SIMILAR PATTERNS OF AMINO ACIDS FOR 3TJ7_A_ACTA609_0

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.
1axn ANNEXIN III

(Homo sapiens) 		PF00191
(Annexin) 		3 LYS A  74
VAL A  86
HIS A  83
 None
 0.86A 3tj7A-1axnA:
undetectable		 3tj7A-1axnA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		3 LYS A 267
VAL A  78
HIS A  79
 None
 1.12A 3tj7A-1b65A:
0.0		 3tj7A-1b65A:
18.85
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.
1fzy UBIQUITIN-CONJUGATIN
G ENZYME E2-24 KDA

(Saccharomyces
cerevisiae) 		PF00179
(UQ_con) 		3 LYS A  36
VAL A  27
HIS A  34
 None
 0.70A 3tj7A-1fzyA:
0.4		 3tj7A-1fzyA:
24.26
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.
1gns SUBTILISIN BPN'

(Bacillus
amyloliquefaciens) 		PF00082
(Peptidase_S8) 		3 LYS A 222
VAL A  68
HIS A  67
 CSO  A 221 ( 3.2A)
CSO  A 221 ( 4.3A)
None
 0.95A 3tj7A-1gnsA:
0.0		 3tj7A-1gnsA:
18.91
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.
1ksi COPPER AMINE OXIDASE

(Pisum sativum) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 LYS A 296
VAL A 284
HIS A 442
 TPQ  A 387 ( 2.8A)
TPQ  A 387 ( 4.7A)
CU  A 650 ( 3.3A)
 0.90A 3tj7A-1ksiA:
0.0		 3tj7A-1ksiA:
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.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		3 LYS B 430
VAL B 460
HIS B 427
 None
 1.18A 3tj7A-1mabB:
undetectable		 3tj7A-1mabB:
17.68
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.
1o6d HYPOTHETICAL UPF0247
PROTEIN TM0844

(Thermotoga
maritima) 		PF02590
(SPOUT_MTase) 		3 LYS A  38
VAL A  40
HIS A  41
 None
 1.14A 3tj7A-1o6dA:
undetectable		 3tj7A-1o6dA:
20.66
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.
1uw4 REGULATOR OF
NONSENSE TRANSCRIPTS
2

(Homo sapiens) 		PF02854
(MIF4G) 		3 LYS B 806
VAL B 841
HIS B 844
 None
 1.19A 3tj7A-1uw4B:
undetectable		 3tj7A-1uw4B:
21.48
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.
1wr8 PHOSPHOGLYCOLATE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		3 LYS A 148
VAL A 139
HIS A 146
 None
 0.94A 3tj7A-1wr8A:
undetectable		 3tj7A-1wr8A:
20.08
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.
1zt2 DNA PRIMASE LARGE
SUBUNIT

(Sulfolobus
solfataricus) 		PF04104
(DNA_primase_lrg) 		3 LYS B   7
VAL B  58
HIS B  56
 None
 1.23A 3tj7A-1zt2B:
undetectable		 3tj7A-1zt2B:
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.
1zy9 ALPHA-GALACTOSIDASE

(Thermotoga
maritima) 		PF02065
(Melibiase) 		3 LYS A 510
VAL A 512
HIS A 521
 None
 0.46A 3tj7A-1zy9A:
undetectable		 3tj7A-1zy9A:
16.55
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		3 LYS A 592
VAL A 589
HIS A 588
 None
 1.11A 3tj7A-2a3lA:
undetectable		 3tj7A-2a3lA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		3 LYS A  52
VAL A  48
HIS A  29
 None
 0.62A 3tj7A-2aafA:
undetectable		 3tj7A-2aafA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		3 LYS A 299
VAL A 256
HIS A 263
 None
 1.23A 3tj7A-2afbA:
undetectable		 3tj7A-2afbA:
21.47
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.
2awa DNA POLYMERASE III,
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		3 LYS A 176
VAL A 178
HIS A 166
 None
 0.83A 3tj7A-2awaA:
undetectable		 3tj7A-2awaA:
19.85
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.
2dfk COLLYBISTIN II

