SIMILAR PATTERNS OF AMINO ACIDS FOR 4KR3_A_GLYA701_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ati GLYCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 ARG A 220
GLU A 239
ARG A 311
SER A 361
 None
 1.03A 4kr3A-1atiA:
35.3		 4kr3A-1atiA:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ati GLYCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A 188
GLU A 239
ARG A 311
GLU A 359
SER A 361
 None
 0.82A 4kr3A-1atiA:
35.3		 4kr3A-1atiA:
32.05
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.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)

(Homo sapiens) 		PF00168
(C2)
PF01735
(PLA2_B) 		4 GLU A 348
GLU A 353
ARG A 566
GLU A 154
 None
 1.45A 4kr3A-1cjyA:
1.9		 4kr3A-1cjyA:
22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		6 GLU A 188
ARG A 220
GLU A 239
ARG A 311
GLU A 359
SER A 361
 GAP  A1550 ( 2.6A)
GAP  A1550 ( 2.4A)
GAP  A1550 ( 2.2A)
GAP  A1550 (-3.8A)
GAP  A1550 ( 2.7A)
GAP  A1550 ( 2.4A)
 0.65A 4kr3A-1ggmA:
35.5		 4kr3A-1ggmA:
30.54
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.
1ihm CAPSID PROTEIN

(Norwalk virus) 		PF00915
(Calici_coat)
PF08435
(Calici_coat_C) 		4 GLU A1472
ARG A1205
GLU A1067
SER A1505
 None
 1.16A 4kr3A-1ihmA:
undetectable		 4kr3A-1ihmA:
21.22
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.
1iu4 MICROBIAL
TRANSGLUTAMINASE

(Streptomyces
mobaraensis) 		PF09017
(Transglut_prok) 		4 ARG A 242
GLU A 107
ARG A 100
GLU A 103
 None
 1.43A 4kr3A-1iu4A:
undetectable		 4kr3A-1iu4A:
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.
1lqa TAS PROTEIN

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		4 GLU A  51
ARG A 120
GLU A  66
SER A  86
 None
 0.96A 4kr3A-1lqaA:
undetectable		 4kr3A-1lqaA:
19.47
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.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE
LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus;
Bos taurus) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C) 		4 GLU D 751
ARG D 857
GLU A 203
SER D 747
 None
 1.41A 4kr3A-1o7dD:
undetectable		 4kr3A-1o7dD:
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.
1s3d ARSENATE REDUCTASE

(Escherichia
coli) 		PF03960
(ArsC) 		4 GLU A 130
ARG A 139
GLU A 110
SER A 109
 SO4  A 203 ( 4.7A)
None
None
SO4  A 203 (-3.0A)
 1.42A 4kr3A-1s3dA:
undetectable		 4kr3A-1s3dA:
12.39
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.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 167
GLU A 168
ARG A 371
GLU A 375
 None
 1.39A 4kr3A-1s9iA:
undetectable		 4kr3A-1s9iA:
20.18
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 GLU B 264
GLU B 283
ARG B  49
GLU B 287
 None
 1.27A 4kr3A-1t3qB:
undetectable		 4kr3A-1t3qB:
21.38
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.
1vz0 CHROMOSOME-PARTITION
ING PROTEIN SPO0J

(Thermus
thermophilus) 		PF02195
(ParBc) 		4 ARG A  39
GLU A 122
GLU A 169
SER A 119
 None
 1.20A 4kr3A-1vz0A:
undetectable		 4kr3A-1vz0A:
18.34
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		4 ARG A  87
ARG A 276
GLU A 260
SER A 206
 CIT  A1649 (-3.0A)
CIT  A1649 ( 2.7A)
GOL  A1651 (-3.6A)
None
 1.25A 4kr3A-1w8oA:
undetectable		 4kr3A-1w8oA:
22.44
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.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ARG A 143
GLU A 363
ARG A 279
GLU A 368
 None
 1.39A 4kr3A-1xrcA:
undetectable		 4kr3A-1xrcA:
19.44
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.
1yt5 INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Thermotoga
maritima) 		PF01513
(NAD_kinase) 		4 GLU A 204
GLU A 135
GLU A 137
SER A 143
 None
 1.41A 4kr3A-1yt5A:
4.1		 4kr3A-1yt5A:
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.
2f2a ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Staphylococcus
aureus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 GLU B 150
ARG B 120
GLU B 124
SER B  93
 MG  B 601 (-3.1A)
None
MG  B 601 (-2.5A)
None
 1.11A 4kr3A-2f2aB:
2.1		 4kr3A-2f2aB:
22.64
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.
2gfg BH2851

