SIMILAR PATTERNS OF AMINO ACIDS FOR 1KIJ_B_NOVB444_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) 		8 ASN A  46
GLU A  50
ASP A  73
ARG A  76
ILE A  78
PRO A  79
ILE A  94
THR A 165
 NOV  A   1 (-4.0A)
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)
 0.42A 1kijB-1aj6A:
28.2		 1kijB-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 ASN A  33
ASP A  58
ILE A  63
ASP A  66
THR A 143
 MG  A 701 ( 2.5A)
ANP  A 380 (-3.6A)
ANP  A 380 (-4.5A)
None
ANP  A 380 (-3.7A)
 0.94A 1kijB-1b63A:
19.4		 1kijB-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.
1i5a CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c) 		5 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 MN  A 996 ( 2.8A)
ACP  A 998 (-3.7A)
None
ACP  A 998 (-4.3A)
ACP  A 998 (-3.8A)
 0.94A 1kijB-1i5aA:
5.7		 1kijB-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.
1id0 PHOQ HISTIDINE
KINASE

(Escherichia
coli) 		PF02518
(HATPase_c) 		5 ASN A 389
ASP A 415
ILE A 420
PRO A 421
ILE A 428
 ANP  A 487 (-3.0A)
ANP  A 487 (-3.7A)
ANP  A 487 (-4.7A)
None
ANP  A 487 (-3.7A)
 0.78A 1kijB-1id0A:
6.6		 1kijB-1id0A:
19.14
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.
1jmc PROTEIN (REPLICATION
PROTEIN A (RPA))

(Homo sapiens) 		PF01336
(tRNA_anti-codon)
PF16900
(REPA_OB_2) 		5 GLU A 225
ILE A 233
ASP A 275
ILE A 187
ALA A 201
 None
 1.07A 1kijB-1jmcA:
undetectable		 1kijB-1jmcA:
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.
1nne DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 GLU A 613
ARG A 554
ILE A 553
ILE A 599
ALA A 603
 None
 1.25A 1kijB-1nneA:
undetectable		 1kijB-1nneA:
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT

(Propionibacterium
freudenreichii) 		PF01039
(Carboxyl_trans) 		5 ILE A 300
ILE A 297
ALA A 333
ARG A 497
THR A 496
 None
 1.03A 1kijB-1on9A:
undetectable		 1kijB-1on9A:
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.
1oyp RIBONUCLEASE PH

(Bacillus
subtilis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ILE A 141
PRO A 154
ASP A 103
ILE A 112
ALA A  41
 None
 1.27A 1kijB-1oypA:
2.7		 1kijB-1oypA:
22.53
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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ASN A  70
ILE A 104
PRO A 105
ALA A 146
THR A 195
 MG  A 903 ( 2.6A)
ANP  A 901 (-4.9A)
None
ANP  A 901 (-3.3A)
ANP  A 901 ( 4.2A)
 0.81A 1kijB-1pvgA:
28.8		 1kijB-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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ASN A  70
ILE A 104
PRO A 105
ILE A 120
THR A 195
 MG  A 903 ( 2.6A)
ANP  A 901 (-4.9A)
None
ANP  A 901 (-3.8A)
ANP  A 901 ( 4.2A)
 0.79A 1kijB-1pvgA:
28.8		 1kijB-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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ASN A 434
GLU A 430
ARG A 450
PRO A 426
ALA A 390
 None
None
None
None
HEM  A 754 ( 4.8A)
 1.09A 1kijB-1qf7A:
undetectable		 1kijB-1qf7A:
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.
1r0l 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Zymomonas
mobilis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ILE A 270
ASP A 265
ILE A  16
ALA A 100
THR A 273
 None
 1.25A 1kijB-1r0lA:
undetectable		 1kijB-1r0lA:
22.35
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.
1s14 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		9 ASN A1042
GLU A1046
ASP A1069
ARG A1072
PRO A1075
ASP A1077
ILE A1090
ARG A1132
THR A1163
 NOV  A1300 (-3.7A)
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)
 0.38A 1kijB-1s14A:
24.5		 1kijB-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 ASN A1042
GLU A1046
ASP A1069
ARG A1072
PRO A1075
ASP A1077
ILE A1090
ARG A1132
THR A1163
 ANP  A1500 (-3.2A)
ANP  A1500 (-3.7A)
ANP  A1500 (-3.5A)
None
None
None
ANP  A1500 ( 3.2A)
None
ANP  A1500 (-3.7A)
 0.66A 1kijB-1s16A:
41.1		 1kijB-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.
1t1s 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Escherichia
coli) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ILE A 279
ASP A 274
ILE A  12
ALA A  99
THR A 282
 None
 1.25A 1kijB-1t1sA:
undetectable		 1kijB-1t1sA:
22.76
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.
1t8h YLMD PROTEIN
SEQUENCE HOMOLOGUE