(Rattus
norvegicus) 		PF00169
(PH)
PF00621
(RhoGEF) 		3 LYS A 340
VAL A 349
HIS A 342
 None
 1.03A 3tj7A-2dfkA:
undetectable		 3tj7A-2dfkA:
20.55
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.
2dit HIV TAT SPECIFIC
FACTOR 1 VARIANT

(Homo sapiens) 		PF00076
(RRM_1) 		3 LYS A  21
VAL A  66
HIS A  62
 None
 0.94A 3tj7A-2ditA:
undetectable		 3tj7A-2ditA:
14.36
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.
2eob 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
GAMMA 2

(Rattus
norvegicus) 		PF00017
(SH2) 		3 LYS A  19
VAL A  89
HIS A  16
 None
 1.18A 3tj7A-2eobA:
undetectable		 3tj7A-2eobA:
18.23
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.
2fiq PUTATIVE TAGATOSE
6-PHOSPHATE KINASE 1

(Escherichia
coli) 		PF08013
(Tagatose_6_P_K) 		3 LYS A 120
VAL A 167
HIS A 122
 None
 1.22A 3tj7A-2fiqA:
undetectable		 3tj7A-2fiqA:
18.10
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.
2gdq YITF

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 LYS A  64
VAL A  60
HIS A  59
 None
 1.05A 3tj7A-2gdqA:
undetectable		 3tj7A-2gdqA:
18.68
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.
2hpv FMN-DEPENDENT
NADH-AZOREDUCTASE

(Enterococcus
faecalis) 		PF02525
(Flavodoxin_2) 		3 LYS A   8
VAL A  20
HIS A  10
 None
None
FMN  A1200 (-3.9A)
 1.00A 3tj7A-2hpvA:
undetectable		 3tj7A-2hpvA:
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.
2jky HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		3 LYS A 159
VAL A 112
HIS A 157
 5GP  A 300 (-2.9A)
5GP  A 300 (-4.9A)
None
 0.95A 3tj7A-2jkyA:
undetectable		 3tj7A-2jkyA:
20.36
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.
2juh TELOMERE BINDING
PROTEIN TBP1

(Nicotiana
glutinosa) 		PF00249
(Myb_DNA-binding) 		3 LYS A 663
VAL A 666
HIS A 665
 None
 1.20A 3tj7A-2juhA:
undetectable		 3tj7A-2juhA:
19.90
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.
2kyw ADHESION EXOPROTEIN

(Pediococcus
pentosaceus) 		no annotation 3 LYS A  77
VAL A  46
HIS A  75
 None
 0.93A 3tj7A-2kywA:
undetectable		 3tj7A-2kywA:
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.
2llg UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF16729
(DUF5067) 		3 LYS A  74
VAL A  71
HIS A  72
 None
 0.93A 3tj7A-2llgA:
undetectable		 3tj7A-2llgA:
21.11
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.
2pjd RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE C

(Escherichia
coli) 		PF05175
(MTS)
PF08468
(MTS_N) 		3 LYS A 330
VAL A 322
HIS A 320
 None
 1.12A 3tj7A-2pjdA:
undetectable		 3tj7A-2pjdA:
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.
2vnl BIFUNCTIONAL TAIL
PROTEIN, PIIGCN4

(Saccharomyces
cerevisiae;
Salmonella
virus P22) 		PF09008
(Head_binding) 		3 LYS A  81
VAL A  83
HIS A  58
 None
 1.12A 3tj7A-2vnlA:
undetectable		 3tj7A-2vnlA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w40 GLYCEROL KINASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 LYS A 432
VAL A 408
HIS A 407
 None
 1.14A 3tj7A-2w40A:
undetectable		 3tj7A-2w40A:
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.
2wno TUMOR NECROSIS
FACTOR-INDUCIBLE
GENE 6 PROTEIN

