SIMILAR PATTERNS OF AMINO ACIDS FOR 3K4V_D_ROCD201_4

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
 0.70A 3k4vD-1akmA:
0.0		 3k4vD-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.
1bco BACTERIOPHAGE MU
TRANSPOSASE

(Escherichia
virus Mu) 		PF02914
(DDE_2)
PF09299
(Mu-transpos_C) 		3 ARG A 324
VAL A 467
THR A 297
 None
 0.74A 3k4vD-1bcoA:
0.0		 3k4vD-1bcoA:
14.87
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.
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
 0.84A 3k4vD-1fmlA:
0.0		 3k4vD-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.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		3 ARG A 312
VAL A 293
THR A  77
 A3P  A 400 (-3.7A)
None
A3P  A 400 (-3.6A)
 0.77A 3k4vD-1fmlA:
0.0		 3k4vD-1fmlA:
13.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ARG A   8
VAL A  32
THR A  80
 A79  A 800 (-3.4A)
A79  A 800 ( 4.4A)
None
 0.36A 3k4vD-1hvcA:
13.8		 3k4vD-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ARG A   8
VAL A  32
THR A  80
 A79  A 800 (-3.6A)
A79  A 800 ( 4.3A)
None
 0.32A 3k4vD-1hvcA:
13.8		 3k4vD-1hvcA:
46.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		3 ARG A 221
VAL A 154
THR A 139
 None
 0.59A 3k4vD-1mlzA:
0.0		 3k4vD-1mlzA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.54A 3k4vD-1n9bA:
undetectable		 3k4vD-1n9bA:
17.56
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.
1ort ORNITHINE
TRANSCARBAMOYLASE

(Pseudomonas
aeruginosa) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 246
VAL A 255
THR A 230
 None
 0.63A 3k4vD-1ortA:
undetectable		 3k4vD-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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 ARG A 139
VAL A 105
THR A 159
 None
 0.84A 3k4vD-1qlbA:
0.0		 3k4vD-1qlbA:
10.42
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.
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
 0.63A 3k4vD-1t8tA:
0.0		 3k4vD-1t8tA:
17.76
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.
1vj7 BIFUNCTIONAL
RELA/SPOT

(Streptococcus
dysgalactiae) 		PF04607
(RelA_SpoT)
PF13328
(HD_4) 		3 ARG A 290
VAL A 282
THR A 313
 None
 0.75A 3k4vD-1vj7A:
undetectable		 3k4vD-1vj7A:
14.40
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.
1yb5 QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ARG A  12
VAL A  73
THR A  98
 None
 0.72A 3k4vD-1yb5A:
undetectable		 3k4vD-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.
2b9s TOPOISOMERASE I-LIKE
PROTEIN

(Leishmania
donovani) 		PF01028
(Topoisom_I)
PF02919
(Topoisom_I_N) 		3 ARG A 310
VAL A 447
THR A 417
 None
 0.83A 3k4vD-2b9sA:
undetectable		 3k4vD-2b9sA:
13.06
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Escherichia
coli) 		PF02233
(PNTB) 		3 ARG C  58
VAL C 109
THR C 106
 None
 0.81A 3k4vD-2bruC:
undetectable		 3k4vD-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
 0.69A 3k4vD-2c5sA:
undetectable		 3k4vD-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.
2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE

(Bordetella
pertussis) 		PF03497
(Anthrax_toxA) 		3 ARG A  15
VAL A  43
THR A  48
 None
 0.70A 3k4vD-2colA:
undetectable		 3k4vD-2colA:
16.00
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.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		3 ARG A  42
VAL A 245
THR A 268
 None
 0.83A 3k4vD-2ek8A:
undetectable		 3k4vD-2ek8A:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		3 ARG A 184
VAL A 155
THR A 152
 None
 0.76A 3k4vD-2g5tA:
undetectable		 3k4vD-2g5tA:
10.00
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.
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
 0.79A 3k4vD-2gahA:
undetectable		 3k4vD-2gahA:
7.07
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.
2h7g DNA TOPOISOMERASE 1

(Variola virus) 		PF01028
(Topoisom_I)
PF09266
(VirDNA-topo-I_N) 		3 ARG X  86
VAL X 304
THR X 278
 None
 0.81A 3k4vD-2h7gX:
undetectable		 3k4vD-2h7gX:
13.19
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.
2iht CARBOXYETHYLARGININE
SYNTHASE

