SIMILAR PATTERNS OF AMINO ACIDS FOR 2VCT_D_ASDD1223_1

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.
1d5c RAB6 GTPASE

(Plasmodium
falciparum)
PF00071
(Ras)
4 ILE A  44
GLY A  45
LEU A  76
PHE A  73
None
0.90A 2vctD-1d5cA:
undetectable
2vctD-1d5cA:
22.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gul GLUTATHIONE
TRANSFERASE A4-4


(Homo sapiens)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 TYR A   9
GLY A  14
ARG A  15
PHE A 111
None
0.57A 2vctD-1gulA:
33.3
2vctD-1gulA:
54.05
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.
1gzh TUMOR SUPPRESSOR
P53-BINDING PROTEIN
1


(Homo sapiens)
no annotation 4 ILE B1859
GLY B1851
ARG B1811
LEU B1854
None
0.97A 2vctD-1gzhB:
2.2
2vctD-1gzhB:
21.09
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.
1jk0 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SMALL CHAIN 2


(Saccharomyces
cerevisiae)
PF00268
(Ribonuc_red_sm)
4 ILE B 121
GLY B 118
LEU B 108
PHE B 182
None
0.99A 2vctD-1jk0B:
0.0
2vctD-1jk0B:
22.25
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.
1rni ORF904

(Sulfolobus
islandicus)
PF09250
(Prim-Pol)
4 TYR A  98
ILE A 100
GLY A 181
LEU A 209
None
1.02A 2vctD-1rniA:
0.0
2vctD-1rniA:
23.75
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.
1t11 TRIGGER FACTOR

(Vibrio cholerae)
PF00254
(FKBP_C)
PF05697
(Trigger_N)
PF05698
(Trigger_C)
4 TYR A 221
ILE A 195
GLY A 293
PHE A 233
None
0.95A 2vctD-1t11A:
0.0
2vctD-1t11A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t2k INTERFERON
REGULATORY FACTOR 3


(Homo sapiens)
PF00605
(IRF)
4 TYR A 107
ILE A  36
ARG A  81
PHE A  54
None
0.99A 2vctD-1t2kA:
undetectable
2vctD-1t2kA:
19.73
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.
1vdw HYPOTHETICAL PROTEIN
PH1897


(Pyrococcus
horikoshii)
PF00459
(Inositol_P)
4 TYR A 113
ILE A 128
GLY A 127
LEU A 135
None
0.97A 2vctD-1vdwA:
1.1
2vctD-1vdwA:
22.87
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.
1w2d INOSITOL-TRISPHOSPHA
TE 3-KINASE A


(Homo sapiens)
PF03770
(IPK)
4 TYR A 373
GLY A 411
LEU A 252
PHE A 255
None
None
ADP  A1462 ( 4.5A)
None
1.01A 2vctD-1w2dA:
0.0
2vctD-1w2dA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE


(Streptococcus
pneumoniae)
PF03070
(TENA_THI-4)
4 ILE A 169
GLY A 153
LEU A 148
PHE A  33
None
1.04A 2vctD-1z72A:
undetectable
2vctD-1z72A:
19.33
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.
2dpp NITRILE HYDRATASE
BETA SUBUNIT


(Bacillus sp.
RAPc8)
PF02211
(NHase_beta)
4 ILE B 148
GLY B 170
LEU B 206
PHE B 161
None
1.03A 2vctD-2dppB:
undetectable
2vctD-2dppB:
22.86
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.
2f0c PHAGE TP901-1 ORF49
(BPP)


(Lactococcus
phage TP901-1)
PF08931
(Caudo_bapla_RBP)
4 TYR A  88
ILE A  90
GLY A 156
PHE A 132
None
1.01A 2vctD-2f0cA:
undetectable
2vctD-2f0cA:
19.91
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.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
4 TYR A 367
ILE A 102
GLY A 103
LEU A 110
None
0.93A 2vctD-2fpqA:
undetectable
2vctD-2fpqA:
17.85
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.
2g9f PEPTIDE N-GLYCANASE

(Mus musculus)
PF04721
(PAW)
5 ILE A 511
GLY A 517
LEU A 477
PHE A 478
PHE A 490
None
None
None
GOL  A 103 ( 4.7A)
None
1.40A 2vctD-2g9fA:
undetectable
2vctD-2g9fA:
23.21
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.
2gkd CALC