(Bacillus
halodurans) 		PF01928
(CYTH) 		4 GLU A 153
ARG A 125
GLU A   8
GLU A   6
 UNL  A 500 ( 4.9A)
UNL  A 500 (-3.6A)
EDO  A 503 ( 3.9A)
UNL  A 500 ( 3.9A)
 1.35A 4kr3A-2gfgA:
undetectable		 4kr3A-2gfgA:
15.47
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.
2pns ERVATAMIN-C, A
PAPAIN-LIKE PLANT
CYSTEINE PROTEASE

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		4 GLU A  35
ARG A 172
GLU A  50
GLU A  84
 None
 1.29A 4kr3A-2pnsA:
undetectable		 4kr3A-2pnsA:
15.06
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.
2ri8 MANNOSYL-OLIGOSACCHA
RIDE
ALPHA-1,2-MANNOSIDAS
E

(Penicillium
citrinum) 		PF01532
(Glyco_hydro_47) 		4 GLU A1466
GLU A1064
ARG A1126
SER A1075
 GOL  A1903 (-2.9A)
None
GOL  A1901 ( 4.0A)
None
 1.37A 4kr3A-2ri8A:
undetectable		 4kr3A-2ri8A:
20.67
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLU A 296
ARG A 338
GLU A 211
GLU A 276
 None
None
None
MG  A1449 ( 2.7A)
 1.47A 4kr3A-2vqdA:
3.5		 4kr3A-2vqdA:
22.88
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.
2wv0 HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR YVOA

(Bacillus
subtilis) 		PF00392
(GntR)
PF07702
(UTRA) 		4 GLU A 222
ARG A 135
GLU A 145
SER A 147
 None
SO4  A1244 (-3.3A)
SO4  A1244 ( 4.4A)
None
 0.97A 4kr3A-2wv0A:
undetectable		 4kr3A-2wv0A:
15.98
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.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 GLU A 421
GLU A 424
ARG A 522
GLU A 471
 None
None
NSS  A1550 (-4.1A)
MG  A1551 ( 2.6A)
 1.34A 4kr3A-2xgtA:
11.4		 4kr3A-2xgtA:
22.31
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 GLU A 389
GLU A 392
ARG A 171
GLU A 173
 None
 1.31A 4kr3A-2xvgA:
undetectable		 4kr3A-2xvgA:
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.
2yvp MUTT/NUDIX FAMILY
PROTEIN

(Thermus
thermophilus) 		PF00293
(NUDIX) 		4 GLU A 139
ARG A  62
GLU A  94
GLU A  90
 MG  A 183 (-2.5A)
RBY  A 186 (-3.2A)
MG  A 184 (-2.5A)
MG  A 183 (-2.6A)
 1.45A 4kr3A-2yvpA:
undetectable		 4kr3A-2yvpA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3at7 ALGINATE-BINDING
FLAGELLIN

(Sphingomonas
sp. A1) 		PF09375
(Peptidase_M75) 		4 GLU A  82
GLU A  79
ARG A  98
GLU A 178
 None
 1.16A 4kr3A-3at7A:
undetectable		 4kr3A-3at7A:
19.08
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.
3bcn ERVATAMIN-A

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		4 GLU A  35
ARG A 172
GLU A  50
GLU A  84
 None
 1.23A 4kr3A-3bcnA:
undetectable		 4kr3A-3bcnA:
15.27
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		4 GLU A 173
ARG A 192
GLU A 171
SER A 146
 FMC  A 229 (-2.5A)
FMC  A 229 (-3.7A)
FMC  A 229 (-4.7A)
None
 1.19A 4kr3A-3bl6A:
undetectable		 4kr3A-3bl6A:
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.
3cng NUDIX HYDROLASE