(Geobacillus
stearothermophilus) 		PF02578
(Cu-oxidase_4) 		5 GLU A 220
ASP A 217
ILE A 175
ILE A 128
ALA A 143
 None
 0.87A 1kijB-1t8hA:
undetectable		 1kijB-1t8hA:
22.46
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.
1tid ANTI-SIGMA F FACTOR

(Geobacillus
stearothermophilus) 		PF13581
(HATPase_c_2) 		5 ASN A  50
ASP A  81
ILE A  86
PRO A  87
THR A 130
 ATP  A 200 ( 2.8A)
ATP  A 200 (-4.0A)
ATP  A 200 (-4.2A)
None
ATP  A 200 (-3.4A)
 0.77A 1kijB-1tidA:
6.8		 1kijB-1tidA:
15.58
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.
1tuh HYPOTHETICAL PROTEIN
EGC068

(uncultured
bacterium) 		PF12680
(SnoaL_2) 		5 ASN A 107
ILE A 122
ASP A 133
TYR A  32
ALA A  88
 None
 1.28A 1kijB-1tuhA:
undetectable		 1kijB-1tuhA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u8w NUCLEOSIDE
DIPHOSPHATE KINASE I

(Arabidopsis
thaliana) 		PF00334
(NDK) 		5 GLU A  76
ILE A  74
PRO A 135
ILE A 127
ALA A 123
 None
 1.25A 1kijB-1u8wA:
undetectable		 1kijB-1u8wA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp8 RECA PROTEIN

(Deinococcus
radiodurans) 		PF00154
(RecA) 		5 ASP A  60
ILE A  68
PRO A  69
ILE A 202
ALA A  88
 None
 1.26A 1kijB-1xp8A:
undetectable		 1kijB-1xp8A:
24.59
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.
1zxn DNA TOPOISOMERASE
II, ALPHA ISOZYME

(Homo sapiens) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ASN A  91
ILE A 125
PRO A 126
ILE A 141
THR A 215
 MG  A 900 ( 2.5A)
ADP  A 901 (-4.4A)
None
ADP  A 901 (-3.7A)
ADP  A 901 ( 4.1A)
 0.87A 1kijB-1zxnA:
27.2		 1kijB-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.
2czc GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		5 ILE A 260
ASP A 265
ILE A 259
ALA A 295
ARG A 264
 None
 1.06A 1kijB-2czcA:
undetectable		 1kijB-2czcA:
23.56
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.
2f9r SPHINGOMYELINASE D 1

(Loxosceles
laeta) 		no annotation 5 ILE A  20
PRO A  21
ASP A  25
ALA A  33
THR A  69
 None
 1.25A 1kijB-2f9rA:
undetectable		 1kijB-2f9rA:
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.
2o2z HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF01933
(UPF0052) 		5 GLU A 135
ARG A 157
ILE A 155
ILE A 148
ALA A 151
 None
 1.24A 1kijB-2o2zA:
undetectable		 1kijB-2o2zA:
22.95
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.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ASN A  76
GLU A 251
ILE A 155
ASP A 126
ALA A  78
 None
 1.15A 1kijB-2p2mA:
undetectable		 1kijB-2p2mA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 1kijB-2pl1A:
undetectable		 1kijB-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.
2py6 METHYLTRANSFERASE
FKBM

(Methylobacillus
flagellatus) 		PF05050
(Methyltransf_21) 		5 ASP A 328
ILE A 357
ASP A 388
ILE A 382
TYR A 381
 None
 1.29A 1kijB-2py6A:
undetectable		 1kijB-2py6A:
21.61
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.
2w0m SSO2452

(Sulfolobus
solfataricus) 		PF06745
(ATPase) 		5 ASP A  13
ILE A  20
PRO A  21
ILE A  26
TYR A 162
 None
 0.77A 1kijB-2w0mA:
undetectable		 1kijB-2w0mA:
20.05
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.
2w0m SSO2452