(Homo sapiens) 		PF00431
(CUB) 		3 LYS A 243
VAL A 245
HIS A 174
 None
 0.33A 3tj7A-2wnoA:
undetectable		 3tj7A-2wnoA:
23.81
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		3 LYS A 580
VAL A 587
HIS A 461
 None
 1.20A 3tj7A-2yocA:
undetectable		 3tj7A-2yocA:
10.84
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.
2z2x TK-SUBTILISIN

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		3 LYS A 325
VAL A 157
HIS A 156
 MIS  A 324 ( 3.2A)
MIS  A 324 ( 4.5A)
None
 0.97A 3tj7A-2z2xA:
undetectable		 3tj7A-2z2xA:
18.44
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.
3al0 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT
C,LINKER,GLUTAMATE--
TRNA LIGASE 2

(Thermotoga
maritima;
Thermotoga
maritima;
synthetic
construct) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF00749
(tRNA-synt_1c)
PF02686
(Glu-tRNAGln) 		3 LYS B 130
VAL B 132
HIS C  88
 None
 1.12A 3tj7A-3al0B:
undetectable		 3tj7A-3al0B:
18.57
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.
3c0b CONSERVED ARCHAEAL
PROTEIN Q6M145

(Methanococcus
maripaludis) 		PF01968
(Hydantoinase_A) 		3 LYS A 273
VAL A 270
HIS A 162
 None
 1.08A 3tj7A-3c0bA:
undetectable		 3tj7A-3c0bA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cgl GFP-LIKE FLUORESCENT
CHROMOPROTEIN
DSFP483

(Discosoma
striata) 		PF01353
(GFP) 		3 LYS A 199
VAL A 201
HIS A 215
 None
 0.47A 3tj7A-3cglA:
undetectable		 3tj7A-3cglA:
22.78
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.
3ddc RAS ASSOCIATION
DOMAIN-CONTAINING
FAMILY PROTEIN 5

(Mus musculus) 		PF00788
(RA) 		3 LYS B 355
VAL B 353
HIS B 238
 None
 1.21A 3tj7A-3ddcB:
undetectable		 3tj7A-3ddcB:
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		3 LYS A 254
VAL A 194
HIS A 195
 None
 1.21A 3tj7A-3gh8A:
undetectable		 3tj7A-3gh8A:
20.66
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.
3hn8 SYNAPTOTAGMIN-3

(Rattus
norvegicus) 		PF00168
(C2) 		3 LYS A 379
VAL A 400
HIS A 381
 None
 1.12A 3tj7A-3hn8A:
undetectable		 3tj7A-3hn8A:
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.
3iir TRYPSIN INHIBITOR

(Murraya
koenigii) 		PF00197
(Kunitz_legume) 		3 LYS A 124
VAL A 138
HIS A 139
 None
 1.09A 3tj7A-3iirA:
undetectable		 3tj7A-3iirA:
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.
3j0l RIBOSOMAL PROTEIN
S14

(Oryctolagus
cuniculus) 		PF00411
(Ribosomal_S11) 		3 LYS K  96
VAL K  30
HIS K  94
 None
 1.18A 3tj7A-3j0lK:
undetectable		 3tj7A-3j0lK:
19.32
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.
3j7a 40S RIBOSOMAL
PROTEIN US11

(Plasmodium
falciparum) 		PF00411
(Ribosomal_S11) 		3 LYS P  96
VAL P  30
HIS P  94
 None
 0.89A 3tj7A-3j7aP:
undetectable		 3tj7A-3j7aP:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lke ENOYL-COA HYDRATASE

(Bacillus
halodurans) 		PF00378
(ECH_1) 		3 LYS A 102
VAL A 209
HIS A  50
 None
 1.03A 3tj7A-3lkeA:
undetectable		 3tj7A-3lkeA:
22.58
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.
3n9t PNPC