(Nitrosomonas
europaea) 		PF00293
(NUDIX)
PF14803
(Nudix_N_2) 		4 GLU A 129
ARG A  56
GLU A  89
GLU A  85
 NA  A 512 ( 4.2A)
None
None
NA  A 512 (-2.5A)
 1.42A 4kr3A-3cngA:
undetectable		 4kr3A-3cngA:
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.
3da1 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Bacillus
halodurans) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 GLU A 482
ARG A 171
GLU A 175
SER A 406
 None
 0.96A 4kr3A-3da1A:
undetectable		 4kr3A-3da1A:
23.36
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.
3dup MUTT/NUDIX FAMILY
PROTEIN

(Rhodospirillum
rubrum) 		PF15916
(DUF4743) 		4 GLU A 225
ARG A 138
GLU A 174
GLU A 170
 None
PO4  A 299 (-2.9A)
None
None
 1.49A 4kr3A-3dupA:
undetectable		 4kr3A-3dupA:
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		4 GLU A 178
ARG A 197
GLU A 176
SER A 151
 MTM  A 234 (-2.6A)
MTM  A 234 (-3.6A)
MTM  A 234 (-4.6A)
None
 1.17A 4kr3A-3eeiA:
undetectable		 4kr3A-3eeiA:
17.78
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.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		4 ARG A 848
GLU A 825
GLU A 827
SER A 656
 None
 1.07A 4kr3A-3egiA:
undetectable		 4kr3A-3egiA:
16.69
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.
3fe5 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Bos taurus) 		PF06052
(3-HAO) 		4 ARG A  43
GLU A  53
ARG A 108
GLU A  49
 None
FE  A   1 (-1.9A)
CSO  A 134 ( 4.3A)
None
 1.30A 4kr3A-3fe5A:
undetectable		 4kr3A-3fe5A:
18.67
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 GLU A 295
ARG A 293
GLU A 526
SER A 441
 None
 1.17A 4kr3A-3fjoA:
3.9		 4kr3A-3fjoA:
19.66
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.
3grn MUTT RELATED PROTEIN

(Methanosarcina
mazei) 		PF00293
(NUDIX) 		4 GLU A 104
ARG A  27
GLU A  62
GLU A  58
 GOL  A 154 ( 3.3A)
GOL  A 154 ( 4.7A)
GOL  A 154 ( 4.9A)
GOL  A 154 (-3.0A)
 1.40A 4kr3A-3grnA:
undetectable		 4kr3A-3grnA:
13.24
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.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ARG A 147
GLU A 367
ARG A 283
GLU A 374
 None
 1.11A 4kr3A-3imlA:
undetectable		 4kr3A-3imlA:
20.81
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.
3j7y BL21
ML43

(Homo sapiens;
Homo sapiens) 		PF00829
(Ribosomal_L21p)
no annotation 		4 ARG S 194
GLU S 162
ARG b   9
SER b 108
 None
 1.32A 4kr3A-3j7yS:
undetectable		 4kr3A-3j7yS:
15.77
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.
3jty BENF-LIKE PORIN

(Pseudomonas
protegens) 		PF03573
(OprD) 		4 ARG A 154
ARG A 352
GLU A 373
SER A 395
 None
 1.45A 4kr3A-3jtyA:
undetectable		 4kr3A-3jtyA:
22.48
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.
3kfu ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermus
thermophilus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 ARG F 353
GLU F 182
GLU F 181
SER F 179
 None
None
U  L   1 ( 3.2A)
None
 1.36A 4kr3A-3kfuF:
1.8		 4kr3A-3kfuF:
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.
3kfu ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermus
thermophilus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 GLU F 146
ARG F 116
GLU F 120
SER F  93
 MG  F 674 (-3.1A)
None
MG  F 674 (-2.0A)
None
 1.21A 4kr3A-3kfuF:
1.8		 4kr3A-3kfuF:
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.
3m7p FN1 PROTEIN