(Sulfolobus
solfataricus) 		PF06745
(ATPase) 		5 ILE A  20
PRO A  21
ILE A  26
TYR A 162
ARG A   4
 None
 0.99A 1kijB-2w0mA:
undetectable		 1kijB-2w0mA:
20.05
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ASN X 188
GLU X 187
ILE X 115
TYR X 116
ALA X 125
 None
 1.26A 1kijB-2y9eX:
undetectable		 1kijB-2y9eX:
21.58
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.
2yew E2 ENVELOPE
GLYCOPROTEIN

(Barmah Forest
virus) 		PF00943
(Alpha_E2_glycop) 		5 ILE C 148
PRO C 149
ASP C 261
ILE C 133
THR C 146
 None
 1.28A 1kijB-2yewC:
undetectable		 1kijB-2yewC:
22.41
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.
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
 1.28A 1kijB-3bt6A:
undetectable		 1kijB-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.
3dr5 PUTATIVE
O-METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13578
(Methyltransf_24) 		5 ILE A 190
ASP A 185
ILE A 193
ALA A 196
THR A 208
 None
 1.09A 1kijB-3dr5A:
undetectable		 1kijB-3dr5A:
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.
3fv5 DNA TOPOISOMERASE 4
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		9 ASN A  42
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 (-4.9A)
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)
 0.91A 1kijB-3fv5A:
27.6		 1kijB-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.
3fxd PROTEIN ICMQ
PROTEIN ICMR

(Legionella
pneumophila) 		PF09475
(Dot_icm_IcmQ)
no annotation 		5 GLU B  40
ARG A  45
ILE B  41
ILE A  13
ALA B  83
 None
 1.16A 1kijB-3fxdB:
undetectable		 1kijB-3fxdB:
12.06
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.
3htz ALANYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF01411
(tRNA-synt_2c) 		5 ASP A 271
ILE A 298
ILE A 295
ALA A 279
THR A  88
 None
 1.29A 1kijB-3htzA:
undetectable		 1kijB-3htzA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvd LIPOPROTEIN

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 ILE D 291
ILE D 235
TYR D 217
ALA D 215
THR D 204
 None
 1.27A 1kijB-3kvdD:
undetectable		 1kijB-3kvdD:
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.
3lic SENSOR PROTEIN

(Shewanella
oneidensis) 		PF02743
(dCache_1) 		5 ILE A 111
ASP A 139
ILE A  86
ALA A  81
THR A 197
 None
 1.21A 1kijB-3licA:
undetectable		 1kijB-3licA:
21.18
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.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLU A 140
ASP A 141
PRO A 161
ILE A 199
ALA A 104
 None
 1.14A 1kijB-3ljpA:
undetectable		 1kijB-3ljpA:
22.81
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 ASN A  86
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 (-4.0A)
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)
 0.53A 1kijB-3lpsA:
39.2		 1kijB-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.
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 1kijB-3mtjA:
undetectable		 1kijB-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.
3mzn GLUCARATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF13378
(MR_MLE_C) 		5 ILE A 366
ASP A 168
ILE A 380
ALA A 143
ARG A 174
 None
None
GOL  A 451 (-4.5A)
None
None
 1.22A 1kijB-3mznA:
undetectable		 1kijB-3mznA:
22.76
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLU A 270
ASP A 273
ILE A 266
ALA A 196
THR A 122
 None
 1.00A 1kijB-3nvlA:
undetectable		 1kijB-3nvlA:
22.76
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.
3nx4 PUTATIVE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A 180
ASP A 199
ILE A 195
ALA A 192
ARG A 198
 NAP  A 330 (-4.0A)
None
None
None
NAP  A 330 (-3.6A)
 1.19A 1kijB-3nx4A:
undetectable		 1kijB-3nx4A:
24.21
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.
3o6x GLUTAMINE SYNTHETASE

(Bacteroides
fragilis) 		PF00120
(Gln-synt_C)
PF12437
(GSIII_N) 		5 ILE A 705
ASP A 231
ILE A 615
ALA A 619
ARG A 702
 None
 1.25A 1kijB-3o6xA:
undetectable		 1kijB-3o6xA:
20.60
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.
3psi TRANSCRIPTION
ELONGATION FACTOR
SPT6

(Saccharomyces
cerevisiae) 		PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD) 		5 ASP A1111
ILE A 739
PRO A 740
ASP A 838
ILE A 747
 None
 1.28A 1kijB-3psiA:
undetectable		 1kijB-3psiA:
15.18
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.
3ren GLYCOSYL HYDROLASE,
FAMILY 8

