SIMILAR PATTERNS OF AMINO ACIDS FOR 3K4V_B_ROCB201_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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE


(Rattus
norvegicus)
PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1)
4 ARG A 454
ASP A 209
GLY A 174
THR A  90
FAD  A 750 (-3.8A)
None
FMN  A 751 (-3.2A)
FMN  A 751 (-3.5A)
1.22A 3k4vB-1amoA:
undetectable
3k4vB-1amoA:
9.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1brw PROTEIN (PYRIMIDINE
NUCLEOSIDE
PHOSPHORYLASE)


(Geobacillus
stearothermophilus)
PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C)
4 ARG A 168
ASP A 352
GLY A 203
THR A  84
None
1.41A 3k4vB-1brwA:
undetectable
3k4vB-1brwA:
13.01
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.
1c4o DNA NUCLEOTIDE
EXCISION REPAIR
ENZYME UVRB


(Thermus
thermophilus)
PF00271
(Helicase_C)
PF04851
(ResIII)
PF12344
(UvrB)
4 ARG A 487
ASP A 414
GLY A 411
THR A 582
None
1.38A 3k4vB-1c4oA:
undetectable
3k4vB-1c4oA:
9.38
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.
1d9z EXCINUCLEASE UVRABC
COMPONENT UVRB


([Bacillus]
caldotenax)
PF00271
(Helicase_C)
PF04851
(ResIII)
PF12344
(UvrB)
4 ARG A 492
ASP A 419
GLY A 416
THR A 587
None
1.46A 3k4vB-1d9zA:
0.0
3k4vB-1d9zA:
10.16
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.
1eye DIHYDROPTEROATE
SYNTHASE I


(Mycobacterium
tuberculosis)
PF00809
(Pterin_bind)
4 ARG A 173
ASP A  86
GLY A  10
THR A  82
None
PMM  A 301 (-3.2A)
None
None
1.19A 3k4vB-1eyeA:
0.0
3k4vB-1eyeA:
15.11
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.
1g7c ELONGATION FACTOR
1-ALPHA


(Saccharomyces
cerevisiae)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
4 ARG A  67
ASP A  17
GLY A  14
THR A  24
None
1.28A 3k4vB-1g7cA:
0.0
3k4vB-1g7cA:
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.
1jlv GLUTATHIONE
TRANSFERASE GST1-3


(Anopheles
cracens)
PF00043
(GST_C)
PF02798
(GST_N)
4 ARG A  66
ASP A  80
GLY A  77
THR A  18
GSH  A 701 (-3.5A)
None
None
None
1.34A 3k4vB-1jlvA:
undetectable
3k4vB-1jlvA:
18.72
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20)
PF00704
(Glyco_hydro_18)
4 ARG A 379
ASP A 272
GLY A 324
THR A 393
None
GOL  A 530 (-3.7A)
None
None
1.48A 3k4vB-1kfwA:
0.0
3k4vB-1kfwA:
13.54
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE


(Thermotoga
maritima)
PF00128
(Alpha-amylase)
PF09178
(DUF1945)
4 ARG A   9
ASP A 314
GLY A 320
THR A 327
None
1.47A 3k4vB-1lwhA:
undetectable
3k4vB-1lwhA:
12.63
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.
1pn9 GLUTATHIONE
S-TRANSFERASE 1-6


(Anopheles
gambiae)
PF00043
(GST_C)
PF02798
(GST_N)
4 ARG A  66
ASP A  80
GLY A  77
THR A  18
GTX  A 301 (-3.6A)
None
None
None
1.24A 3k4vB-1pn9A:
undetectable
3k4vB-1pn9A:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r53 CHORISMATE SYNTHASE

(Saccharomyces
cerevisiae)
PF01264
(Chorismate_synt)
4 ARG A 224
ASP A 166
GLY A 260
THR A 220
None
1.42A 3k4vB-1r53A:
undetectable
3k4vB-1r53A:
13.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus)
PF00077
(RVP)
4 ARG A   8
ASP A  29
GLY A  48
THR A  80
None
1.04A 3k4vB-1sivA:
18.4
3k4vB-1sivA:
51.96
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.
1tow FATTY ACID-BINDING
PROTEIN, ADIPOCYTE


(Homo sapiens)
PF00061
(Lipocalin)
4 ARG A 106
ASP A  18
GLY A 121
THR A 102
None
0.85A 3k4vB-1towA:
undetectable
3k4vB-1towA:
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.
1tvc METHANE
MONOOXYGENASE
COMPONENT C