(Micromonospora
echinospora)
no annotation 4 ILE A 140
GLY A 136
LEU A  83
PHE A  65
None
0.89A 2vctD-2gkdA:
undetectable
2vctD-2gkdA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iu5 HTH-TYPE DHAKLM
OPERON
TRANSCRIPTIONAL
ACTIVATOR DHAS


(Lactococcus
lactis)
PF00440
(TetR_N)
4 ILE A 154
LEU A 108
PHE A 107
PHE A  62
None
1.00A 2vctD-2iu5A:
undetectable
2vctD-2iu5A:
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.
2j4l URIDYLATE KINASE

(Sulfolobus
solfataricus)
PF00696
(AA_kinase)
4 ILE A   4
GLY A  38
PHE A  98
PHE A 113
None
0.81A 2vctD-2j4lA:
undetectable
2vctD-2j4lA:
22.71
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.
2olt HYPOTHETICAL PROTEIN

(Shewanella
oneidensis)
PF01865
(PhoU_div)
4 ILE A 107
GLY A 104
LEU A  32
PHE A  35
None
1.05A 2vctD-2oltA:
2.6
2vctD-2oltA:
22.40
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.
2pa5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 9


(Homo sapiens)
PF00102
(Y_phosphatase)
4 ILE A 511
LEU A 528
PHE A 525
PHE A 483
None
1.05A 2vctD-2pa5A:
undetectable
2vctD-2pa5A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2poe CYCLOPHILIN-LIKE
PROTEIN, PUTATIVE


(Cryptosporidium
parvum)
PF00160
(Pro_isomerase)
4 ILE A  21
LEU A  47
PHE A  44
PHE A 138
None
1.01A 2vctD-2poeA:
undetectable
2vctD-2poeA:
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.
2qn0 NEUROTOXIN

(Clostridium
botulinum)
PF01742
(Peptidase_M27)
4 TYR A 367
ILE A 102
GLY A 103
LEU A 110
None
1.01A 2vctD-2qn0A:
undetectable
2vctD-2qn0A:
18.48
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.
2rfo NUCLEOPORIN NIC96

(Saccharomyces
cerevisiae)
PF04097
(Nic96)
4 ILE A 532
GLY A 489
LEU A 515
PHE A 516
None
1.01A 2vctD-2rfoA:
2.5
2vctD-2rfoA:
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.
2xfs ORF12

(Streptomyces
clavuligerus)
PF13354
(Beta-lactamase2)
4 GLY A 414
LEU A 401
PHE A 385
PHE A 374
J01  A 600 ( 4.7A)
None
J01  A 600 (-4.7A)
None
1.01A 2vctD-2xfsA:
undetectable
2vctD-2xfsA:
19.83
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.
2xs2 DELETED IN
AZOOSPERMIA-LIKE


(Mus musculus)
PF00076
(RRM_1)
4 GLY A  46
LEU A 110
PHE A  43
PHE A  84
None
None
U  B   4 ( 3.5A)
U  B   5 ( 3.5A)
0.91A 2vctD-2xs2A:
undetectable
2vctD-2xs2A:
18.86
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.
3aje PUTATIVE
UNCHARACTERIZED
PROTEIN ST1526


(Sulfurisphaera
tokodaii)
PF01300
(Sua5_yciO_yrdC)
PF03481
(SUA5)
4 TYR A  38
ILE A 171
GLY A 173
LEU A  10
None
0.92A 2vctD-3ajeA:
undetectable
2vctD-3ajeA:
22.73
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.
3b9i GITR LIGAND

(Mus musculus)
no annotation 4 TYR A 136
ILE A  91
GLY A 133
LEU A 130
None
0.81A 2vctD-3b9iA:
undetectable
2vctD-3b9iA:
21.08
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.
3blx ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT 2


(Saccharomyces
cerevisiae)
PF00180
(Iso_dh)
4 ILE B   8
GLY B   9
LEU B 109
PHE B 110
None
0.96A 2vctD-3blxB:
undetectable
2vctD-3blxB:
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.
3bw2 2-NITROPROPANE
DIOXYGENASE


(Streptomyces
ansochromogenes)
PF03060
(NMO)
4 ILE A 223
GLY A 220
ARG A 219
PHE A 240
None
1.04A 2vctD-3bw2A:
undetectable
2vctD-3bw2A:
20.97
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.
3cin MYO-INOSITOL-1-PHOSP
HATE
SYNTHASE-RELATED
PROTEIN