(Clostridium
perfringens) 		PF01270
(Glyco_hydro_8) 		5 ASP A 196
ARG A 139
ILE A 141
ILE A 163
THR A 199
 None
 1.28A 1kijB-3renA:
undetectable		 1kijB-3renA:
21.05
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.
3sl2 SENSOR HISTIDINE
KINASE YYCG

(Bacillus
subtilis) 		PF02518
(HATPase_c) 		5 ASN A 503
ASP A 533
ILE A 538
PRO A 539
THR A 592
 MG  A 701 ( 2.5A)
ATP  A 703 (-3.5A)
ATP  A 703 (-4.5A)
None
ATP  A 703 (-3.9A)
 0.76A 1kijB-3sl2A:
undetectable		 1kijB-3sl2A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		5 ASN A 139
ILE A 169
PRO A 170
ILE A 234
ALA A 198
 None
None
EDO  A 610 (-3.8A)
None
None
 1.27A 1kijB-3u24A:
undetectable		 1kijB-3u24A:
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.
3u2k DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		10 ASN A  54
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
 087  A   1 (-3.9A)
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)
 0.61A 1kijB-3u2kA:
27.2		 1kijB-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.
3vse PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10672
(Methyltrans_SAM) 		5 GLU A  23
ARG A  55
ILE A  21
ILE A  40
TYR A  14
 None
 1.01A 1kijB-3vseA:
undetectable		 1kijB-3vseA:
23.73
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.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		5 GLU A 356
ARG A 396
ILE A 394
ILE A 389
ALA A 385
 None
 1.10A 1kijB-3wfzA:
undetectable		 1kijB-3wfzA:
20.68
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.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 ASP B 312
ILE B 229
TYR B 213
ALA B 209
ARG B 251
 None
 1.24A 1kijB-3zg8B:
undetectable		 1kijB-3zg8B:
22.03
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 ASN A  52
GLU A  56
ASP A  79
ARG A  82
ILE A  84
PRO A  85
ARG A 141
 ANP  A 601 ( 2.6A)
ANP  A 601 (-3.9A)
ANP  A 601 (-3.7A)
None
ANP  A 601 (-4.3A)
None
None
 0.71A 1kijB-3zkbA:
44.3		 1kijB-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.
4aj9 CATALASE-3

(Neurospora
crassa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 GLU A 317
ARG A 252
ILE A 315
TYR A 323
ALA A 322
 1PE  A1719 (-3.6A)
1PE  A1719 ( 4.6A)
None
None
None
 1.00A 1kijB-4aj9A:
undetectable		 1kijB-4aj9A:
21.13
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 ASN A  52
GLU A  56
ASP A  79
ARG A  82
ILE A  84
PRO A  85
ARG A 141
THR A 169
 B5U  A1256 (-3.2A)
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)
 0.54A 1kijB-4b6cA:
22.9		 1kijB-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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 224
PRO A 225
ILE A  69
ALA A  63
ARG A 214
 None
 1.25A 1kijB-4c23A:
undetectable		 1kijB-4c23A:
24.25
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 ASN A  51
GLU A  55
ASP A  78
ARG A  81
ILE A  98
ARG A 140
THR A 172
 0RA  A 301 (-4.7A)
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)
 0.49A 1kijB-4em7A:
29.3		 1kijB-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 ASN A  51
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
THR A 172
 0RA  A 301 (-4.7A)
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)
 0.71A 1kijB-4em7A:
29.3		 1kijB-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.
4f6c AUSA REDUCTASE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		PF07993
(NAD_binding_4) 		5 ARG A2070
ILE A2071
ILE A2061
ALA A2052
THR A2047
 None
 1.14A 1kijB-4f6cA:
undetectable		 1kijB-4f6cA:
20.76
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 ASN A  70
ILE A 104
PRO A 105
ILE A 120
THR A 195
 ANP  A1202 ( 2.7A)
None
None
ANP  A1202 (-3.8A)
ANP  A1202 (-3.4A)
 0.82A 1kijB-4gfhA:
28.5		 1kijB-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 ASN A  55
GLU A  59
ASP A  82
ARG A  85
ILE A  87
PRO A  88
THR A 174
 1A0  A 301 (-3.8A)
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)
 0.54A 1kijB-4hxwA:
28.8		 1kijB-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 ASN A  41
GLU A  45
ASP A  68
ARG A  71
ASP A  76
ILE A  89
ARG A 131
THR A 162
 CJC  A 401 (-4.0A)
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)
 0.76A 1kijB-4hymA:
37.1		 1kijB-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 ASN A  41
GLU A  45
ASP A  68
PRO A  74
ASP A  76
ARG A 131
THR A 162
 CJC  A 401 (-4.0A)
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)
 1.04A 1kijB-4hymA:
37.1		 1kijB-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) 		9 ASN A  49
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
ALA A 122
ARG A 138
THR A 169
 19Y  A 301 (-3.8A)
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 ( 4.1A)
19Y  A 301 ( 4.8A)
19Y  A 301 (-3.7A)
 0.58A 1kijB-4hz5A:
28.2		 1kijB-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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLU A 203
ASP A 581
ARG A 162
TYR A 683
ALA A 211
 None
None
BGC  A 901 (-3.0A)
None
None
 1.14A 1kijB-4i3gA:
undetectable		 1kijB-4i3gA:
19.59
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.
4i3r HEAVY CHAIN OF
VRC-PG04 FAB