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		3 LYS A 230
VAL A 232
HIS A  93
 None
 1.14A 3tj7A-3n9tA:
undetectable		 3tj7A-3n9tA:
19.24
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.
3odx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		3 LYS A 749
VAL A 745
HIS A 722
 None
 1.23A 3tj7A-3odxA:
undetectable		 3tj7A-3odxA:
18.84
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.
3ois CYSTEINE PROTEASE

(Xylella
fastidiosa) 		PF00112
(Peptidase_C1) 		3 LYS A 113
VAL A 118
HIS A 117
 None
 1.16A 3tj7A-3oisA:
undetectable		 3tj7A-3oisA:
20.36
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.
3pei CYTOSOL
AMINOPEPTIDASE

(Francisella
tularensis) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		3 LYS A  59
VAL A  61
HIS A  56
 None
 1.18A 3tj7A-3peiA:
undetectable		 3tj7A-3peiA:
17.27
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.
3pz8 SEGMENT POLARITY
PROTEIN DISHEVELLED
HOMOLOG DVL-1

(Mus musculus) 		PF00778
(DIX) 		3 LYS A  50
VAL A  78
HIS A   9
 None
 1.19A 3tj7A-3pz8A:
undetectable		 3tj7A-3pz8A:
20.00
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.
3q0x CENTRIOLE PROTEIN

(Chlamydomonas
reinhardtii) 		PF16531
(SAS-6_N) 		3 LYS A  34
VAL A 127
HIS A  32
 None
 0.84A 3tj7A-3q0xA:
undetectable		 3tj7A-3q0xA:
19.49
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.
3rpb RABPHILIN 3-A

(Rattus
norvegicus) 		PF00168
(C2) 		3 LYS A 543
VAL A 565
HIS A 566
 None
 1.21A 3tj7A-3rpbA:
undetectable		 3tj7A-3rpbA:
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.
3tad LIPRIN-ALPHA-2

(Homo sapiens) 		PF00536
(SAM_1)
PF07647
(SAM_2) 		3 LYS A1057
VAL A1061
HIS A1062
 None
 1.03A 3tj7A-3tadA:
undetectable		 3tj7A-3tadA:
17.99
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.
3tfm MYOSIN X

(Rattus
norvegicus) 		PF00169
(PH) 		3 LYS A   9
VAL A  31
HIS A  12
 None
 0.97A 3tj7A-3tfmA:
undetectable		 3tj7A-3tfmA:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tj7 GBAA_1210 PROTEIN

(Bacillus
anthracis) 		PF01928
(CYTH) 		3 LYS A  32
VAL A  34
HIS A  56
 ACT  A 609 (-3.4A)
SO4  A 603 ( 4.0A)
SO4  A 603 (-3.5A)
 0.03A 3tj7A-3tj7A:
32.3		 3tj7A-3tj7A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		3 LYS A 168
VAL A 165
HIS A 164
 None
 1.23A 3tj7A-3u5tA:
undetectable		 3tj7A-3u5tA:
21.89
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.
4crm EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF03464
(eRF1_2)
PF03465
(eRF1_3) 		3 LYS X 201
VAL X 205
HIS X 167
 None
 0.98A 3tj7A-4crmX:
undetectable		 3tj7A-4crmX:
21.88
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.
4ddp BECLIN-1

(Homo sapiens) 		PF04111
(APG6) 		3 LYS A 416
VAL A 370
HIS A 367
 None
 0.61A 3tj7A-4ddpA:
undetectable		 3tj7A-4ddpA:
21.85
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.
4f40 PROSTAGLANDIN
F2-ALPHA
SYNTHASE/D-ARABINOSE
DEHYDROGENASE

(Leishmania
major) 		PF00248
(Aldo_ket_red) 		3 LYS A 240
VAL A 242
HIS A 243
 None
 1.19A 3tj7A-4f40A:
undetectable		 3tj7A-4f40A:
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.
4h5u PROBABLE HYDROLASE
NIT2