(Streptomyces
clavuligerus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 ARG A 229
VAL A  62
THR A  94
 None
 0.83A 3k4vD-2ihtA:
undetectable		 3k4vD-2ihtA:
11.43
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.
2lc0 PUTATIVE
UNCHARACTERIZED
PROTEIN TB39.8

(Mycobacterium
tuberculosis) 		PF12401
(DUF3662) 		3 ARG A  10
VAL A 125
THR A 100
 None
 0.74A 3k4vD-2lc0A:
undetectable		 3k4vD-2lc0A:
28.47
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.
2nwq PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00106
(adh_short) 		3 ARG A  80
VAL A  52
THR A  50
 None
 0.76A 3k4vD-2nwqA:
undetectable		 3k4vD-2nwqA:
16.17
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.
2oap TYPE II SECRETION
SYSTEM PROTEIN

(Archaeoglobus
fulgidus) 		PF00437
(T2SSE) 		3 ARG 1 409
VAL 1 265
THR 1 276
 None
 0.82A 3k4vD-2oap1:
undetectable		 3k4vD-2oap1:
11.90
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.
2owm RELATED TO
KINESIN-LIKE PROTEIN
KIF1C

(Neurospora
crassa) 		PF00225
(Kinesin) 		3 ARG A 294
VAL A  40
THR A 415
 None
 0.67A 3k4vD-2owmA:
undetectable		 3k4vD-2owmA:
11.06
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.
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
 0.76A 3k4vD-2q0qA:
undetectable		 3k4vD-2q0qA:
18.83
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.
2qpq PROTEIN BUG27

(Bordetella
pertussis) 		PF03401
(TctC) 		3 ARG A  83
VAL A  77
THR A 293
 None
 0.83A 3k4vD-2qpqA:
undetectable		 3k4vD-2qpqA:
15.61
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.
2qqk NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		3 ARG A 518
VAL A 468
THR A 367
 None
 0.82A 3k4vD-2qqkA:
undetectable		 3k4vD-2qqkA:
11.51
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.
2r9g AAA ATPASE, CENTRAL
REGION

(Enterococcus
faecium) 		PF12002
(MgsA_C) 		3 ARG A 278
VAL A 320
THR A 298
 None
 0.72A 3k4vD-2r9gA:
undetectable		 3k4vD-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
 0.74A 3k4vD-2uvdA:
undetectable		 3k4vD-2uvdA:
16.73
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.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4) 		PF01771
(Herpes_alk_exo) 		3 ARG A  45
VAL A  32
THR A 454
 None
 0.78A 3k4vD-2w45A:
undetectable		 3k4vD-2w45A:
14.73
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.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ARG A 187
VAL A  73
THR A 149
 SO4  A1423 (-2.1A)
None
None
 0.80A 3k4vD-2yfqA:
undetectable		 3k4vD-2yfqA:
14.01
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.
2z61 PROBABLE ASPARTATE
AMINOTRANSFERASE 2

(Methanocaldococcus
jannaschii) 		PF00155
(Aminotran_1_2) 		3 ARG A 230
VAL A  48
THR A  43
 LLP  A 222 ( 2.8A)
None
None
 0.70A 3k4vD-2z61A:
undetectable		 3k4vD-2z61A:
13.90
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.
3axs PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1

(Aquifex
aeolicus) 		PF02005
(TRM) 		3 ARG A 192
VAL A 358
THR A 355
 None
 0.84A 3k4vD-3axsA:
undetectable		 3k4vD-3axsA:
14.93
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		3 ARG A 294
VAL A 303
THR A 316
 None
 0.84A 3k4vD-3ckbA:
undetectable		 3k4vD-3ckbA:
11.24
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.
3cps GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 ARG A 252
VAL A 261
THR A 169
 None
 0.80A 3k4vD-3cpsA:
undetectable		 3k4vD-3cpsA:
15.24
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.
3gqc DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		3 ARG A 595
VAL A 549
THR A 602
 None
 0.84A 3k4vD-3gqcA:
undetectable		 3k4vD-3gqcA:
12.61
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 255
VAL A 264
THR A 239
 None
 0.78A 3k4vD-3grfA:
undetectable		 3k4vD-3grfA:
15.94
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.
3gt5 N-ACETYLGLUCOSAMINE
2-EPIMERASE