(Thermotoga
maritima)
PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5)
4 ILE A  41
GLY A  42
ARG A  37
LEU A  23
None
1.02A 2vctD-3cinA:
undetectable
2vctD-3cinA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE


(Thermus
thermophilus)
PF06325
(PrmA)
4 ILE A 136
GLY A 132
LEU A 155
PHE A 171
None
1.00A 2vctD-3cjtA:
undetectable
2vctD-3cjtA:
23.16
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.
3cvw RE11660P

(Drosophila
melanogaster)
PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7)
4 TYR A 114
ILE A  50
GLY A  49
PHE A  44
None
FO1  A1422 (-4.4A)
None
FO1  A1422 (-4.1A)
1.01A 2vctD-3cvwA:
undetectable
2vctD-3cvwA:
17.15
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.
3e79 HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37


(Mycoplasma
hyorhinis)
PF06646
(Mycoplasma_p37)
4 TYR A 162
ILE A 336
GLY A 165
PHE A 243
None
0.84A 2vctD-3e79A:
undetectable
2vctD-3e79A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fkq NTRC-LIKE TWO-DOMAIN
PROTEIN


([Eubacterium]
rectale)
PF13614
(AAA_31)
4 ILE A 325
GLY A 326
LEU A 343
PHE A 129
None
0.67A 2vctD-3fkqA:
undetectable
2vctD-3fkqA:
21.09
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.
3gaa UNCHARACTERIZED
PROTEIN TA1441


(Thermoplasma
acidophilum)
PF09754
(PAC2)
4 ILE A 171
GLY A 168
PHE A  33
PHE A  79
None
1.01A 2vctD-3gaaA:
undetectable
2vctD-3gaaA:
22.66
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.
3gd9 LAMINARIPENTAOSE-PRO
DUCING
BETA-1,3-GULUASE
(LPHASE)


(Streptomyces
matensis)
PF16483
(Glyco_hydro_64)
4 TYR A 155
GLY A 114
LEU A 133
PHE A  78
None
1.03A 2vctD-3gd9A:
undetectable
2vctD-3gd9A:
22.89
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.
3gdc MULTICOPPER OXIDASE

(Arthrobacter
sp. FB24)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
4 ILE A 266
GLY A 265
ARG A 264
PHE A 137
None
1.00A 2vctD-3gdcA:
undetectable
2vctD-3gdcA:
22.56
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.
3h1n PROBABLE GLUTATHIONE
S-TRANSFERASE


(Bordetella
bronchiseptica)
PF14497
(GST_C_3)
4 TYR A   7
ILE A  11
GLY A  13
ARG A  14
None
None
CL  A 234 (-3.6A)
None
0.75A 2vctD-3h1nA:
20.6
2vctD-3h1nA:
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.
3h1w MANNOSE-6-PHOSPHATE
ISOMERASE


(Salmonella
enterica)
PF01238
(PMI_typeI)
4 GLY A 276
LEU A 187
PHE A 184
PHE A 148
EDO  A 393 ( 3.7A)
EDO  A 394 ( 4.0A)
EDO  A 394 (-4.3A)
None
0.77A 2vctD-3h1wA:
undetectable
2vctD-3h1wA:
23.42
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.
3h6z POLYCOMB PROTEIN
SFMBT


(Drosophila
melanogaster)
PF02820
(MBT)
4 ILE A 603
GLY A 605
LEU A 967
PHE A 675
None
1.02A 2vctD-3h6zA:
undetectable
2vctD-3h6zA:
18.26
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.
3hhd FATTY ACID SYNTHASE

(Homo sapiens)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
4 ILE A 290
GLY A 389
LEU A 276
PHE A 393
None
0.90A 2vctD-3hhdA:
undetectable
2vctD-3hhdA:
12.91
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.
3hjz TRANSALDOLASE B

(Prochlorococcus
marinus)
PF00923
(TAL_FSA)
4 ILE A  92
GLY A  94
ARG A  95
LEU A 244
None
0.79A 2vctD-3hjzA:
undetectable
2vctD-3hjzA:
24.25
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.
3hps 2-ISOPROPYLMALATE
SYNTHASE


