SIMILAR PATTERNS OF AMINO ACIDS FOR 1KIJ_A_NOVA400_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1aj6 GYRASE

(Escherichia
coli) 		PF02518
(HATPase_c) 		7 GLU A  50
ASP A  73
ARG A  76
ILE A  78
PRO A  79
ILE A  94
THR A 165
 NOV  A   1 (-3.8A)
NOV  A   1 (-3.5A)
NOV  A   1 (-3.5A)
NOV  A   1 (-4.1A)
NOV  A   1 (-4.2A)
NOV  A   1 ( 4.4A)
NOV  A   1 ( 4.1A)
 0.46A 1kijA-1aj6A:
28.2		 1kijA-1aj6A:
35.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b63 MUTL

(Escherichia
coli) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		5 ASP A  36
ASP A  58
ILE A  63
ASP A  66
THR A 143
 None
ANP  A 380 (-3.6A)
ANP  A 380 (-4.5A)
None
ANP  A 380 (-3.7A)
 0.97A 1kijA-1b63A:
19.2		 1kijA-1b63A:
23.61
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.
1hus RIBOSOMAL PROTEIN S7

(Geobacillus
stearothermophilus) 		PF00177
(Ribosomal_S7) 		5 ILE A  49
PRO A  57
ILE A 123
ARG A  50
THR A  53
 None
 1.41A 1kijA-1husA:
undetectable		 1kijA-1husA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i5a CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c) 		5 ASP A 412
ASP A 449
ARG A 452
ILE A 454
THR A 531
 None
ACP  A 998 (-3.7A)
None
ACP  A 998 (-4.3A)
ACP  A 998 (-3.8A)
 1.22A 1kijA-1i5aA:
5.8		 1kijA-1i5aA:
18.07
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.
1id1 PUTATIVE POTASSIUM
CHANNEL PROTEIN

(Escherichia
coli) 		PF02254
(TrkA_N) 		5 ASP A 100
ASP A 122
ILE A  77
ILE A  71
THR A 103
 None
 1.46A 1kijA-1id1A:
undetectable		 1kijA-1id1A:
18.93
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		5 GLU A 138
ILE A  74
PRO A 151
ASP A  71
ILE A  99
 None
 1.40A 1kijA-1j0aA:
undetectable		 1kijA-1j0aA:
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASP A1026
GLU A1114
ILE A1056
PRO A1057
ILE A1061
 None
 1.19A 1kijA-1n5xA:
undetectable		 1kijA-1n5xA:
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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ASP A  73
ILE A 104
PRO A 105
ILE A 120
THR A 195
 None
ANP  A 901 (-4.9A)
None
ANP  A 901 (-3.8A)
ANP  A 901 ( 4.2A)
 0.79A 1kijA-1pvgA:
28.5		 1kijA-1pvgA:
26.09
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.
1qsp YPD1

(Saccharomyces
cerevisiae) 		PF01627
(Hpt) 		5 ASP A 118
GLU A 119
ASP A 120
ILE A 115
ILE A 112
 None
 1.39A 1kijA-1qspA:
undetectable		 1kijA-1qspA:
17.69
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.
1s14 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		9 ASP A1045
GLU A1046
ASP A1069
ARG A1072
PRO A1075
ASP A1077
ILE A1090
ARG A1132
THR A1163
 None
NOV  A1300 (-3.7A)
NOV  A1300 (-3.4A)
NOV  A1300 (-3.1A)
NOV  A1300 (-4.5A)
NOV  A1300 (-2.7A)
NOV  A1300 ( 4.6A)
NOV  A1300 (-2.9A)
NOV  A1300 ( 4.0A)
 0.31A 1kijA-1s14A:
24.0		 1kijA-1s14A:
27.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s16 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASP A1045
GLU A1046
ASP A1069
ARG A1072
PRO A1075
ASP A1077
ILE A1090
ARG A1132
THR A1163
 None
ANP  A1500 (-3.7A)
ANP  A1500 (-3.5A)
None
None
None
ANP  A1500 ( 3.2A)
None
ANP  A1500 (-3.7A)
 0.60A 1kijA-1s16A:
41.0		 1kijA-1s16A:
40.65
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.
1spx SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5L265)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 ASP A 234
GLU A 237
ILE A 239
ILE A 190
THR A  22
 None
 1.26A 1kijA-1spxA:
undetectable		 1kijA-1spxA:
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.
1wu8 HYPOTHETICAL PROTEIN
PH0463