(Homo sapiens) 		PF00039
(fn1)
PF00040
(fn2) 		4 GLU A 377
GLU A 537
ARG A 592
GLU A 596
 ZN  A 955 ( 4.3A)
ZN  A 955 (-2.6A)
None
ZN  A 955 ( 3.9A)
 1.36A 4kr3A-3m7pA:
undetectable		 4kr3A-3m7pA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLU A 357
ARG A 399
GLU A 271
GLU A 336
 None
 1.36A 4kr3A-3n6rA:
3.2		 4kr3A-3n6rA:
24.11
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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		4 GLU A 174
ARG A 193
GLU A 172
SER A 147
 4CT  A 233 (-3.0A)
4CT  A 233 ( 4.7A)
None
None
 1.20A 4kr3A-3o4vA:
undetectable		 4kr3A-3o4vA:
16.30
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.
3qnk PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLU A 466
GLU A 309
ARG A 342
GLU A 340
 None
 1.25A 4kr3A-3qnkA:
undetectable		 4kr3A-3qnkA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s83 GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		4 GLU A 503
GLU A 323
GLU A 416
SER A 382
 K  A 549 ( 4.7A)
K  A 549 (-3.4A)
K  A 549 (-3.8A)
None
 1.37A 4kr3A-3s83A:
undetectable		 4kr3A-3s83A:
17.28
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.
3ssz MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Rhodobacteraceae
bacterium KLH11) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 315
GLU A 263
ARG A 202
GLU A 237
 SO4  A 414 (-3.7A)
None
None
None
 0.88A 4kr3A-3sszA:
undetectable		 4kr3A-3sszA:
20.40
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.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		4 GLU A 223
GLU A 142
GLU A 172
SER A 139
 None
 1.39A 4kr3A-3tijA:
undetectable		 4kr3A-3tijA:
21.57
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.
3tjz COATOMER SUBUNIT
GAMMA

(Bos taurus) 		PF01602
(Adaptin_N) 		4 ARG B 309
ARG B 234
GLU B 269
SER B 272
 None
 1.14A 4kr3A-3tjzB:
undetectable		 4kr3A-3tjzB:
20.57
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.
3wa8 CRISPR-ASSOCIATED
PROTEIN, CSE2 FAMILY

(Meiothermus
ruber) 		PF09485
(CRISPR_Cse2) 		4 ARG A  13
ARG A 104
GLU A 161
SER A 160
 None
None
None
HG  A 302 ( 4.2A)
 1.29A 4kr3A-3wa8A:
undetectable		 4kr3A-3wa8A:
15.36
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.
4amf PHOX

(Pseudomonas
fluorescens) 		PF05787
(DUF839) 		4 GLU A 194
GLU A 273
ARG A 385
GLU A 387
 FEO  A1595 ( 2.5A)
FEO  A1595 ( 2.4A)
ACP  A1589 (-2.8A)
CA  A1593 ( 2.3A)
 1.37A 4kr3A-4amfA:
undetectable		 4kr3A-4amfA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Sus scrofa) 		PF00063
(Myosin_head)
PF01353
(GFP) 		4 GLU A 469
ARG A 205
GLU A 231
SER A 233
 None
 1.08A 4kr3A-4anjA:
undetectable		 4kr3A-4anjA:
21.22
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		4 GLU A 182
ARG A 183
GLU A 258
ARG A 380
 2DG  A1001 (-3.5A)
None
2DG  A1001 (-1.6A)
None
 1.45A 4kr3A-4ccdA:
undetectable		 4kr3A-4ccdA:
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.
4cd8 ENDO-BETA-1,4-MANNAN
ASE

(Alicyclobacillus
acidocaldarius) 		no annotation 4 GLU A 231
ARG A 104
GLU A 151
SER A 201
 MVL  A 400 (-2.8A)
MVL  A 400 (-2.9A)
MVL  A 400 (-2.6A)
MVL  A 400 ( 4.5A)
 1.18A 4kr3A-4cd8A:
undetectable		 4kr3A-4cd8A:
18.55
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.
4dpg LYSINE--TRNA LIGASE

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ARG A 323
GLU A 494
ARG A 485
GLU A 487
 APC  A 602 (-3.1A)
MG  A 603 ( 3.4A)
None
MG  A 603 (-3.4A)
 1.32A 4kr3A-4dpgA:
13.4		 4kr3A-4dpgA:
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.
4ilo CT398

(Chlamydia
trachomatis) 		PF02591
(zf-RING_7) 		4 ARG A  43
ARG A 147
GLU A 143
SER A 139
 None
 1.39A 4kr3A-4iloA:
undetectable		 4kr3A-4iloA:
20.14
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.
4jn7 ENOLASE

(Agrobacterium
tumefaciens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 382
GLU A 242
GLU A 217
SER A 243
 LMR  A 402 (-4.0A)
LMR  A 402 ( 2.6A)
None
None
 1.50A 4kr3A-4jn7A:
undetectable		 4kr3A-4jn7A:
20.50
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.
4nj5 PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH9