(Xylella
fastidiosa) 		PF07221
(GlcNAc_2-epim) 		3 ARG A 204
VAL A 125
THR A 147
 None
 0.69A 3k4vD-3gt5A:
undetectable		 3k4vD-3gt5A:
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.
3in5 DNA POLYMERASE KAPPA

(Homo sapiens) 		PF00817
(IMS)
PF11798
(IMS_HHH)
PF11799
(IMS_C) 		3 ARG A 298
VAL A 177
THR A 305
 None
 0.80A 3k4vD-3in5A:
undetectable		 3k4vD-3in5A:
11.85
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		3 ARG A  94
VAL A 519
THR A 148
 None
 0.75A 3k4vD-3jb9A:
undetectable		 3k4vD-3jb9A:
4.08
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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		3 ARG A 277
VAL A 293
THR A  38
 None
 0.79A 3k4vD-3l6rA:
undetectable		 3k4vD-3l6rA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		3 ARG A 295
VAL A 284
THR A  22
 None
 0.78A 3k4vD-3lm6A:
undetectable		 3k4vD-3lm6A:
12.57
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.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN

(Bacillus cereus) 		PF02441
(Flavoprotein) 		3 ARG A  37
VAL A 124
THR A 117
 None
 0.63A 3k4vD-3mcuA:
undetectable		 3k4vD-3mcuA:
21.12
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.
3pdw UNCHARACTERIZED
HYDROLASE YUTF

(Bacillus
subtilis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		3 ARG A 124
VAL A 119
THR A 147
 None
 0.83A 3k4vD-3pdwA:
undetectable		 3k4vD-3pdwA:
18.61
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.
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
 0.79A 3k4vD-3r75A:
undetectable		 3k4vD-3r75A:
10.17
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
 0.71A 3k4vD-3rhyA:
undetectable		 3k4vD-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
 0.50A 3k4vD-3tsdA:
undetectable		 3k4vD-3tsdA:
13.09
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.
3vi3 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		3 ARG A 423
VAL A 369
THR A 292
 None
 0.81A 3k4vD-3vi3A:
undetectable		 3k4vD-3vi3A:
10.90
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		3 ARG A 321
VAL A 344
THR A 301
 None
 0.77A 3k4vD-3wdjA:
undetectable		 3k4vD-3wdjA:
9.26
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.
4cti OSMOLARITY SENSOR
PROTEIN ENVZ, AF1503

(Archaeoglobus
fulgidus;
Escherichia
coli) 		PF00512
(HisKA)
PF00672
(HAMP)
PF02518
(HATPase_c) 		3 ARG A 282
VAL A 303
THR A 290
 None
 0.70A 3k4vD-4ctiA:
undetectable		 3k4vD-4ctiA:
19.40
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.
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
 0.80A 3k4vD-4d1tA:
undetectable		 3k4vD-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.
4fcy TRANSPOSASE

(Escherichia
virus Mu) 		PF02316
(HTH_Tnp_Mu_1)
PF02914
(DDE_2)
PF09039
(HTH_Tnp_Mu_2)
PF09299
(Mu-transpos_C) 		3 ARG A 324
VAL A 467
THR A 297
 None
 0.81A 3k4vD-4fcyA:
undetectable		 3k4vD-4fcyA:
10.06
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.
4fff LEVAN
FRUCTOTRANSFERASE

(Paenarthrobacter
ureafaciens) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 ARG A 461
VAL A 382
THR A 502
 None
 0.59A 3k4vD-4fffA:
undetectable		 3k4vD-4fffA:
12.34
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.
4g59 M152 PROTEIN

(Murid
betaherpesvirus
1) 		PF11624
(M157) 		3 ARG C 180
VAL C 174
THR C 254
 None
 0.80A 3k4vD-4g59C:
undetectable		 3k4vD-4g59C:
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A 314
VAL A 131
THR A 128
 None
 0.70A 3k4vD-4h2hA:
undetectable		 3k4vD-4h2hA:
14.86
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.
4hyj RHODOPSIN

(Exiguobacterium
sibiricum) 		PF01036
(Bac_rhodopsin) 		3 ARG A  33
VAL A 226
THR A  51
 None
 0.59A 3k4vD-4hyjA:
undetectable		 3k4vD-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.
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)
 0.69A 3k4vD-4jdeB:
undetectable		 3k4vD-4jdeB:
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.
4jkl BETA-GLUCURONIDASE