(Methylococcus
capsulatus)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
4 ARG A   3
ASP A  36
GLY A 106
THR A  54
None
1.13A 3k4vB-1tvcA:
undetectable
3k4vB-1tvcA:
16.94
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.
1x77 CONSERVED
HYPOTHETICAL PROTEIN


(Pseudomonas
aeruginosa)
PF03358
(FMN_red)
4 ARG A 131
ASP A  96
GLY A  89
THR A  80
None
1.22A 3k4vB-1x77A:
undetectable
3k4vB-1x77A:
20.74
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.
1ysh RIBOSOMAL PROTEIN
L30


(Triticum
aestivum)
PF01248
(Ribosomal_L7Ae)
4 ARG C  85
ASP C  93
GLY C  38
THR C  28
A  F1603 ( 3.2A)
None
None
G  F1605 ( 1.6A)
1.34A 3k4vB-1yshC:
undetectable
3k4vB-1yshC:
18.52
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN


(Thermus
thermophilus)
PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5)
4 ARG B   2
ASP B 176
GLY B  29
THR B  32
None
1.16A 3k4vB-2amcB:
undetectable
3k4vB-2amcB:
8.11
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.
2e7t BASIC AGGLUTININ

(Psophocarpus
tetragonolobus)
PF00139
(Lectin_legB)
4 ARG A  77
ASP A 124
GLY A 104
THR A  34
None
CA  A 303 ( 2.3A)
A2G  A 400 (-3.5A)
None
1.05A 3k4vB-2e7tA:
undetectable
3k4vB-2e7tA:
16.53
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.
2fuq HEPARINASE II
PROTEIN


(Pedobacter
heparinus)
PF07940
(Hepar_II_III)
PF16332
(DUF4962)
4 ARG A 447
ASP A 638
GLY A 625
THR A 633
None
1.14A 3k4vB-2fuqA:
undetectable
3k4vB-2fuqA:
8.86
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.
2gno DNA POLYMERASE III,
GAMMA
SUBUNIT-RELATED
PROTEIN


(Thermotoga
maritima)
PF13177
(DNA_pol3_delta2)
4 ARG A  75
ASP A  63
GLY A  66
THR A 102
None
1.47A 3k4vB-2gnoA:
undetectable
3k4vB-2gnoA:
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.
2hk3 DIPHOSPHOMEVALONATE
DECARBOXYLASE


(Staphylococcus
aureus)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
4 ARG A 200
ASP A 283
GLY A 240
THR A 246
None
1.34A 3k4vB-2hk3A:
undetectable
3k4vB-2hk3A:
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.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes)
PF00534
(Glycos_transf_1)
4 ARG A 199
ASP A 302
GLY A 298
THR A 311
None
1.11A 3k4vB-2iuyA:
undetectable
3k4vB-2iuyA:
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.
2mje ADRENODOXIN HOMOLOG,
MITOCHONDRIAL


(Saccharomyces
cerevisiae)
PF00111
(Fer2)
4 ARG A 107
ASP A 113
GLY A  43
THR A  49
None
1.44A 3k4vB-2mjeA:
undetectable
3k4vB-2mjeA:
22.05
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.
2nzt HEXOKINASE-2

(Homo sapiens)
PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2)
4 ARG A 190
ASP A  84
GLY A 212
THR A 457
None
BG6  A1002 ( 2.8A)
None
None
1.12A 3k4vB-2nztA:
undetectable
3k4vB-2nztA:
8.87
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.
2ocz 3-DEHYDROQUINATE
DEHYDRATASE


(Streptococcus
pyogenes)
PF01487
(DHquinase_I)
4 ARG A 162
ASP A 153
GLY A 182
THR A 175
None
1.47A 3k4vB-2oczA:
undetectable
3k4vB-2oczA:
17.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 ARG A   8
ASP A  29
GLY A  48
THR A  80
AB1  A 501 ( 4.7A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
None
1.08A 3k4vB-2rkfA:
20.7
3k4vB-2rkfA:
82.83
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.
2xsr CATECHOL 1,2
DIOXYGENASE