(Pyrococcus
horikoshii) 		PF01887
(SAM_adeno_trans) 		5 ASP A 112
ARG A 150
ILE A 109
ASP A  90
ILE A 131
 None
 1.35A 1kijA-1wu8A:
undetectable		 1kijA-1wu8A:
23.31
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.
1yif BETA-1,4-XYLOSIDASE

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		5 ASP A  23
GLU A  22
ILE A 318
PRO A 319
THR A 256
 None
 1.29A 1kijA-1yifA:
undetectable		 1kijA-1yifA:
22.26
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.
1zxn DNA TOPOISOMERASE
II, ALPHA ISOZYME

(Homo sapiens) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ASP A  94
ILE A 125
PRO A 126
ILE A 141
THR A 215
 None
ADP  A 901 (-4.4A)
None
ADP  A 901 (-3.7A)
ADP  A 901 ( 4.1A)
 0.85A 1kijA-1zxnA:
27.0		 1kijA-1zxnA:
26.34
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.
2dyu FORMAMIDASE

(Helicobacter
pylori) 		PF00795
(CN_hydrolase) 		5 ASP A  79
GLU A 105
ARG A 132
ILE A 119
ILE A 127
 None
 1.18A 1kijA-2dyuA:
undetectable		 1kijA-2dyuA:
21.53
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.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ASP A 459
GLU A 445
ARG A 447
ILE A 466
ASP A 340
 None
 1.49A 1kijA-2e5vA:
undetectable		 1kijA-2e5vA:
25.30
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.
2nn6 POLYMYOSITIS/SCLEROD
ERMA AUTOANTIGEN 1

(Homo sapiens) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 GLU A 211
ASP A 142
ILE A 145
ILE A 146
THR A  53
 None
 1.40A 1kijA-2nn6A:
undetectable		 1kijA-2nn6A:
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.
2pk0 SERINE/THREONINE
PROTEIN PHOSPHATASE
STP1

(Streptococcus
agalactiae) 		PF13672
(PP2C_2) 		5 GLU A  79
ILE A  78
PRO A 174
ASP A 175
ILE A 101
 None
 1.46A 1kijA-2pk0A:
undetectable		 1kijA-2pk0A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pl1 TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOP

(Escherichia
coli) 		PF00072
(Response_reg) 		5 GLU A  57
ASP A  58
ARG A  65
ILE A  63
ILE A  75
 None
 0.92A 1kijA-2pl1A:
undetectable		 1kijA-2pl1A:
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.
2qby CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG 1

(Sulfolobus
solfataricus) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 ASP A 149
GLU A 147
ASP A 146
ASP A 254
THR A  70
 None
MG  A   6 ( 4.3A)
MG  A   6 (-4.0A)
None
MG  A   6 ( 3.2A)
 1.29A 1kijA-2qbyA:
undetectable		 1kijA-2qbyA:
22.99
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 GLU A 190
ARG A 176
ILE A 184
ILE A   6
THR A 186
 None
 1.24A 1kijA-2uzzA:
undetectable		 1kijA-2uzzA:
20.63
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ASP A 205
ILE A 237
LYS A  10
ARG A 225
THR A 228
 None
 1.31A 1kijA-2wc7A:
undetectable		 1kijA-2wc7A:
23.35
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		5 ASP A 177
ILE A 145
PRO A 146
ASP A 150
THR A 187
 None
 1.23A 1kijA-2whlA:
undetectable		 1kijA-2whlA:
21.20
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.
3awd PUTATIVE POLYOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 ASP A  41
ASP A  67
ILE A 118
ILE A  97
THR A  69
 None
 1.31A 1kijA-3awdA:
undetectable		 1kijA-3awdA:
22.08
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.
3bt6 INFLUENZA B
HEMAGGLUTININ (HA)

(Influenza B
virus) 		PF00509
(Hemagglutinin) 		5 ASP A  64
ILE A  97
PRO A  96
ILE A 243
THR A  91
 None
 1.23A 1kijA-3bt6A:
undetectable		 1kijA-3bt6A:
21.91
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.
3chx PMOA
PMOB
PMOC