(Streptococcus
agalactiae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		3 ARG A  54
VAL A  39
THR A  42
 None
 0.70A 3k4vD-4jklA:
undetectable		 3k4vD-4jklA:
10.85
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.
4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE

(Pseudomonas
aeruginosa) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		3 ARG A 189
VAL A 107
THR A  75
 SIN  A 601 ( 4.7A)
None
None
 0.72A 3k4vD-4k91A:
undetectable		 3k4vD-4k91A:
14.84
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.
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
 0.61A 3k4vD-4ke4A:
undetectable		 3k4vD-4ke4A:
11.38
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.
4ktd GE136 LIGHT CHAIN
FAB

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		3 ARG L 103
VAL L 146
THR L 161
 None
 0.82A 3k4vD-4ktdL:
undetectable		 3k4vD-4ktdL:
17.45
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.
4ld6 PWWP
DOMAIN-CONTAINING
PROTEIN 2B

(Homo sapiens) 		PF00855
(PWWP) 		3 ARG A 554
VAL A 488
THR A 482
 None
 0.74A 3k4vD-4ld6A:
undetectable		 3k4vD-4ld6A:
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.
4lk2 PRE-MRNA-PROCESSING
ATP-DEPENDENT RNA
HELICASE PRP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 ARG A 503
VAL A 479
THR A 616
 None
 0.79A 3k4vD-4lk2A:
undetectable		 3k4vD-4lk2A:
12.53
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.
4m9d ADENYLOSUCCINATE
SYNTHETASE

(Bacillus
anthracis) 		PF00709
(Adenylsucc_synt) 		3 ARG A 146
VAL A  67
THR A 203
 None
 0.81A 3k4vD-4m9dA:
undetectable		 3k4vD-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.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		3 ARG A 262
VAL A 192
THR A 190
 None
 0.81A 3k4vD-4mx3A:
undetectable		 3k4vD-4mx3A:
11.61
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.
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
 0.84A 3k4vD-4n0lA:
undetectable		 3k4vD-4n0lA:
17.81
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.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
vulgatus) 		PF13204
(DUF4038)
PF16586
(DUF5060) 		3 ARG A 165
VAL A 117
THR A 323
 None
 0.78A 3k4vD-4n0rA:
undetectable		 3k4vD-4n0rA:
12.28
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
 0.32A 3k4vD-4njvA:
20.3		 3k4vD-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.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		3 ARG A1159
VAL A1169
THR A1255
 None
 0.83A 3k4vD-4oa7A:
undetectable		 3k4vD-4oa7A:
19.63
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.
4qdr NEUROPILIN-2

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		3 ARG A 518
VAL A 468
THR A 367
 None
 0.78A 3k4vD-4qdrA:
undetectable		 3k4vD-4qdrA:
13.87
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.
4tx7 CLASS I CHITINASE

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		3 ARG A 100
VAL A 256
THR A 239
 None
 0.74A 3k4vD-4tx7A:
undetectable		 3k4vD-4tx7A:
16.60
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.
4ui0 RGM DOMAIN FAMILY
MEMBER B

(Homo sapiens) 		PF06535
(RGM_N) 		3 ARG C  86
VAL C 109
THR C  92
 None
 0.69A 3k4vD-4ui0C:
undetectable		 3k4vD-4ui0C:
21.37
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.
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo sapiens) 		PF00753
(Lactamase_B) 		3 ARG A 239
VAL A 182
THR A 185
 None
 0.74A 3k4vD-4v0hA:
undetectable		 3k4vD-4v0hA:
15.91
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.
4ynv ACL4

(Chaetomium
thermophilum) 		PF13432
(TPR_16) 		3 ARG A 169
VAL A 179
THR A 216
 None
 0.58A 3k4vD-4ynvA:
undetectable		 3k4vD-4ynvA:
12.82
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		3 ARG A1493
VAL A1472
THR A1689
 None
 0.75A 3k4vD-5amqA:
undetectable		 3k4vD-5amqA:
3.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 3 ARG B 564
VAL B 595
THR B 590
 None
 0.67A 3k4vD-5cyrB:
undetectable		 3k4vD-5cyrB:
8.97
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.
5dbo TRANSLATION
INITIATION FACTOR
EIF-2B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF01008
(IF-2B) 		3 ARG A 330
VAL A 295
THR A 288
 None
 0.77A 3k4vD-5dboA:
undetectable		 3k4vD-5dboA:
18.92
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.
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
 0.73A 3k4vD-5e9aA:
undetectable		 3k4vD-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.
5exk LIPOYL SYNTHASE