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ASP H  62
ILE H  82
ILE H 109
TYR H  90
ALA H  88
 None
 1.12A 1kijB-4i3rH:
undetectable		 1kijB-4i3rH:
18.75
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.
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
 1.23A 1kijB-4idtA:
undetectable		 1kijB-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.
4jas HISTIDINE KINASE

(Thermotoga
maritima) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 ASN A 380
ASP A 411
ILE A 416
PRO A 417
ILE A 424
 ADP  A 501 ( 2.7A)
ADP  A 501 (-3.4A)
ADP  A 501 (-4.6A)
None
ADP  A 501 (-3.7A)
 1.23A 1kijB-4jasA:
5.9		 1kijB-4jasA:
21.61
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.
4jzy CRYPTOCHROME-1

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 ASN A 505
ASP A 364
ILE A 496
ALA A 501
THR A 438
 None
 1.21A 1kijB-4jzyA:
undetectable		 1kijB-4jzyA:
21.56
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.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ILE A 118
PRO A 119
ILE A  98
ALA A 130
THR A 141
 None
 1.25A 1kijB-4mo9A:
undetectable		 1kijB-4mo9A:
21.50
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.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		5 GLU A 374
ARG A 372
ILE A 396
PRO A 397
ILE A  84
 2QH  A 602 ( 4.8A)
None
None
None
None
 1.14A 1kijB-4ny4A:
undetectable		 1kijB-4ny4A:
20.99
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.
4py5 RIBONUCLEASE