(Acinetobacter
radioresistens)
PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N)
4 ARG A 272
ASP A 126
GLY A 122
THR A 189
None
1.33A 3k4vB-2xsrA:
undetectable
3k4vB-2xsrA:
17.25
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus)
PF01979
(Amidohydro_1)
4 ARG A  59
ASP A  83
GLY A  80
THR A 305
None
1.27A 3k4vB-2z00A:
undetectable
3k4vB-2z00A:
11.97
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus)
PF13091
(PLDc_2)
4 ARG A  66
ASP A 189
GLY A 186
THR A  50
None
1.24A 3k4vB-2ze4A:
undetectable
3k4vB-2ze4A:
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.
3amj ZINC PEPTIDASE
ACTIVE SUBUNIT


(Sphingomonas
sp. A1)
no annotation 4 ARG C 136
ASP C 202
GLY C  74
THR C 115
None
1.41A 3k4vB-3amjC:
undetectable
3k4vB-3amjC:
11.95
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN


(Methylobacillus
flagellatus)
PF03069
(FmdA_AmdA)
4 ARG A 142
ASP A 464
GLY A 291
THR A 109
None
EDO  A 494 ( 3.7A)
MG  A 485 ( 4.2A)
None
1.39A 3k4vB-3b9tA:
undetectable
3k4vB-3b9tA:
12.32
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.
3bqx GLYOXALASE-RELATED
ENZYME


(Fulvimarina
pelagi)
PF00903
(Glyoxalase)
4 ARG A  89
ASP A 102
GLY A 108
THR A  81
None
1.40A 3k4vB-3bqxA:
undetectable
3k4vB-3bqxA:
20.51
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.
3bzj UV ENDONUCLEASE

(Thermus
thermophilus)
PF03851
(UvdE)
4 ARG A 218
ASP A 265
GLY A 226
THR A 223
None
0.96A 3k4vB-3bzjA:
undetectable
3k4vB-3bzjA:
14.62
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.
3e2v 3'-5'-EXONUCLEASE

(Saccharomyces
cerevisiae)
PF01026
(TatD_DNase)
4 ARG A 181
ASP A 327
GLY A 299
THR A 412
None
MG  A 427 (-2.5A)
None
None
1.04A 3k4vB-3e2vA:
undetectable
3k4vB-3e2vA:
12.72
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.
3evr MYOSIN LIGHT CHAIN
KINASE, GREEN
FLUORESCENT PROTEIN,
CALMODULIN-1 CHIMERA


(Aequorea
victoria;
Rattus
norvegicus)
PF01353
(GFP)
PF13499
(EF-hand_7)
4 ARG A 377
ASP A 367
GLY A 362
THR A 138
CRO  A 224 ( 4.9A)
CA  A   1 (-3.5A)
None
None
1.30A 3k4vB-3evrA:
undetectable
3k4vB-3evrA:
13.76
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.
3f83 FUSION OF THE MINOR
PILIN CFAE AND MAJOR
PILIN CFAB


(Escherichia
coli)
PF04449
(Fimbrial_CS1)
PF07434
(CblD)
4 ARG A 232
ASP A 256
GLY A 263
THR A 291
None
1.48A 3k4vB-3f83A:
undetectable
3k4vB-3f83A:
11.33
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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E


(Bacillus
subtilis)
PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C)
4 ARG A 302
ASP A  46
GLY A  17
THR A 150
SO4  A   2 (-2.8A)
None
None
None
1.47A 3k4vB-3fefA:
undetectable
3k4vB-3fefA:
12.96
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.
3gc2 O-SUCCINYLBENZOATE
SYNTHASE


(Salmonella
enterica)
PF13378
(MR_MLE_C)
4 ARG A 246
ASP A 213
GLY A 288
THR A 282
None
NA  A 321 (-3.3A)
SIN  A 400 (-3.2A)
None
1.25A 3k4vB-3gc2A:
undetectable
3k4vB-3gc2A:
16.49
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.
3h1t TYPE I SITE-SPECIFIC
RESTRICTION-MODIFICA
TION SYSTEM, R
(RESTRICTION)
SUBUNIT


(Vibrio
vulnificus)
PF00271
(Helicase_C)
PF04851
(ResIII)
PF13588
(HSDR_N_2)
4 ARG A 457
ASP A 431
GLY A 586
THR A 422
None
1.18A 3k4vB-3h1tA:
undetectable
3k4vB-3h1tA:
10.78
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.
3la6 TYROSINE-PROTEIN
KINASE WZC