(Methylosinus
trichosporium) 		PF02461
(AMO)
PF04744
(Monooxygenase_B)
PF04896
(AmoC) 		5 ARG C 138
ILE C 137
ASP C  52
ILE A 158
THR B 196
 None
 1.35A 1kijA-3chxC:
undetectable		 1kijA-3chxC:
21.71
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.
3ea0 ATPASE, PARA FAMILY

(Chlorobaculum
tepidum) 		PF13614
(AAA_31) 		5 ASP A 205
ASP A 180
ARG A 178
ILE A 202
ILE A 232
 None
None
ATP  A 243 (-3.1A)
None
None
 1.18A 1kijA-3ea0A:
undetectable		 1kijA-3ea0A:
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.
3fho ATP-DEPENDENT RNA
HELICASE DBP5

(Schizosaccharomyces
pombe) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 GLU A 336
ILE A 368
ASP A 375
ILE A 357
ARG A 371
 None
 1.43A 1kijA-3fhoA:
undetectable		 1kijA-3fhoA:
17.43
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.
3fv5 DNA TOPOISOMERASE 4
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		8 ASP A  45
GLU A  46
ASP A  69
ARG A  72
PRO A  75
ILE A  90
ARG A 132
THR A 163
 None
1EU  A   2 (-3.4A)
1EU  A   2 (-3.3A)
1EU  A   2 (-3.3A)
1EU  A   2 (-4.2A)
1EU  A   2 (-4.5A)
1EU  A   2 (-3.9A)
1EU  A   2 (-3.7A)
 0.56A 1kijA-3fv5A:
27.2		 1kijA-3fv5A:
29.37
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.
3fv5 DNA TOPOISOMERASE 4
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		8 GLU A  46
ASP A  69
ARG A  72
PRO A  75
ASP A  77
ILE A  90
ARG A 132
THR A 163
 1EU  A   2 (-3.4A)
1EU  A   2 (-3.3A)
1EU  A   2 (-3.3A)
1EU  A   2 (-4.2A)
None
1EU  A   2 (-4.5A)
1EU  A   2 (-3.9A)
1EU  A   2 (-3.7A)
 0.95A 1kijA-3fv5A:
27.2		 1kijA-3fv5A:
29.37
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.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 129
ARG A 166
ILE A 174
PRO A 173
ILE A 149
 None
 1.32A 1kijA-3g1uA:
undetectable		 1kijA-3g1uA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN

(Klebsiella
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLU A 413
ASP A 412
ILE A 209
ILE A 156
THR A 398
 None
 1.32A 1kijA-3io1A:
undetectable		 1kijA-3io1A:
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.
3jug BETA-MANNANASE

(Bacillus sp.
N16-5) 		PF00150
(Cellulase) 		5 ASP A 208
ILE A 176
PRO A 177
ASP A 181
THR A 218
 None
 1.24A 1kijA-3jugA:
undetectable		 1kijA-3jugA:
23.15
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.
3klj NAD(FAD)-DEPENDENT
DEHYDROGENASE,
NIRB-FAMILY
(N-TERMINAL DOMAIN)

(Clostridium
acetobutylicum) 		PF07992
(Pyr_redox_2) 		5 ASP A 228
ASP A 232
ILE A 235
ILE A 241
THR A 233
 None
 1.20A 1kijA-3kljA:
undetectable		 1kijA-3kljA:
20.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lps TOPOISOMERASE IV
SUBUNIT B

(Xanthomonas
oryzae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASP A  89
GLU A  90
ASP A 113
ARG A 116
PRO A 119
ASP A 121
ILE A 134
ARG A 176
THR A 207
 NOV  A 901 ( 4.8A)
NOV  A 901 (-3.8A)
NOV  A 901 (-3.5A)
NOV  A 901 (-3.4A)
NOV  A 901 (-4.5A)
NOV  A 901 (-2.6A)
NOV  A 901 ( 4.9A)
NOV  A 901 (-2.5A)
NOV  A 901 ( 4.2A)
 0.45A 1kijA-3lpsA:
39.5		 1kijA-3lpsA:
36.84
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 ASP A 143
GLU A 147
ARG A 108
ARG A 112
THR A 150
 None
 1.42A 1kijA-3lscA:
undetectable		 1kijA-3lscA:
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.
3mtj HOMOSERINE
DEHYDROGENASE