(Mycobacterium
tuberculosis)
PF00682
(HMGL-like)
PF08502
(LeuA_dimer)
4 ILE A 134
LEU A 102
PHE A  99
PHE A 124
None
0.81A 2vctD-3hpsA:
undetectable
2vctD-3hpsA:
15.68
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.
3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE


(Vibrio cholerae)
PF01565
(FAD_binding_4)
PF02873
(MurB_C)
4 ILE A  60
GLY A  63
LEU A  67
PHE A  68
FAD  A 358 (-4.0A)
FAD  A 358 (-3.3A)
None
None
0.91A 2vctD-3i99A:
undetectable
2vctD-3i99A:
20.56
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.
3ieh PUTATIVE
METALLOPEPTIDASE


(Shewanella
baltica)
PF04952
(AstE_AspA)
4 ILE A 165
GLY A 241
LEU A 269
PHE A 266
None
0.71A 2vctD-3iehA:
undetectable
2vctD-3iehA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3irz URO-ADHERENCE FACTOR
A


(Staphylococcus
saprophyticus)
PF17210
(SdrD_B)
4 ILE A 685
GLY A 661
LEU A 654
PHE A 587
None
1.03A 2vctD-3irzA:
undetectable
2vctD-3irzA:
18.14
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.
3mpn TRANSPORTER

(Aquifex
aeolicus)
PF00209
(SNF)
4 TYR A 108
GLY A 352
LEU A 347
PHE A 324
LEU  A 601 (-4.5A)
NA  A 751 ( 4.8A)
None
None
0.87A 2vctD-3mpnA:
undetectable
2vctD-3mpnA:
18.90
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.
3opb SWI5-DEPENDENT HO
EXPRESSION PROTEIN 4


(Saccharomyces
cerevisiae)
PF11701
(UNC45-central)
4 ILE A 698
LEU A 715
PHE A 718
PHE A 722
None
0.97A 2vctD-3opbA:
3.4
2vctD-3opbA:
14.16
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.
3owt DNA-BINDING PROTEIN
RAP1


(Saccharomyces
cerevisiae)
PF11626
(Rap1_C)
4 ILE A 746
GLY A 745
PHE A 716
PHE A 773
None
0.99A 2vctD-3owtA:
undetectable
2vctD-3owtA:
22.87
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.
3p54 ENVELOPE
GLYCOPROTEIN


(Japanese
encephalitis
virus)
PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C)
4 GLY A 145
LEU A  41
PHE A 142
PHE A   1
None
0.98A 2vctD-3p54A:
undetectable
2vctD-3p54A:
20.49
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.
3unv ADMH

(Pantoea
agglomerans)
PF00221
(Lyase_aromatic)
4 ILE A 322
GLY A 256
LEU A 290
PHE A 399
None
1.03A 2vctD-3unvA:
3.1
2vctD-3unvA:
16.64
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.
3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE


(Sulfolobus
solfataricus)
PF00128
(Alpha-amylase)
PF09071
(Alpha-amyl_C)
5 TYR A 397
ILE A 473
GLY A 420
ARG A 387
LEU A 465
None
1.19A 2vctD-3vgfA:
undetectable
2vctD-3vgfA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w0l GLUCOKINASE

(Xenopus laevis)
PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2)
4 TYR A 208
ILE A 204
GLY A  65
LEU A 137
None
0.84A 2vctD-3w0lA:
undetectable
2vctD-3w0lA:
19.22
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.
3wzs UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN


(Chaetomium
thermophilum)
PF06427
(UDP-g_GGTase)
4 ILE A 675
GLY A 808
LEU A 703
PHE A 803
None
None
PQE  A2000 ( 4.8A)
None
1.03A 2vctD-3wzsA:
2.2
2vctD-3wzsA:
21.19
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.
3zo0 E3 UBIQUITIN-PROTEIN
LIGASE TRIM21


(Mus musculus)
PF00622
(SPRY)
PF13765
(PRY)
4 ILE B 130
GLY B  79
LEU B  54
PHE B  59
None
0.79A 2vctD-3zo0B:
undetectable
2vctD-3zo0B:
20.70
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.
4a4l SERINE/THREONINE-PRO
TEIN KINASE PLK1


(Homo sapiens)
PF00069
(Pkinase)
4 ILE A 237
GLY A 238
LEU A 245
PHE A 305
None
0.92A 2vctD-4a4lA:
undetectable
2vctD-4a4lA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhi GAMMA-BUTYROBETAINE
DIOXYGENASE