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		3 LYS A 127
VAL A 147
HIS A  93
 CAF  A 169 ( 2.7A)
None
None
 1.18A 3tj7A-4h5uA:
undetectable		 3tj7A-4h5uA:
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.
4h6y FERM, RHOGEF AND
PLECKSTRIN
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		3 LYS A 999
VAL A1006
HIS A1001
 None
 1.12A 3tj7A-4h6yA:
undetectable		 3tj7A-4h6yA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ic5 PROTEASE DO-LIKE 5,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13365
(Trypsin_2) 		3 LYS A 179
VAL A 181
HIS A 141
 None
 1.18A 3tj7A-4ic5A:
undetectable		 3tj7A-4ic5A:
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.
4jw1 EFFECTOR PROTEIN B

(Legionella
pneumophila) 		no annotation 3 LYS A 168
VAL A 153
HIS A 154
 None
 1.16A 3tj7A-4jw1A:
undetectable		 3tj7A-4jw1A:
17.21
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.
4kbx UNCHARACTERIZED
PROTEIN YHFX

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		3 LYS A   1
VAL A   3
HIS A 306
 ACE  A   0 ( 3.0A)
ACE  A   0 ( 3.9A)
ACE  A   0 ( 4.0A)
 1.23A 3tj7A-4kbxA:
undetectable		 3tj7A-4kbxA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		3 LYS A  17
VAL A  15
HIS A  14
 None
 1.21A 3tj7A-4kriA:
undetectable		 3tj7A-4kriA:
19.31
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.
4kwm HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		3 LYS A 255
VAL A 257
HIS A 110
 None
 0.95A 3tj7A-4kwmA:
undetectable		 3tj7A-4kwmA:
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.
4m9c BACTERIAL
TRANSFERASE
HEXAPEPTIDE (THREE
REPEATS) FAMILY
PROTEIN

(Acinetobacter
baumannii) 		PF00132
(Hexapep) 		3 LYS A  78
VAL A  74
HIS A 163
 None
 1.10A 3tj7A-4m9cA:
undetectable		 3tj7A-4m9cA:
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.
4mt6 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 9

(Rattus
norvegicus) 		PF00018
(SH3_1)
PF00169
(PH)
PF00621
(RhoGEF) 		3 LYS A 400
VAL A 409
HIS A 402
 None
 1.01A 3tj7A-4mt6A:
undetectable		 3tj7A-4mt6A:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6w PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		3 LYS A 108
VAL A 105
HIS A 104
 FLC  A 203 (-2.8A)
None
FE  A 201 ( 3.4A)
 1.14A 3tj7A-4n6wA:
undetectable		 3tj7A-4n6wA:
23.79
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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		3 LYS A 382
VAL A 385
HIS A 379
 EDO  A 503 ( 4.3A)
None
None
 1.21A 3tj7A-4pzvA:
undetectable		 3tj7A-4pzvA:
20.80
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.
4rmm PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chromobacterium
violaceum) 		PF03061
(4HBT) 		3 LYS A 114
VAL A 119
HIS A 141
 None
 0.89A 3tj7A-4rmmA:
undetectable		 3tj7A-4rmmA:
22.06
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.
4ttw CENTRIOLE PROTEIN

(Chlamydomonas
reinhardtii) 		PF16531
(SAS-6_N) 		3 LYS A  34
VAL A 127
HIS A  32
 None
 1.11A 3tj7A-4ttwA:
undetectable		 3tj7A-4ttwA:
18.36
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.
4wab PROSTAGLANDIN E
SYNTHASE,LEUKOTRIENE
C4 SYNTHASE

(Homo sapiens) 		PF01124
(MAPEG) 		3 LYS A  26
VAL A  30
HIS A  72
 None
 1.17A 3tj7A-4wabA:
undetectable		 3tj7A-4wabA:
21.84
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.
4yl0 PROSTAGLANDIN E
SYNTHASE