(Thiobacillus
denitrificans) 		PF00742
(Homoserine_dh)
PF01842
(ACT)
PF03447
(NAD_binding_3) 		5 GLU A 432
ILE A 267
PRO A 268
ILE A 273
THR A 265
 None
 1.11A 1kijA-3mtjA:
undetectable		 1kijA-3mtjA:
25.68
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.
3sju KETO REDUCTASE

(Streptomyces
griseoruber) 		PF00106
(adh_short) 		5 GLU A 172
ILE A 178
ILE A 137
ARG A 130
THR A 176
 None
 1.42A 1kijA-3sjuA:
undetectable		 1kijA-3sjuA:
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ASP C1026
GLU C1114
ILE C1056
PRO C1057
ILE C1061
 None
 1.14A 1kijA-3sr6C:
4.0		 1kijA-3sr6C:
21.64
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.
3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Sphingomonas
sp. SKA58) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A  96
ILE A 375
ASP A 378
LYS A 100
THR A  20
 None
 1.33A 1kijA-3thuA:
undetectable		 1kijA-3thuA:
23.41
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.
3u2k DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		10 ASP A  57
GLU A  58
ASP A  81
ARG A  84
ILE A  86
PRO A  87
ASP A  89
ILE A 102
ARG A 144
THR A 173
 MG  A 234 ( 4.8A)
087  A   1 (-3.4A)
087  A   1 (-3.5A)
087  A   1 (-3.8A)
087  A   1 (-4.4A)
087  A   1 (-4.3A)
None
None
087  A   1 (-2.5A)
087  A   1 ( 3.8A)
 0.60A 1kijA-3u2kA:
26.9		 1kijA-3u2kA:
27.44
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A  96
ILE A 375
ASP A 378
LYS A 100
THR A  20
 None
 1.36A 1kijA-3vcnA:
undetectable		 1kijA-3vcnA:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zkb DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASP A  55
GLU A  56
ASP A  79
ARG A  82
ILE A  84
PRO A  85
ARG A 141
 None
ANP  A 601 (-3.9A)
ANP  A 601 (-3.7A)
None
ANP  A 601 (-4.3A)
None
None
 0.61A 1kijA-3zkbA:
44.2		 1kijA-3zkbA:
43.12
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.
4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ASP A 807
ASP A1087
ARG A1027
ILE A 804
ILE A 888
 None
 1.49A 1kijA-4agdA:
undetectable		 1kijA-4agdA:
23.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b6c DNA GYRASE SUBUNIT B

(Mycolicibacterium
smegmatis) 		PF02518
(HATPase_c) 		8 ASP A  55
GLU A  56
ASP A  79
ARG A  82
ILE A  84
PRO A  85
ARG A 141
THR A 169
 None
B5U  A1256 (-3.6A)
B5U  A1256 (-3.5A)
B5U  A1256 (-3.4A)
B5U  A1256 (-4.3A)
B5U  A1256 (-4.2A)
B5U  A1256 ( 4.4A)
B5U  A1256 (-3.6A)
 0.33A 1kijA-4b6cA:
22.5		 1kijA-4b6cA:
35.25
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.
4cr4 26S PROTEASE
REGULATORY SUBUNIT
6B HOMOLOG

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		5 ASP K 256
ASP K 155
ILE K 235
ASP K 272
ILE K 269
 None
 1.43A 1kijA-4cr4K:
undetectable		 1kijA-4cr4K:
23.26
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.
4cxo ENDONUCLEASE 2

(Arabidopsis
thaliana) 		PF02265
(S1-P1_nuclease) 		5 ASP A 207
ASP A  73
ILE A 214
ASP A 219
THR A  62
 D5M  A 430 ( 4.7A)
None
None
None
None
 1.44A 1kijA-4cxoA:
undetectable		 1kijA-4cxoA:
21.46
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.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 377
ILE A 322
PRO A 321
ILE A 374
THR A  19
 None
 1.19A 1kijA-4e4fA:
undetectable		 1kijA-4e4fA:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4em7 DNA TOPOISOMERASE
IV, B SUBUNIT

(Streptococcus
pneumoniae) 		PF02518
(HATPase_c) 		7 ASP A  54
GLU A  55
ASP A  78
ARG A  81
ILE A  98
ARG A 140
THR A 172
 None
0RA  A 301 (-3.4A)
0RA  A 301 (-3.6A)
0RA  A 301 ( 3.8A)
None
0RA  A 301 (-2.5A)
0RA  A 301 ( 3.9A)
 0.65A 1kijA-4em7A:
28.6		 1kijA-4em7A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4em7 DNA TOPOISOMERASE
IV, B SUBUNIT