(Homo sapiens)
PF02668
(TauD)
PF06155
(DUF971)
4 ILE A 289
GLY A 234
LEU A 320
PHE A 317
None
0.65A 2vctD-4bhiA:
undetectable
2vctD-4bhiA:
21.35
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.
4bjt DNA-BINDING PROTEIN
RAP1


(Saccharomyces
cerevisiae)
PF11626
(Rap1_C)
4 ILE A 746
GLY A 745
PHE A 716
PHE A 773
None
0.95A 2vctD-4bjtA:
undetectable
2vctD-4bjtA:
22.09
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.
4d7q RALF,
PROLINE/BETAINE
TRANSPORTER


(Legionella
pneumophila;
Rickettsia
prowazekii)
PF01369
(Sec7)
4 ILE A 229
LEU A 236
PHE A 233
PHE A 320
None
0.94A 2vctD-4d7qA:
undetectable
2vctD-4d7qA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4doo CHALCONE-FLAVANONE
ISOMERASE FAMILY
PROTEIN


(Arabidopsis
thaliana)
PF16035
(Chalcone_2)
4 TYR A 181
ILE A 177
ARG A  30
PHE A 134
None
None
DAO  A 301 (-3.8A)
DAO  A 301 (-3.9A)
1.05A 2vctD-4dooA:
undetectable
2vctD-4dooA:
25.91
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.
4ggv CYTOCHROME P450
SUPERFAMILY PROTEIN


(Streptomyces
himastatinicus)
PF00067
(p450)
4 ILE A 273
GLY A 356
LEU A 128
PHE A 364
None
0.97A 2vctD-4ggvA:
undetectable
2vctD-4ggvA:
20.92
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.
4glr ANTI-PTAU HEAVY
CHAIN
ANTI-PTAU LIGHT
CHAIN


(Gallus gallus)
PF07654
(C1-set)
PF07686
(V-set)
4 ILE H 100
GLY H 100
LEU I   4
PHE I  98
None
1.02A 2vctD-4glrH:
undetectable
2vctD-4glrH:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hem BPP

(Lactococcus
phage TP901-1)
PF08931
(Caudo_bapla_RBP)
4 TYR A  88
ILE A  90
GLY A 156
PHE A 132
None
0.97A 2vctD-4hemA:
undetectable
2vctD-4hemA:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hj2 GLUTATHIONE
S-TRANSFERASE A1


(Homo sapiens)
PF00043
(GST_C)
PF02798
(GST_N)
4 TYR A   9
GLY A  14
ARG A  15
LEU A 108
LZ6  A 301 (-4.6A)
LZ6  A 301 ( 3.9A)
None
None
0.42A 2vctD-4hj2A:
35.7
2vctD-4hj2A:
94.93
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.
4ios BPP

(Lactococcus
phage TP901-1)
no annotation 4 TYR A  88
ILE A  90
GLY A 156
PHE A 132
None
1.00A 2vctD-4iosA:
undetectable
2vctD-4iosA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j72 PHOSPHO-N-ACETYLMURA
MOYL-PENTAPEPTIDE-TR
ANSFERASE


(Aquifex
aeolicus)
PF00953
(Glycos_transf_4)
PF10555
(MraY_sig1)
4 ILE A  81
GLY A 267
PHE A 107
PHE A 240
None
0.99A 2vctD-4j72A:
undetectable
2vctD-4j72A:
19.73
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE


(Agrobacterium
vitis)
PF05544
(Pro_racemase)
4 TYR B 279
ILE B 231
GLY B 240
LEU B 186
None
0.98A 2vctD-4k7gB:
undetectable
2vctD-4k7gB:
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.
4lx4 ENDOGLUCANASE(ENDO-1
,4-BETA-GLUCANASE)PR
OTEIN


(Pseudomonas
stutzeri)
PF00150
(Cellulase)
4 TYR A 217
ILE A 255
GLY A 254
LEU A 250
None
0.91A 2vctD-4lx4A:
undetectable
2vctD-4lx4A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4omb PHOSPHATE BINDING
PROTEIN


(Pseudomonas
aeruginosa)
PF12849
(PBP_like_2)
4 TYR A 306
ILE A 230
GLY A 229
PHE A 128
None
0.93A 2vctD-4ombA:
undetectable
2vctD-4ombA:
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.
4opu CONSERVED ARCHAEAL
PROTEIN