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		4 GLU A 631
ARG A 508
GLU A 502
SER A 500
 None
 1.26A 4kr3A-4nj5A:
undetectable		 4kr3A-4nj5A:
22.22
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.
4nmi ECTD

(Virgibacillus
salexigens) 		PF05721
(PhyH) 		4 GLU A  87
ARG A  92
GLU A  85
SER A  88
 None
 1.12A 4kr3A-4nmiA:
undetectable		 4kr3A-4nmiA:
20.22
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.
4p63 PROBABLE
DEOXYHYPUSINE
SYNTHASE

(Pyrococcus
horikoshii) 		PF01916
(DS) 		4 GLU A  62
ARG A  63
GLU A  58
ARG A 336
 None
 1.25A 4kr3A-4p63A:
undetectable		 4kr3A-4p63A:
20.53
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.
4ppz SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Neisseria
meningitidis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 164
ARG A 179
GLU A 135
GLU A 136
 ZN  A 601 (-2.1A)
None
ZN  A 601 (-3.9A)
ZN  A 602 ( 1.9A)
 1.23A 4kr3A-4ppzA:
undetectable		 4kr3A-4ppzA:
19.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		6 GLU A 245
ARG A 277
GLU A 296
ARG A 410
GLU A 522
SER A 524
 None
AMP  A 701 (-2.9A)
None
None
None
AMP  A 701 (-3.2A)
 0.71A 4kr3A-4qeiA:
52.5		 4kr3A-4qeiA:
99.84
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLU A 296
ARG A 352
GLU A 208
GLU A 276
 None
 1.40A 4kr3A-4rcnA:
3.5		 4kr3A-4rcnA:
21.45
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.
4umi FIBER PROTEIN

(Snake
atadenovirus A) 		no annotation 4 GLU A 264
ARG A 271
GLU A 262
SER A 241
 None
 0.97A 4kr3A-4umiA:
undetectable		 4kr3A-4umiA:
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.
4x8r TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		4 GLU A 235
ARG A 147
GLU A  71
SER A  92
 BDP  A 401 (-2.9A)
BDP  A 401 (-3.0A)
BDP  A 401 (-2.7A)
BDP  A 401 ( 4.0A)
 1.20A 4kr3A-4x8rA:
2.6		 4kr3A-4x8rA:
20.29
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.
4xmm NUCLEOPORIN SEH1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 GLU C  86
ARG C  70
GLU C  92
SER C  48
 None
 1.40A 4kr3A-4xmmC:
undetectable		 4kr3A-4xmmC:
19.53
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.
4zck GTP-BINDING PROTEIN
TYPA/BIPA

(Escherichia
coli) 		PF00679
(EFG_C) 		4 GLU A 322
GLU A 379
ARG A 586
GLU A 579
 None
 1.31A 4kr3A-4zckA:
undetectable		 4kr3A-4zckA:
21.59
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.
4zn2 PSLG

(Pseudomonas
aeruginosa) 		PF00150
(Cellulase) 		4 ARG A 138
GLU A  89
ARG A 146
GLU A  86
 None
 1.49A 4kr3A-4zn2A:
undetectable		 4kr3A-4zn2A:
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.
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi arvense) 		PF01344
(Kelch_1) 		4 ARG A 157
GLU A 220
GLU A 266
SER A 249
 IOD  A1349 (-4.5A)
None
None
None
 1.31A 4kr3A-5a11A:
undetectable		 4kr3A-5a11A:
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.
5a60 INORGANIC
TRIPHOSPHATASE

(Escherichia
coli) 		PF01928
(CYTH) 		4 ARG A  58
GLU A 162
ARG A  81
GLU A   6
 3PO  A1000 (-2.9A)
MG  A 501 (-3.0A)
3PO  A1000 (-2.9A)
MG  A 501 (-2.6A)
 1.43A 4kr3A-5a60A:
undetectable		 4kr3A-5a60A:
22.04
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.
5a60 INORGANIC
TRIPHOSPHATASE