(Homo sapiens) 		PF01124
(MAPEG) 		3 LYS A  26
VAL A  30
HIS A  72
 None
 1.20A 3tj7A-4yl0A:
undetectable		 3tj7A-4yl0A:
22.11
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.
4yzy EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3

(Mus musculus) 		no annotation 3 LYS A 243
VAL A 261
HIS A 263
 None
 1.14A 3tj7A-4yzyA:
undetectable		 3tj7A-4yzyA:
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.
4zv3 CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Mus musculus) 		PF03061
(4HBT) 		3 LYS A  82
VAL A 253
HIS A 250
 None
 0.64A 3tj7A-4zv3A:
undetectable		 3tj7A-4zv3A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5btb AFR263CP

(Eremothecium
gossypii) 		PF08652
(RAI1) 		3 LYS A 282
VAL A 280
HIS A  56
 None
 1.06A 3tj7A-5btbA:
undetectable		 3tj7A-5btbA:
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.
5c4v SKI-LIKE PROTEIN

(Homo sapiens) 		PF08782
(c-SKI_SMAD_bind) 		3 LYS B 345
VAL B 331
HIS B 330
 None
 1.14A 3tj7A-5c4vB:
undetectable		 3tj7A-5c4vB:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f8y GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 3 LYS A 110
VAL A 123
HIS A 125
 None
None
X6X  A 202 (-3.7A)
 1.23A 3tj7A-5f8yA:
undetectable		 3tj7A-5f8yA:
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.
5f9k DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE

(Dictyostelium
discoideum) 		PF00692
(dUTPase) 		3 LYS A  13
VAL A 104
HIS A  33
 None
 0.97A 3tj7A-5f9kA:
undetectable		 3tj7A-5f9kA:
18.91
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.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		3 LYS A  41
VAL A  43
HIS A  75
 PO4  A 501 (-2.7A)
None
PO4  A 501 (-4.5A)
 1.02A 3tj7A-5h9dA:
undetectable		 3tj7A-5h9dA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp) 		3 LYS A 974
VAL A1364
HIS A1366
 None
 0.98A 3tj7A-5hccA:
undetectable		 3tj7A-5hccA:
11.57
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.
5hly INHIBIN BETA A CHAIN

(Homo sapiens) 		PF00019
(TGF_beta)
PF00688
(TGFb_propeptide) 		3 LYS A 160
VAL A 255
HIS A 289
 None
 1.13A 3tj7A-5hlyA:
undetectable		 3tj7A-5hlyA:
19.24
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.
5hlz INHIBIN BETA A CHAIN

(Homo sapiens) 		PF00688
(TGFb_propeptide) 		3 LYS A 160
VAL A 255
HIS A 289
 None
 1.17A 3tj7A-5hlzA:
undetectable		 3tj7A-5hlzA:
23.60
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.
5hrm HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 3 LYS A 428
VAL A 430
HIS A 401
 None
 1.12A 3tj7A-5hrmA:
undetectable		 3tj7A-5hrmA:
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.
5iay E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Homo sapiens) 		PF12148
(TTD) 		3 LYS A 187
VAL A 157
HIS A 185
 None
 0.94A 3tj7A-5iayA:
undetectable		 3tj7A-5iayA:
21.32
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.
5iaz BETA-GALACTOSIDASE 1

(Oryza sativa) 		PF02140
(Gal_Lectin) 		3 LYS A 759
VAL A 813
HIS A 761
 None
 0.93A 3tj7A-5iazA:
undetectable		 3tj7A-5iazA:
18.37
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.
5id6 CPF1

(Lachnospiraceae
bacterium
ND2006) 		no annotation 3 LYS A 785
VAL A 757
HIS A 759
 A  G   3 ( 2.9A)
None
A  G   3 ( 4.0A)
 1.17A 3tj7A-5id6A:
undetectable		 3tj7A-5id6A:
9.51
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 3 LYS A 428
VAL A 430
HIS A 401
 None
 1.12A 3tj7A-5iojA:
undetectable		 3tj7A-5iojA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfj MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1