(Sulfolobus
acidocaldarius)
PF01266
(DAO)
4 GLY A 401
ARG A 402
LEU A 406
PHE A 407
None
0.90A 2vctD-4opuA:
undetectable
2vctD-4opuA:
18.32
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae)
PF07859
(Abhydrolase_3)
4 ILE A  49
LEU A 136
PHE A 139
PHE A  64
None
0.77A 2vctD-4p9nA:
undetectable
2vctD-4p9nA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pqj PHOSPHATE BINDING
PROTEIN


(Pseudomonas
aeruginosa)
PF12849
(PBP_like_2)
4 TYR A 306
ILE A 230
GLY A 229
PHE A 128
None
0.95A 2vctD-4pqjA:
undetectable
2vctD-4pqjA:
22.67
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE


(Caenorhabditis
elegans)
PF05693
(Glycogen_syn)
4 GLY A  43
ARG A  44
LEU A  75
PHE A  47
None
0.96A 2vctD-4qlbA:
undetectable
2vctD-4qlbA:
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.
4rcw SLIT AND NTRK-LIKE
PROTEIN 1


(Homo sapiens)
PF13855
(LRR_8)
4 ILE A 350
GLY A 354
LEU A 401
PHE A 381
None
0.89A 2vctD-4rcwA:
undetectable
2vctD-4rcwA:
22.80
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.
4reg UNCHARACTERIZED
PROTEIN


(Pyrococcus
furiosus)
PF01905
(DevR)
4 ILE A 226
GLY A 206
LEU A 202
PHE A  67
None
1.00A 2vctD-4regA:
undetectable
2vctD-4regA:
19.60
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.
4ryb 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3


(Neisseria
meningitidis)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 ILE A   6
GLY A   8
LEU A 137
PHE A 117
None
0.82A 2vctD-4rybA:
undetectable
2vctD-4rybA:
22.29
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT


(Desulfovibrio
vulgaris)
PF00374
(NiFeSe_Hases)
4 TYR L 273
ILE L 274
GLY L 431
ARG L 430
None
1.05A 2vctD-4u9iL:
undetectable
2vctD-4u9iL:
16.79
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER


(Drosophila
melanogaster)
PF00209
(SNF)
4 TYR A 124
ILE A 128
GLY A 418
PHE A 390
41U  A 605 ( 3.8A)
None
NA  A 602 ( 4.2A)
None
1.02A 2vctD-4xnuA:
undetectable
2vctD-4xnuA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ze8 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(AGROCINOPINES A AND
B)


(Agrobacterium
fabrum)
PF00496
(SBP_bac_5)
4 ILE A 488
GLY A 329
ARG A 477
PHE A 332
None
0.78A 2vctD-4ze8A:
undetectable
2vctD-4ze8A:
18.79
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.
5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
PF07952
(Toxin_trans)
4 TYR A 367
ILE A 102
GLY A 103
LEU A 110
None
0.97A 2vctD-5bqnA:
1.8
2vctD-5bqnA:
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.
5cx8 LIPOPROTEIN RAGB

(Porphyromonas
gingivalis)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
4 ILE A 106
GLY A 105
LEU A  81
PHE A  84
None
0.74A 2vctD-5cx8A:
2.3
2vctD-5cx8A:
18.71
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2


(Saccharomyces
cerevisiae)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
4 ILE B  95
LEU B 420
PHE B 417
PHE B  54
None
1.02A 2vctD-5ip9B:
undetectable
2vctD-5ip9B:
10.46
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2


(Saccharomyces
cerevisiae)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
4 ILE B 301
GLY B 379
LEU B 289
PHE B 286
None
0.86A 2vctD-5ip9B:
undetectable
2vctD-5ip9B:
10.46
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.
5j1t TORSIN-1A

(Homo sapiens)
PF06309
(Torsin)
4 ILE A 155
LEU A 131
PHE A 132
PHE A 138
None
0.89A 2vctD-5j1tA:
undetectable
2vctD-5j1tA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j4a IMMUNITY PROTEIN
CDII


(Burkholderia
pseudomallei)
no annotation 4 ILE B  54
LEU B  68
PHE B  67
PHE B  31
None
0.90A 2vctD-5j4aB:
undetectable
2vctD-5j4aB:
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.
5j5v IMMUNITY PROTEIN
CDII