(Streptococcus
pneumoniae) 		PF02518
(HATPase_c) 		7 ASP A  54
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
THR A 172
 None
0RA  A 301 (-3.4A)
0RA  A 301 (-3.6A)
0RA  A 301 ( 3.8A)
0RA  A 301 ( 4.8A)
None
0RA  A 301 ( 3.9A)
 0.73A 1kijA-4em7A:
28.6		 1kijA-4em7A:
33.33
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.
4f0g SERINE/THREONINE-PRO
TEIN KINASE ROCO4

(Dictyostelium
discoideum) 		PF07714
(Pkinase_Tyr) 		5 ILE A1256
PRO A1257
ASP A1259
ILE A1268
LYS A1129
 None
 1.45A 1kijA-4f0gA:
undetectable		 1kijA-4f0gA:
21.73
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 ASP A  73
ILE A 104
PRO A 105
ILE A 120
THR A 195
 None
None
None
ANP  A1202 (-3.8A)
ANP  A1202 (-3.4A)
 0.83A 1kijA-4gfhA:
28.0		 1kijA-4gfhA:
15.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hxw DNA GYRASE SUBUNIT B

(Enterococcus
faecalis) 		PF02518
(HATPase_c) 		7 ASP A  58
GLU A  59
ASP A  82
ARG A  85
ILE A  87
PRO A  88
THR A 174
 None
1A0  A 301 (-3.2A)
1A0  A 301 (-3.4A)
1A0  A 301 (-3.5A)
1A0  A 301 (-3.9A)
1A0  A 301 (-4.2A)
1A0  A 301 (-3.6A)
 0.60A 1kijA-4hxwA:
28.5		 1kijA-4hxwA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		8 ASP A  44
GLU A  45
ASP A  68
ARG A  71
ASP A  76
ILE A  89
ARG A 131
THR A 162
 None
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.0A)
None
CJC  A 401 (-4.6A)
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 0.96A 1kijA-4hymA:
37.0		 1kijA-4hymA:
37.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASP A  44
GLU A  45
ASP A  68
PRO A  74
ASP A  76
ARG A 131
THR A 162
 None
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.7A)
None
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 1.24A 1kijA-4hymA:
37.0		 1kijA-4hymA:
37.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hz5 DNA TOPOISOMERASE
IV, B SUBUNIT

(Enterococcus
faecalis) 		PF02518
(HATPase_c) 		8 ASP A  52
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
ARG A 138
THR A 169
 None
19Y  A 301 (-3.3A)
19Y  A 301 (-3.3A)
19Y  A 301 (-4.0A)
19Y  A 301 (-4.0A)
19Y  A 301 ( 4.7A)
19Y  A 301 ( 4.8A)
19Y  A 301 (-3.7A)
 0.76A 1kijA-4hz5A:
27.7		 1kijA-4hz5A:
40.35
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.
4idt MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 14

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLU A 617
ARG A 673
ILE A 618
PRO A 619
ILE A 630
 None
 1.21A 1kijA-4idtA:
undetectable		 1kijA-4idtA:
24.53
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 ARG A 285
ILE A 287
PRO A 288
ASP A 290
THR A 324
 None
ANP  A 402 (-4.3A)
ANP  A 402 ( 4.4A)
None
ANP  A 402 (-3.6A)
 1.30A 1kijA-4r39A:
4.0		 1kijA-4r39A:
20.91
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 ASP A 282
ILE A 287
PRO A 288
ASP A 290
THR A 324
 ANP  A 402 (-2.7A)
ANP  A 402 (-4.3A)
ANP  A 402 ( 4.4A)
None
ANP  A 402 (-3.6A)
 0.99A 1kijA-4r39A:
4.0		 1kijA-4r39A:
20.91
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.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ASP A 282
ILE A 287
PRO A 288
ASP A 290
THR A 324
 ANP  A 401 (-3.3A)
ANP  A 401 (-4.3A)
ANP  A 401 ( 4.7A)
None
ANP  A 401 ( 4.1A)
 1.15A 1kijA-4r3aA:
3.9		 1kijA-4r3aA:
21.83
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT
2-HYDROXYISOBUTYRYL-
COA MUTASE SMALL
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 ASP C  98
GLU C  99
ASP C 100
ILE A 483
ILE A 481
 None
 1.37A 1kijA-4r3uC:
undetectable		 1kijA-4r3uC:
20.24
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.
4rap GLYCOSYLTRANSFERASE
TIBC