(Mycobacterium
tuberculosis) 		PF04055
(Radical_SAM)
PF16881
(LIAS_N) 		3 ARG A  83
VAL A  54
THR A 121
 None
None
MET  A 404 (-3.7A)
 0.76A 3k4vD-5exkA:
undetectable		 3k4vD-5exkA:
17.83
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		3 ARG A 295
VAL A 347
THR A 325
 None
 0.80A 3k4vD-5gw7A:
undetectable		 3k4vD-5gw7A:
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.
5hoe HYDROLASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		3 ARG A  35
VAL A  21
THR A  27
 None
 0.76A 3k4vD-5hoeA:
undetectable		 3k4vD-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.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		3 ARG A 220
VAL A 252
THR A 249
 None
 0.79A 3k4vD-5hxwA:
undetectable		 3k4vD-5hxwA:
14.91
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.
5i39 L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		3 ARG A 220
VAL A 252
THR A 249
 None
 0.64A 3k4vD-5i39A:
undetectable		 3k4vD-5i39A:
16.15
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.
5jry NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		3 ARG A  79
VAL A  68
THR A 196
 None
 0.78A 3k4vD-5jryA:
undetectable		 3k4vD-5jryA:
12.98
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.
5lj3 PRP46

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		3 ARG J 312
VAL J 272
THR J 229
 None
 0.59A 3k4vD-5lj3J:
undetectable		 3k4vD-5lj3J:
13.88
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.
5mm4 KINESIN-5

(Ustilago maydis) 		no annotation 3 ARG K 355
VAL K 351
THR K 361
 None
 0.81A 3k4vD-5mm4K:
undetectable		 3k4vD-5mm4K:
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 3 ARG A 555
VAL A 529
THR A 534
 None
 0.80A 3k4vD-5n94A:
undetectable		 3k4vD-5n94A:
17.17
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 3 ARG A 445
VAL A 495
THR A 129
 None
 0.82A 3k4vD-5nd1A:
undetectable		 3k4vD-5nd1A:
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.
5o67 FAPF

(Pseudomonas sp.
UK4) 		no annotation 3 ARG B 199
VAL B 206
THR B 234
 None
 0.80A 3k4vD-5o67B:
undetectable		 3k4vD-5o67B:
16.30
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
 0.25A 3k4vD-5t2zA:
19.7		 3k4vD-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.
5tpt AMYLOID-LIKE PROTEIN
2

(Homo sapiens) 		no annotation 3 ARG A 540
VAL A 529
THR A 507
 None
 0.83A 3k4vD-5tptA:
undetectable		 3k4vD-5tptA:
17.92
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.
5uuw INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH) 		3 ARG A 440
VAL A 360
THR A  34
 None
 0.71A 3k4vD-5uuwA:
undetectable		 3k4vD-5uuwA:
16.77
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.
5x32 N-ACYLGLUCOSAMINE
2-EPIMERASE

(Marinomonas
mediterranea) 		no annotation 3 ARG A 198
VAL A 118
THR A 140
 None
 0.71A 3k4vD-5x32A:
undetectable		 3k4vD-5x32A:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zvs PUTATIVE CORE
PROTEIN NTPASE/VP5
VP2

(Aquareovirus C) 		no annotation 3 ARG 2 418
VAL 4 536
THR 4 407
 None
 0.79A 3k4vD-5zvs2:
undetectable		 3k4vD-5zvs2:
18.18
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.
5zvt C-TERMINUS OF OUTER
CAPSID PROTEIN VP5

(Aquareovirus C) 		no annotation 3 ARG B 567
VAL B 527
THR B 536
 None
 0.82A 3k4vD-5zvtB:
undetectable		 3k4vD-5zvtB:
23.96
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 3 ARG A 145
VAL A 177
THR A 372
 None
 0.74A 3k4vD-6c62A:
undetectable		 3k4vD-6c62A:
27.00
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.
6ccv -

(-) 		no annotation 3 ARG F 442
VAL F 413
THR F 448
 None
 0.81A 3k4vD-6ccvF:
undetectable		 3k4vD-6ccvF:
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 3 ARG A 147
VAL A 136
THR A 194
 None
 0.69A 3k4vD-6etiA:
undetectable		 3k4vD-6etiA:
20.59