(Escherichia
coli)
PF13614
(AAA_31)
4 ARG A 657
ASP A 564
GLY A 533
THR A 662
None
CA  A1001 (-4.6A)
None
None
1.26A 3k4vB-3la6A:
undetectable
3k4vB-3la6A:
18.49
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.
3mwt NUCLEOPROTEIN

(Lassa
mammarenavirus)
PF00843
(Arena_nucleocap)
PF17290
(Arena_ncap_C)
4 ARG A  18
ASP A 260
GLY A 255
THR A 210
None
1.49A 3k4vB-3mwtA:
undetectable
3k4vB-3mwtA:
9.68
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.
3nhv BH2092 PROTEIN

(Bacillus
halodurans)
PF00581
(Rhodanese)
4 ARG A 115
ASP A  53
GLY A 122
THR A  33
None
1.29A 3k4vB-3nhvA:
undetectable
3k4vB-3nhvA:
19.05
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.
3nr3 PMP2 PROTEIN

(Homo sapiens)
PF00061
(Lipocalin)
4 ARG A 107
ASP A  19
GLY A 122
THR A 103
PLM  A 901 (-3.7A)
SO4  A 904 (-3.7A)
None
None
1.05A 3k4vB-3nr3A:
undetectable
3k4vB-3nr3A:
19.55
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.
3o3w BH2092 PROTEIN

(Bacillus
halodurans)
PF00581
(Rhodanese)
4 ARG A 115
ASP A  53
GLY A 122
THR A  33
None
1.42A 3k4vB-3o3wA:
undetectable
3k4vB-3o3wA:
18.66
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.
3ocm PUTATIVE MEMBRANE
PROTEIN


(Bordetella
parapertussis)
PF00571
(CBS)
4 ARG A 383
ASP A 343
GLY A 440
THR A 443
None
None
None
ADP  A 470 (-3.0A)
1.31A 3k4vB-3ocmA:
undetectable
3k4vB-3ocmA:
19.77
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.
3oev PROTEASOME COMPONENT
C1


(Saccharomyces
cerevisiae)
PF00227
(Proteasome)
PF10584
(Proteasome_A_N)
4 ARG F  93
ASP F 114
GLY F 155
THR F 136
None
1.19A 3k4vB-3oevF:
undetectable
3k4vB-3oevF:
16.10
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.
3pkj NAD-DEPENDENT
DEACETYLASE
SIRTUIN-6


(Homo sapiens)
PF02146
(SIR2)
4 ARG A  88
ASP A  61
GLY A  50
THR A  92
None
A2N  A1000 (-4.0A)
A2N  A1000 (-3.2A)
None
1.30A 3k4vB-3pkjA:
undetectable
3k4vB-3pkjA:
14.77
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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE


(Candida
albicans)
PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1)
4 ARG A 625
ASP A 303
GLY A 300
THR A 253
None
1.44A 3k4vB-3ppcA:
undetectable
3k4vB-3ppcA:
9.17
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.
3q0c HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH5


(Arabidopsis
thaliana)
no annotation 4 ARG X 515
ASP X 396
GLY X 386
THR X 366
None
1.47A 3k4vB-3q0cX:
undetectable
3k4vB-3q0cX:
20.89
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.
3sqg METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT


(uncultured
archaeon)
PF02240
(MCR_gamma)
4 ARG C 101
ASP C 207
GLY C 166
THR C 145
None
1.50A 3k4vB-3sqgC:
undetectable
3k4vB-3sqgC:
16.37
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.
3sxp ADP-L-GLYCERO-D-MANN
OHEPTOSE-6-EPIMERASE


(Helicobacter
pylori)
PF01370
(Epimerase)
4 ARG A 227
ASP A 169
GLY A 152
THR A 145
None
1.14A 3k4vB-3sxpA:
undetectable
3k4vB-3sxpA:
15.48
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE


(Pantoea
ananatis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 ARG A 167
ASP A 223
GLY A 159
THR A 163
None
MG  A 501 ( 2.5A)
None
None
1.18A 3k4vB-3t6cA:
undetectable
3k4vB-3t6cA:
13.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 ARG A   8
ASP A  29
GLY A  48
THR A  80
017  A 201 ( 4.8A)
017  A 201 (-3.3A)
None
None
0.97A 3k4vB-3ttpA:
19.4
3k4vB-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 ARG A   8
ASP A  29
GLY A  48
THR A  80
None
017  A 201 (-3.2A)
017  A 202 ( 4.6A)
None
1.01A 3k4vB-3u7sA:
19.9
3k4vB-3u7sA:
76.77
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.
3ugm TAL EFFECTOR
AVRBS3/PTHA