(Escherichia
coli) 		PF01928
(CYTH) 		4 GLU A   6
ARG A  81
GLU A 162
ARG A 126
 MG  A 501 (-2.6A)
3PO  A1000 (-2.9A)
MG  A 501 (-3.0A)
3PO  A1000 (-2.8A)
 1.45A 4kr3A-5a60A:
undetectable		 4kr3A-5a60A:
22.04
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.
5b8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Coccidioides
immitis) 		PF00254
(FKBP_C) 		4 ARG C  53
GLU C  60
GLU C  59
SER C  57
 MES  A 404 (-2.9A)
EDO  C 202 ( 2.7A)
EDO  C 203 ( 4.4A)
EDO  C 202 ( 4.2A)
 1.43A 4kr3A-5b8iC:
undetectable		 4kr3A-5b8iC:
13.18
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.
5bv3 M7GPPPX
DIPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		4 GLU A 329
ARG A 336
ARG A 144
GLU A 140
 None
 1.33A 4kr3A-5bv3A:
undetectable		 4kr3A-5bv3A:
19.29
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.
5c7q NUDF PROTEIN

(Bdellovibrio
bacteriovorus) 		PF00293
(NUDIX) 		4 GLU A 140
ARG A  64
GLU A  96
GLU A  92
 None
SO4  A 201 ( 3.1A)
None
None
 1.48A 4kr3A-5c7qA:
undetectable		 4kr3A-5c7qA:
14.67
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 GLU A 387
ARG A 458
GLU A 300
GLU A 365
 None
 1.41A 4kr3A-5cslA:
undetectable		 4kr3A-5cslA:
14.72
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.
5cw9 DE NOVO DESIGNED
FERREDOXIN-FERREDOXI
N DOMAIN INSERTION
PROTEIN

(synthetic
construct) 		no annotation 4 GLU A  55
ARG A  58
ARG A  97
GLU A  94
 None
 1.15A 4kr3A-5cw9A:
1.8		 4kr3A-5cw9A:
14.67
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.
5dan 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Thermotoga
maritima) 		PF00248
(Aldo_ket_red) 		4 GLU A  56
ARG A 105
GLU A  64
SER A  83
 None
 1.00A 4kr3A-5danA:
undetectable		 4kr3A-5danA:
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 ARG A 718
GLU A 696
GLU A 635
SER A 723
 None
 1.41A 4kr3A-5dotA:
1.0		 4kr3A-5dotA:
19.64
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.
5gne LEUCINE
AMINOPEPTIDASE

(Legionella
pneumophila) 		PF04389
(Peptidase_M28) 		4 GLU A 261
GLU A 260
ARG A  74
SER A 338
 ZN  A 401 (-2.6A)
ZN  A 402 ( 3.7A)
ZN  A 401 ( 3.7A)
ZN  A 402 ( 4.8A)
 1.37A 4kr3A-5gneA:
2.3		 4kr3A-5gneA:
20.65
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.
5gqt NITRILE-SPECIFIER
PROTEIN 1

(Arabidopsis
thaliana) 		PF01344
(Kelch_1)
PF01419
(Jacalin)
PF13415
(Kelch_3) 		4 ARG A 292
GLU A 341
GLU A 386
SER A 369
 None
 1.04A 4kr3A-5gqtA:
undetectable		 4kr3A-5gqtA:
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.
5h80 CARBOXYLASE

(Deinococcus
radiodurans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLU A 294
ARG A 342
GLU A 209
GLU A 273
 None
 1.47A 4kr3A-5h80A:
2.4		 4kr3A-5h80A:
21.90
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.
5hmp UNCONVENTIONAL
MYOSIN-VC

(Homo sapiens) 		PF00063
(Myosin_head) 		4 GLU A 448
ARG A 217
GLU A 243
SER A 245
 None
 1.08A 4kr3A-5hmpA:
undetectable		 4kr3A-5hmpA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		4 GLU A 175
ARG A 194
GLU A 173
SER A 149
 4CT  A 301 (-2.2A)
4CT  A 301 ( 4.2A)
None
None
 1.13A 4kr3A-5k1zA:
undetectable		 4kr3A-5k1zA:
17.14
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.
5k3j ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 ARG A 598
GLU A  16
ARG A 319
GLU A  13
 None
 1.35A 4kr3A-5k3jA:
undetectable		 4kr3A-5k3jA:
23.80
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT ALPHA