(Escherichia
coli) 		PF01075
(Glyco_transf_9) 		5 ASP A 276
ASP A 256
ILE A 221
ILE A 242
THR A 223
 None
 1.46A 1kijA-4rapA:
undetectable		 1kijA-4rapA:
20.32
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.
4ri0 SERINE PROTEASE
HTRA3

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A 332
PRO A 333
ASP A 335
ILE A 228
THR A 321
 None
 1.45A 1kijA-4ri0A:
undetectable		 1kijA-4ri0A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4trr PUTATIVE
D-BETA-HYDROXYBUTYRA
TE DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 ASP A  37
ASP A  63
ILE A 113
ILE A  93
THR A  65
 None
 1.44A 1kijA-4trrA:
undetectable		 1kijA-4trrA:
23.54
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.
4uop LIPOTEICHOIC ACID
PRIMASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		5 ASP A 364
ASP A 429
ILE A 436
ASP A 441
THR A 256
 None
 1.37A 1kijA-4uopA:
undetectable		 1kijA-4uopA:
22.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4url DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASP A  52
GLU A  53
ASP A  76
ARG A  79
ILE A  96
ARG A 138
THR A 168
 None
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
None
None
XAM  A2000 (-3.6A)
 0.76A 1kijA-4urlA:
44.0		 1kijA-4urlA:
46.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4url DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASP A  52
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
THR A 168
 None
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
XAM  A2000 (-4.8A)
None
XAM  A2000 (-3.6A)
 0.71A 1kijA-4urlA:
44.0		 1kijA-4urlA:
46.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urm DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		8 ASP A  57
GLU A  58
ASP A  81
ARG A  84
ILE A  86
PRO A  87
ASP A  89
THR A 173
 None
XAM  A2000 (-2.6A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.6A)
XAM  A2000 (-4.5A)
XAM  A2000 ( 4.9A)
None
XAM  A2000 (-3.8A)
 0.91A 1kijA-4urmA:
28.7		 1kijA-4urmA:
32.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urm DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		9 ASP A  57
GLU A  58
ASP A  81
ARG A  84
ILE A  86
PRO A  87
ILE A 102
ARG A 144
THR A 173
 None
XAM  A2000 (-2.6A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.6A)
XAM  A2000 (-4.5A)
XAM  A2000 ( 4.9A)
XAM  A2000 (-4.5A)
None
XAM  A2000 (-3.8A)
 0.61A 1kijA-4urmA:
28.7		 1kijA-4urmA:
32.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urn DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		8 ASP A  52
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
ARG A 138
THR A 168
 NOV  A2000 (-4.6A)
NOV  A2000 (-3.4A)
NOV  A2000 (-3.5A)
NOV  A2000 (-3.2A)
NOV  A2000 (-4.1A)
NOV  A2000 (-4.2A)
NOV  A2000 (-2.9A)
NOV  A2000 (-3.9A)
 0.89A 1kijA-4urnA:
27.9		 1kijA-4urnA:
32.07
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.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY

(Trichoderma
reesei) 		PF13426
(PAS_9) 		5 ASP A 109
ARG A 158
ILE A 161
ILE A 187
ARG A 162
 None
FMN  A5201 (-3.7A)
FMN  A5201 (-3.8A)
FMN  A5201 (-4.0A)
SO4  A5202 ( 2.4A)
 1.36A 1kijA-4wujA:
undetectable		 1kijA-4wujA:
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASP A1026
GLU A1114
ILE A1056
PRO A1057
ILE A1061
 None
 1.13A 1kijA-4yswA:
undetectable		 1kijA-4yswA:
15.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zvi DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASP A  49
GLU A  50
ASP A  73
ARG A  76
ILE A  78
PRO A  79
ILE A  94
ARG A 136
THR A 165
 None
4S4  A 401 (-3.1A)
4S4  A 401 (-3.4A)
4S4  A 401 (-2.8A)
4S4  A 401 (-4.4A)
4S4  A 401 (-4.5A)
None
None
4S4  A 401 ( 3.8A)
 0.59A 1kijA-4zviA:
42.3		 1kijA-4zviA:
45.66
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.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 GLU A 558
ARG A 406
ILE A 405
ASP A 507
ILE A 393
 None
None
None
MG  A2160 (-3.6A)
None
 1.37A 1kijA-5aorA:
undetectable		 1kijA-5aorA:
16.33
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.
5b69 GERANYLGERANYLGLYCER
YL PHOSPHATE
SYNTHASE