(Xanthomonas
oryzae)
PF03377
(TAL_effector)
4 ARG A 414
ASP A 437
GLY A 370
THR A 377
None
1.44A 3k4vB-3ugmA:
undetectable
3k4vB-3ugmA:
6.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ugm TAL EFFECTOR
AVRBS3/PTHA


(Xanthomonas
oryzae)
PF03377
(TAL_effector)
4 ARG A 719
ASP A 742
GLY A 675
THR A 682
None
1.47A 3k4vB-3ugmA:
undetectable
3k4vB-3ugmA:
6.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vac CFA/I FIMBRIAL
SUBUNIT E


(Escherichia
coli)
PF07434
(CblD)
4 ARG A 232
ASP A 256
GLY A 263
THR A 291
None
1.49A 3k4vB-3vacA:
undetectable
3k4vB-3vacA:
14.70
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.
3wxr PROBABLE PROTEASOME
SUBUNIT ALPHA TYPE-7


(Saccharomyces
cerevisiae)
PF00227
(Proteasome)
PF10584
(Proteasome_A_N)
4 ARG G  92
ASP G 113
GLY G 154
THR G 135
None
1.29A 3k4vB-3wxrG:
undetectable
3k4vB-3wxrG:
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
4 ARG A 422
ASP A 367
GLY A 394
THR A 296
None
1.47A 3k4vB-4cakA:
undetectable
3k4vB-4cakA:
5.90
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.
4f9o HEXOKINASE-1

(Homo sapiens)
PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2)
4 ARG A 638
ASP A 532
GLY A 660
THR A 905
None
0NZ  A1004 (-2.9A)
None
None
1.24A 3k4vB-4f9oA:
undetectable
3k4vB-4f9oA:
8.88
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE


(Parabacteroides
distasonis)
PF13859
(BNR_3)
PF14873
(BNR_assoc_N)
4 ARG A 236
ASP A 193
GLY A 187
THR A 243
PO4  A 609 (-3.0A)
None
GOL  A 603 (-4.7A)
None
1.30A 3k4vB-4fj6A:
undetectable
3k4vB-4fj6A:
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.
4g3h ARGINASE (ROCF)

(Helicobacter
pylori)
PF00491
(Arginase)
4 ARG A 196
ASP A 206
GLY A 183
THR A 187
None
1.37A 3k4vB-4g3hA:
undetectable
3k4vB-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.
4hpz DTALE2

(Xanthomonas)
PF03377
(TAL_effector)
4 ARG A 380
ASP A 369
GLY A 336
THR A 343
None
1.46A 3k4vB-4hpzA:
undetectable
3k4vB-4hpzA:
13.94
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.
4ifp MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NACHT, LRR
AND PYD
DOMAINS-CONTAINING
PROTEIN 1


(Escherichia
coli;
Homo sapiens)
PF00619
(CARD)
PF13416
(SBP_bac_8)
4 ARG A 345
ASP A 185
GLY A 167
THR A 158
None
1.17A 3k4vB-4ifpA:
undetectable
3k4vB-4ifpA:
14.55
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.
4izd ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN


(Ruegeria
pomeroyi)
PF00378
(ECH_1)
4 ARG A 155
ASP A 167
GLY A 172
THR A 148
None
1.27A 3k4vB-4izdA:
undetectable
3k4vB-4izdA:
16.85
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.
4nns FATTY ACID-BINDING
PROTEIN, ADIPOCYTE


(Homo sapiens)
PF00061
(Lipocalin)
4 ARG A 106
ASP A  18
GLY A 121
THR A 102
75D  A 201 ( 4.6A)
None
None
None
1.04A 3k4vB-4nnsA:
undetectable
3k4vB-4nnsA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oh7 ORNITHINE
CARBAMOYLTRANSFERASE


(Brucella
melitensis)
PF00185
(OTCace)
PF02729
(OTCace_N)
4 ARG A  59
ASP A 133
GLY A 164
THR A 227
None
1.50A 3k4vB-4oh7A:
undetectable
3k4vB-4oh7A:
15.31
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.
4q2e PHOSPHATIDATE
CYTIDYLYLTRANSFERASE