(Escherichia
coli)
no annotation 4 ILE C   8
GLY C   9
ARG C   5
PHE C  27
None
0.67A 2vctD-5j5vC:
3.4
2vctD-5j5vC:
22.94
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.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE


(Aspergillus
flavus)
PF00743
(FMO-like)
4 TYR A 436
ILE A 451
GLY A 447
PHE A  96
FAD  A 601 (-4.1A)
None
FAD  A 601 (-3.3A)
None
0.93A 2vctD-5j7xA:
undetectable
2vctD-5j7xA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ktz VP1

(Enterovirus C)
PF00073
(Rhv)
4 TYR 1 159
ILE 1 110
GLY 1 238
PHE 1 130
None
0.86A 2vctD-5ktz1:
undetectable
2vctD-5ktz1:
21.40
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus)
no annotation 4 ILE B 290
GLY B 389
LEU B 276
PHE B 393
None
0.96A 2vctD-5my0B:
undetectable
2vctD-5my0B:
17.05
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B


(Cynara
cardunculus)
no annotation 4 GLY A 316
LEU A 319
PHE A 320
PHE A 362
None
0.92A 2vctD-5nfgA:
undetectable
2vctD-5nfgA:
19.69
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.
5ool 39S RIBOSOMAL
PROTEIN L37,
MITOCHONDRIAL


(Homo sapiens)
PF07147
(PDCD9)
4 TYR 5 176
ILE 5 180
GLY 5 349
LEU 5 381
None
0.94A 2vctD-5ool5:
undetectable
2vctD-5ool5:
18.41
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.
5u2u HEAT SHOCK PROTEIN
104


(Saccharomyces
cerevisiae)
PF02861
(Clp_N)
4 TYR A  60
ILE A  55
GLY A  58
PHE A 121
None
0.98A 2vctD-5u2uA:
undetectable
2vctD-5u2uA:
22.27
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.
5vkv CYTOCHROME C-TYPE
BIOGENESIS PROTEIN
CCDA


(Thermus
thermophilus)
no annotation 4 ILE A 128
GLY A 129
LEU A 136
PHE A  54
None
0.85A 2vctD-5vkvA:
undetectable
2vctD-5vkvA:
17.33
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.
5xaq PROBABLE
D-TYROSYL-TRNA(TYR)
DEACYLASE 2


(Mus musculus)
no annotation 4 ILE A  44
LEU A 125
PHE A 122
PHE A  48
None
1.03A 2vctD-5xaqA:
undetectable
2vctD-5xaqA:
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.
6a8m -

(-)
no annotation 4 GLY A  72
ARG A  20
LEU A  96
PHE A  12
None
0.73A 2vctD-6a8mA:
undetectable
2vctD-6a8mA:
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.
6arr ACETYL-COA
ACETYLTRANSFERASE


(Aspergillus
fumigatus)
no annotation 4 ILE A 352
GLY A 347
LEU A 198
PHE A 199
None
0.97A 2vctD-6arrA:
undetectable
2vctD-6arrA:
17.73
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.
6cc2 CELL DIVISION
CONTROL PROTEIN 45
CDC45 PUTATIVE


(Entamoeba
histolytica)
no annotation 4 ILE A 469
GLY A 484
LEU A 494
PHE A 497
None
0.92A 2vctD-6cc2A:
undetectable
2vctD-6cc2A:
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER


(Enterococcus
casseliflavus)
no annotation 4 TYR A 349
ILE A 366
LEU A 157
PHE A 154
None
0.89A 2vctD-6d0nA:
undetectable
2vctD-6d0nA:
14.98
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.
6eio ANTIFREEZE PROTEIN

(uncultured
bacterium)
no annotation 4 ILE A 134
GLY A 135
LEU A 186
PHE A 212
None
0.89A 2vctD-6eioA:
undetectable
2vctD-6eioA:
15.79
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina)
no annotation 4 ILE A 182
GLY A  84
PHE A 116
PHE A 118
None
0.59A 2vctD-6ekiA:
undetectable
2vctD-6ekiA:
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
no annotation 4 TYR A 119
ILE A 477
GLY A 127
PHE A 313
None
1.01A 2vctD-6eonA:
undetectable
2vctD-6eonA:
14.29