(Thermoplasma
acidophilum) 		PF01884
(PcrB) 		5 ASP A  23
ILE A  47
ASP A  90
ILE A  67
THR A  20
 None
 1.37A 1kijA-5b69A:
undetectable		 1kijA-5b69A:
21.67
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		6 ASP A 182
GLU A 146
ARG A 381
ILE A 185
ILE A 193
THR A 147
 None
 1.50A 1kijA-5do7A:
undetectable		 1kijA-5do7A:
20.83
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.
5es9 LINEAR GRAMICIDIN
SYNTHETASE SUBUNIT A

(Brevibacillus
parabrevis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00551
(Formyl_trans_N)
PF13193
(AMP-binding_C) 		5 ASP A  58
ARG A  64
ILE A  48
ASP A  46
ARG A  68
 None
 1.44A 1kijA-5es9A:
undetectable		 1kijA-5es9A:
19.75
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.
5idm CELL CYCLE HISTIDINE
KINASE CCKA

(Caulobacter
vibrioides) 		PF02518
(HATPase_c) 		5 ASP A 437
ASP A 479
ILE A 484
PRO A 485
ASP A 487
 None
ANP  A 601 (-3.5A)
ANP  A 601 (-4.5A)
None
None
 1.03A 1kijA-5idmA:
6.6		 1kijA-5idmA:
20.26
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.
5idm CELL CYCLE HISTIDINE
KINASE CCKA

(Caulobacter
vibrioides) 		PF02518
(HATPase_c) 		5 ASP A 479
ILE A 484
PRO A 485
ASP A 487
ILE A 492
 ANP  A 601 (-3.5A)
ANP  A 601 (-4.5A)
None
None
ANP  A 601 ( 4.0A)
 1.13A 1kijA-5idmA:
6.6		 1kijA-5idmA:
20.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j5p DNA TOPOISOMERASE 4
SUBUNIT B

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		8 ASP A  54
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
ARG A 140
THR A 172
 None
ANP  A 501 (-3.2A)
ANP  A 501 (-2.6A)
None
None
ANP  A 501 ( 3.4A)
None
ANP  A 501 (-3.5A)
 0.62A 1kijA-5j5pA:
45.6		 1kijA-5j5pA:
46.53
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.
5jc8 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 ASP A  45
ARG A  28
ILE A  20
PRO A 200
ASP A 203
 None
None
None
MG  A 307 (-3.8A)
None
 1.45A 1kijA-5jc8A:
undetectable		 1kijA-5jc8A:
24.81
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.
5mux 2-METHYLCITRATE
DEHYDRATASE

(Bacillus
subtilis) 		no annotation 5 GLU A  24
ARG A 418
ASP A  95
ILE A 141
THR A  27
 None
 1.44A 1kijA-5muxA:
undetectable		 1kijA-5muxA:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ol6 NUCLEIC ACID
BINDING, OB-FOLD,
TRNA/HELICASE-TYPE,D
NA-DIRECTED DNA
POLYMERASE

(Nostoc
punctiforme) 		no annotation 5 ASP A 120
ILE A 129
PRO A 125
ASP A 113
THR A 118
 None
 1.23A 1kijA-5ol6A:
undetectable		 1kijA-5ol6A:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 ASP A 411
GLU A  75
ASP A  76
ILE A  88
THR A  72
 None
 1.38A 1kijA-5um6A:
undetectable		 1kijA-5um6A:
18.25
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 ASP A1824
ILE A1882
PRO A1883
ILE A1867
THR A1813
 None
 1.12A 1kijA-5y29A:
undetectable		 1kijA-5y29A:
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.
6bk7 ELONGATION FACTOR G

(Enterococcus
faecalis) 		no annotation 5 GLU A  91
ASP A  87
ILE A  90
ILE A 400
THR A  89
 None
 1.35A 1kijA-6bk7A:
undetectable		 1kijA-6bk7A:
12.34