(Thermotoga
maritima)
PF01148
(CTP_transf_1)
4 ARG A  74
ASP A 269
GLY A 262
THR A 257
None
MG  A 304 ( 2.8A)
None
None
1.34A 3k4vB-4q2eA:
undetectable
3k4vB-4q2eA:
16.21
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN


(Bacteroides
caccae)
PF13088
(BNR_2)
PF14873
(BNR_assoc_N)
4 ARG A 256
ASP A 213
GLY A 207
THR A 263
None
1.31A 3k4vB-4q6kA:
undetectable
3k4vB-4q6kA:
11.65
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.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2


(Erythrobacter
litoralis)
PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2)
4 ARG A 277
ASP A 283
GLY A 286
THR A 318
None
None
ANP  A 401 (-3.9A)
None
1.11A 3k4vB-4r3aA:
undetectable
3k4vB-4r3aA:
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.
4rdj CAPSID

(Norwalk virus)
PF00915
(Calici_coat)
PF08435
(Calici_coat_C)
4 ARG A 396
ASP A 374
GLY A 303
THR A 362
None
1.09A 3k4vB-4rdjA:
undetectable
3k4vB-4rdjA:
15.54
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.
4tuf MAJOR EXTRACELLULAR
ENDOGLUCANASE


(Xanthomonas
campestris)
PF00150
(Cellulase)
4 ARG A 167
ASP A 139
GLY A  55
THR A  95
None
2HP  A 406 (-2.9A)
None
None
1.17A 3k4vB-4tufA:
undetectable
3k4vB-4tufA:
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.
4tvm CITRATE SYNTHASE

(Mycobacterium
tuberculosis)
PF00285
(Citrate_synt)
4 ARG A 282
ASP A 366
GLY A 269
THR A 380
None
OAA  A 501 ( 4.6A)
None
None
1.45A 3k4vB-4tvmA:
undetectable
3k4vB-4tvmA:
13.44
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.
4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5
R-SPONDIN-2


(Homo sapiens)
PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8)
PF15913
(Furin-like_2)
4 ARG A 165
ASP B 102
GLY B 116
THR B 138
None
1.27A 3k4vB-4ufsA:
undetectable
3k4vB-4ufsA:
10.91
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.
4upi SULFATASE FAMILY
PROTEIN


(Ruegeria
pomeroyi)
PF00884
(Sulfatase)
4 ARG A  67
ASP A 107
GLY A  81
THR A  62
None
1.47A 3k4vB-4upiA:
undetectable
3k4vB-4upiA:
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.
4ux3 MITOTIC CHROMOSOME
DETERMINANT-RELATED
PROTEIN
STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
3


(Saccharomyces
cerevisiae)
PF02463
(SMC_N)
PF04825
(Rad21_Rec8_N)
4 ARG A 130
ASP A1146
GLY A 171
THR B  70
None
1.17A 3k4vB-4ux3A:
undetectable
3k4vB-4ux3A:
10.34
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.
4xqk LLABIII

(Lactococcus
lactis)
PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2)
4 ARG A 596
ASP A 424
GLY A 414
THR A 207
None
1.44A 3k4vB-4xqkA:
undetectable
3k4vB-4xqkA:
5.34
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.
4ysb METALLO-BETA-LACTAMA
SE FAMILY PROTEIN


(Myxococcus
xanthus)
PF00753
(Lactamase_B)
4 ARG A 134
ASP A 151
GLY A 111
THR A 127
None
1.39A 3k4vB-4ysbA:
undetectable
3k4vB-4ysbA:
15.45
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.
5bqt PUTATIVE HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TRMBL2


(Pyrococcus
furiosus)
PF01978
(TrmB)
PF11495
(Regulator_TrmB)
4 ARG A 172
ASP A 195
GLY A 200
THR A 176
None
1.30A 3k4vB-5bqtA:
undetectable
3k4vB-5bqtA:
17.00
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.
5g4g VCP-LIKE ATPASE

(Thermoplasma
acidophilum)
PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2)
4 ARG A 407
ASP A 191
GLY A 193
THR A 235
None
1.49A 3k4vB-5g4gA:
undetectable
3k4vB-5g4gA:
9.48
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.
5jh8 PROBABLE CHITINASE

(Chromobacterium
violaceum)
PF00704
(Glyco_hydro_18)
4 ARG A 223
ASP A 177
GLY A 218
THR A 268
None
6KY  A 504 (-2.6A)
None
None
1.34A 3k4vB-5jh8A:
undetectable
3k4vB-5jh8A:
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.
5jtv UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7