(Methylobacillus
flagellatus) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLU A 295
ARG A 337
GLU A 209
GLU A 274
 None
 1.39A 4kr3A-5ks8A:
3.3		 4kr3A-5ks8A:
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.
5ldf GLUTAMINE SYNTHETASE

(Salmonella
enterica) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 GLU A 357
ARG A 355
GLU A 129
ARG A 339
 None
 1.45A 4kr3A-5ldfA:
undetectable		 4kr3A-5ldfA:
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.
5mbv HOST-NUCLEASE
INHIBITOR PROTEIN
GAM

(Escherichia
virus Lambda) 		PF06064
(Gam) 		4 GLU A 125
ARG A 121
GLU A  68
GLU A  65
 None
 1.15A 4kr3A-5mbvA:
undetectable		 4kr3A-5mbvA:
9.25
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.
5mlk ACETYL-COA
CARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLU A 306
ARG A 347
GLU A 220
GLU A 285
 None
 1.47A 4kr3A-5mlkA:
2.5		 4kr3A-5mlkA:
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.
5ubg ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Campylobacter
jejuni) 		no annotation 4 GLU A  23
ARG A 224
GLU A  27
SER A  26
 None
 1.47A 4kr3A-5ubgA:
undetectable		 4kr3A-5ubgA:
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.
5v41 POLYKETIDE SYNTHASE
PKS13 (TERMINATION
POLYKETIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF00975
(Thioesterase) 		4 GLU A1504
ARG A1510
ARG A1634
GLU A1608
 None
 1.26A 4kr3A-5v41A:
2.7		 4kr3A-5v41A:
20.03
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.
5y2p -

(-) 		no annotation 4 GLU A 243
ARG A 263
GLU A  34
SER A 239
 None
 1.40A 4kr3A-5y2pA:
undetectable		 4kr3A-5y2pA:
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.
5y50 PROTEIN
DETOXIFICATION 14

(Arabidopsis
thaliana) 		no annotation 4 GLU A 304
ARG A 168
GLU A  89
SER A 311
 None
 1.32A 4kr3A-5y50A:
undetectable		 4kr3A-5y50A:
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.
5ybb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Caldanaerobacter
subterraneus) 		no annotation 4 GLU A 462
ARG A 457
GLU A 386
SER A 354
 None
 1.25A 4kr3A-5ybbA:
undetectable		 4kr3A-5ybbA:
20.42
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 4 GLU A1397
ARG A1401
ARG A2022
GLU A2018
 None
 1.43A 4kr3A-6bq1A:
undetectable		 4kr3A-6bq1A:
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.
6cia ALDO/KETO REDUCTASE

(Klebsiella
pneumoniae) 		no annotation 4 GLU A  53
ARG A 101
GLU A  61
SER A  79
 None
 0.94A 4kr3A-6ciaA:
undetectable		 4kr3A-6ciaA:
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 4 GLU A 279
ARG A 301
GLU A 146
SER A 143
 None
 1.46A 4kr3A-6cipA:
2.9		 4kr3A-6cipA:
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.
6dt3 NUCLEOSIDE
TRIPHOSPHATASE NUDI

(Klebsiella
pneumoniae) 		no annotation 4 ARG A   4
GLU A  57
ARG A  26
GLU A 110
 None
 1.12A 4kr3A-6dt3A:
undetectable		 4kr3A-6dt3A:
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 4 ARG A 320
GLU A 645
ARG A 676
SER A 644
 None
G39  A 908 (-4.0A)
None
G39  A 908 ( 3.8A)
 1.35A 4kr3A-6eksA:
undetectable		 4kr3A-6eksA:
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 4 ARG A2157
ARG A2256
GLU A2327
SER A2334
 None
 1.43A 4kr3A-6emkA:
undetectable		 4kr3A-6emkA:
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.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 4 GLU A 326
ARG A 332
GLU A 471
SER A 447
 None
 1.21A 4kr3A-6evgA:
undetectable		 4kr3A-6evgA:
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.
6fbk SERINE/THREONINE-PRO
TEIN KINASE WNK2
SERINE/THREONINE-PRO
TEIN KINASE WNK1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 GLU A 505
GLU A 509
ARG P1256
GLU A 513
 None
 1.21A 4kr3A-6fbkA:
undetectable		 4kr3A-6fbkA:
undetectable