THR F 448
 None
 0.71A 3ndtA-6ccvF:
undetectable		 3ndtA-6ccvF:
undetectable