(Homo sapiens)
PF00443
(UCH)
PF14533
(USP7_C2)
4 ARG A 262
ASP A 482
GLY A 220
THR A 280
None
1.37A 3k4vB-5jtvA:
undetectable
3k4vB-5jtvA:
11.05
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT


(Xanthobacter
autotrophicus)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N)
4 ARG B 375
ASP B  24
GLY B 473
THR B 313
None
MG  B 802 (-3.0A)
AMP  B 801 (-3.3A)
None
1.33A 3k4vB-5m45B:
undetectable
3k4vB-5m45B:
9.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mu5 UNCHARACTERIZED
PROTEIN


(Magnetospirillum
magneticum)
no annotation 4 ARG A 478
ASP A 415
GLY A 279
THR A 392
None
1.29A 3k4vB-5mu5A:
undetectable
3k4vB-5mu5A:
10.31
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1)
no annotation 4 ARG B 390
ASP B 256
GLY A 951
THR B 112
None
1.41A 3k4vB-5nd1B:
undetectable
3k4vB-5nd1B:
19.81
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.
5njf METALLOPROTEASE PMBA

(Escherichia
coli)
PF01523
(PmbA_TldD)
4 ARG B  15
ASP B  63
GLY B  45
THR B 185
None
1.50A 3k4vB-5njfB:
undetectable
3k4vB-5njfB:
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.
5ope ROUNDABOUT HOMOLOG 1

(Homo sapiens)
no annotation 4 ARG A 261
ASP A 178
GLY A 236
THR A 230
None
1.37A 3k4vB-5opeA:
undetectable
3k4vB-5opeA:
19.23
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.
5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN


(Danio rerio;
Escherichia
coli)
PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8)
4 ARG A 344
ASP A 184
GLY A 166
THR A 157
GLC  A1409 (-3.9A)
None
None
None
1.16A 3k4vB-5t03A:
undetectable
3k4vB-5t03A:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t50 LECTIN

(Bauhinia
forficata)
PF00139
(Lectin_legB)
4 ARG A  70
ASP A 120
GLY A  95
THR A  32
None
CA  A 302 ( 2.2A)
EDO  A 307 ( 3.9A)
None
1.48A 3k4vB-5t50A:
undetectable
3k4vB-5t50A:
18.33
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.
5u89 AMINO ACID
ADENYLATION DOMAIN
PROTEIN


(Geobacillus sp.
Y4.1MC1)
PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF13193
(AMP-binding_C)
4 ARG A1473
ASP A1278
GLY A1275
THR A1465
None
1.45A 3k4vB-5u89A:
undetectable
3k4vB-5u89A:
6.76
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii)
no annotation 4 ARG A  39
ASP A 183
GLY A 317
THR A  33
None
1.20A 3k4vB-5ybwA:
undetectable
3k4vB-5ybwA:
23.58
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.
5yj6 DOCKERIN TYPE I
REPEAT-CONTAINING
PROTEIN


(Ruminiclostridium
thermocellum)
no annotation 4 ARG A 259
ASP A 118
GLY A  64
THR A  84
None
1.09A 3k4vB-5yj6A:
undetectable
3k4vB-5yj6A:
24.51
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.
6apx MALTOSE-BINDING
PERIPLASMIC
PROTEIN,DUAL
SPECIFICITY PROTEIN
PHOSPHATASE 1


(Escherichia
coli;
Homo sapiens)
no annotation 4 ARG A 344
ASP A 197
GLY A 191
THR A 157
None
1.44A 3k4vB-6apxA:
undetectable
3k4vB-6apxA:
11.33
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2


(Saccharomyces
cerevisiae)
no annotation 4 ARG B 227
ASP B 604
GLY B 559
THR B 336
None
1.35A 3k4vB-6f42B:
undetectable
3k4vB-6f42B:
23.23
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.
6f5o RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT


(Influenza B
virus)
no annotation 4 ARG B 249
ASP B 172
GLY B 157
THR B 146
None
1.24A 3k4vB-6f5oB:
undetectable
3k4vB-6f5oB:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2)
PF00077
(RVP)
4 ARG A   8
ASP A  29
GLY A  48
THR A  80
None
1.26A 3k4vB-6upjA:
17.9
3k4vB-6upjA:
49.49