(Homo sapiens) 		no annotation 3 LYS A 284
VAL A 279
HIS A 278
 None
 1.22A 3tj7A-5nfjA:
undetectable		 3tj7A-5nfjA:
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.
5o60 50S RIBOSOMAL
PROTEIN L23

(Mycolicibacterium
smegmatis) 		PF00276
(Ribosomal_L23) 		3 LYS U  80
VAL U  33
HIS U  34
 C  A1818 ( 3.1A)
None
A  A  68 ( 4.4A)
 1.19A 3tj7A-5o60U:
undetectable		 3tj7A-5o60U:
18.46
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.
5opt 40S RIBOSOMAL
PROTEIN S23,
PUTATIVE

(Trypanosoma
cruzi) 		no annotation 3 LYS M 121
VAL M 123
HIS M  46
 U  E 652 ( 3.3A)
None
A  E 653 ( 4.4A)
 1.04A 3tj7A-5optM:
undetectable		 3tj7A-5optM:
21.11
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.
5ufy ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 3 LYS A 482
VAL A 602
HIS A 512
 None
 1.19A 3tj7A-5ufyA:
undetectable		 3tj7A-5ufyA:
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.
5ug1 ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 3 LYS A 482
VAL A 602
HIS A 512
 None
 1.14A 3tj7A-5ug1A:
undetectable		 3tj7A-5ug1A:
20.00
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.
5v44 SACSIN

(Homo sapiens) 		no annotation 3 LYS A 101
VAL A  97
HIS A 218
 None
 0.92A 3tj7A-5v44A:
undetectable		 3tj7A-5v44A:
18.36
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.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 3 LYS A 110
VAL A 123
HIS A 125
 None
None
GOL  A 202 (-3.8A)
 1.18A 3tj7A-5vbkA:
undetectable		 3tj7A-5vbkA:
23.76
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.
5wix P-47 PROTEIN

(Clostridium
botulinum) 		no annotation 3 LYS A 104
VAL A 161
HIS A 102
 None
 0.80A 3tj7A-5wixA:
undetectable		 3tj7A-5wixA:
18.96
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.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 3 LYS A 330
VAL A 324
HIS A 321
 None
 1.09A 3tj7A-5wvbA:
undetectable		 3tj7A-5wvbA:
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.
5wwo ESSENTIAL NUCLEAR
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF05291
(Bystin) 		3 LYS A 419
VAL A 415
HIS A 449
 None
 1.10A 3tj7A-5wwoA:
undetectable		 3tj7A-5wwoA:
20.95
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.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		3 LYS A  66
VAL A  79
HIS A  81
 A2G  A 202 (-4.7A)
None
A2G  A 202 (-3.9A)
 1.21A 3tj7A-5xg5A:
undetectable		 3tj7A-5xg5A:
19.70
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.
5xxu RIBOSOMAL PROTEIN
US11

(Toxoplasma
gondii) 		PF00411
(Ribosomal_S11) 		3 LYS O 101
VAL O  35
HIS O  99
 None
 0.75A 3tj7A-5xxuO:
undetectable		 3tj7A-5xxuO:
19.07
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.
5xyi RIBOSOMAL PROTEIN
S14

(Trichomonas
vaginalis) 		PF00411
(Ribosomal_S11) 		3 LYS O 104
VAL O  38
HIS O 102
 None
 1.09A 3tj7A-5xyiO:
undetectable		 3tj7A-5xyiO:
18.09
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.
5yak -

(-) 		no annotation 3 LYS A 258
VAL A 198
HIS A 199
 None
 1.22A 3tj7A-5yakA:
undetectable		 3tj7A-5yakA:
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.
6gnf -

(-) 		no annotation 3 LYS A  92
VAL A  88
HIS A  87
 None
 1.17A 3tj7A-6gnfA:
undetectable		 3tj7A-6gnfA:
undetectable