(Thermovibrio
ammonificans) 		PF01351
(RNase_HII) 		5 ARG A 103
ILE A 127
ILE A 216
ALA A 220
THR A 128
 None
 1.25A 1kijB-4py5A:
undetectable		 1kijB-4py5A:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 ASN A 250
ARG A 285
ILE A 287
PRO A 288
THR A 324
 MG  A 401 ( 2.4A)
None
ANP  A 402 (-4.3A)
ANP  A 402 ( 4.4A)
ANP  A 402 (-3.6A)
 1.19A 1kijB-4r39A:
4.6		 1kijB-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 ASN A 250
ASP A 282
ILE A 287
PRO A 288
THR A 324
 MG  A 401 ( 2.4A)
ANP  A 402 (-2.7A)
ANP  A 402 (-4.3A)
ANP  A 402 ( 4.4A)
ANP  A 402 (-3.6A)
 0.95A 1kijB-4r39A:
4.6		 1kijB-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)
 1.00A 1kijB-4r39A:
4.6		 1kijB-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 ASN A 250
ARG A 285
ILE A 287
PRO A 288
THR A 324
 MG  A 400 ( 2.5A)
None
ANP  A 401 (-4.3A)
ANP  A 401 ( 4.7A)
ANP  A 401 ( 4.1A)
 1.12A 1kijB-4r3aA:
3.8		 1kijB-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.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ASN A 250
ASP A 282
ILE A 287
PRO A 288
THR A 324
 MG  A 400 ( 2.5A)
ANP  A 401 (-3.3A)
ANP  A 401 (-4.3A)
ANP  A 401 ( 4.7A)
ANP  A 401 ( 4.1A)
 0.97A 1kijB-4r3aA:
3.8		 1kijB-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.
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)
 1.16A 1kijB-4r3aA:
3.8		 1kijB-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.
4ryb 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Neisseria
meningitidis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 291
ILE A 296
TYR A 320
ARG A 292
THR A   9
 None
 1.21A 1kijB-4rybA:
undetectable		 1kijB-4rybA:
22.81
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 GLU A 273
ARG A 219
ASP A 128
ILE A 174
ALA A 190
 None
None
ATP  A 801 (-2.6A)
None
None
 1.10A 1kijB-4u1rA:
undetectable		 1kijB-4u1rA:
20.81
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 ASN A  49
GLU A  53
ASP A  76
ARG A  79
ALA A 122
ARG A 138
THR A 168
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
XAM  A2000 ( 4.3A)
None
XAM  A2000 (-3.6A)
 0.71A 1kijB-4urlA:
44.2		 1kijB-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) 		8 ASN A  49
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
ALA A 122
THR A 168
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
XAM  A2000 (-4.8A)
None
XAM  A2000 ( 4.3A)
XAM  A2000 (-3.6A)
 0.79A 1kijB-4urlA:
44.2		 1kijB-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) 		9 ASN A  54
GLU A  58
ASP A  81
ARG A  84
ILE A  86
PRO A  87
ASP A  89
ILE A 102
THR A 173
 XAM  A2000 (-3.7A)
XAM  A2000 (-2.6A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.6A)
XAM  A2000 (-4.5A)
XAM  A2000 ( 4.9A)
None
XAM  A2000 (-4.5A)
XAM  A2000 (-3.8A)
 0.92A 1kijB-4urmA:
29.0		 1kijB-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 ASN A  54
GLU A  58
ASP A  81
ARG A  84
ILE A  86
PRO A  87
ILE A 102
ARG A 144
THR A 173
 XAM  A2000 (-3.7A)
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)
 0.58A 1kijB-4urmA:
29.0		 1kijB-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) 		9 ASN A  49
GLU A  53
ASP A  76
ARG A  79
PRO A  82
ILE A  96
ALA A 122
ARG A 138
THR A 168
 NOV  A2000 (-3.8A)
NOV  A2000 (-3.4A)
NOV  A2000 (-3.5A)
NOV  A2000 (-3.2A)
NOV  A2000 (-4.1A)
NOV  A2000 (-4.2A)
NOV  A2000 ( 4.6A)
NOV  A2000 (-2.9A)
NOV  A2000 (-3.9A)
 0.78A 1kijB-4urnA:
28.2		 1kijB-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.
4xiv CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		5 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 ACP  A 601 (-2.9A)
ACP  A 601 (-3.8A)
None
ACP  A 601 ( 4.6A)
ACP  A 601 (-3.9A)
 0.88A 1kijB-4xivA:
5.6		 1kijB-4xivA:
21.91
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 ASN A  46
GLU A  50
ASP A  73
ARG A  76
ILE A  78
PRO A  79
ILE A  94
ARG A 136
THR A 165
 4S4  A 401 (-4.3A)
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)
 0.48A 1kijB-4zviA:
42.4		 1kijB-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.
5d2j 4-OXALOCROTONATE
DECARBOXYLASE NAHK

(Pseudomonas
putida) 		no annotation 5 GLU A 109
ILE A 237
ILE A 112
TYR A 253
THR A 238
 MG  A 301 ( 2.8A)
None
None
None
None
 1.28A 1kijB-5d2jA:
undetectable		 1kijB-5d2jA:
22.34
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.
5idj CELL CYCLE HISTIDINE
KINASE CCKA

(Caulobacter
vibrioides) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 ASN A 434
ASP A 479
ILE A 484
PRO A 485
ASP A 487
 ADP  A 600 ( 2.9A)
ADP  A 600 (-3.3A)
ADP  A 600 (-4.5A)
None
None
 1.25A 1kijB-5idjA:
6.6		 1kijB-5idjA:
23.08
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.
5idj CELL CYCLE HISTIDINE
KINASE CCKA

(Caulobacter
vibrioides) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 ASN A 434
ASP A 479
ILE A 484
PRO A 485
ILE A 492
 ADP  A 600 ( 2.9A)
ADP  A 600 (-3.3A)
ADP  A 600 (-4.5A)
None
ADP  A 600 (-4.3A)
 1.14A 1kijB-5idjA:
6.6		 1kijB-5idjA:
23.08
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.
5idm CELL CYCLE HISTIDINE
KINASE CCKA

(Caulobacter
vibrioides) 		PF02518
(HATPase_c) 		6 ASN A 434
ASP A 479
ILE A 484
PRO A 485
ASP A 487
ILE A 492
 MG  A 602 ( 2.6A)
ANP  A 601 (-3.5A)
ANP  A 601 (-4.5A)
None
None
ANP  A 601 ( 4.0A)
 1.32A 1kijB-5idmA:
6.6		 1kijB-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 ASN A  51
GLU A  55
ASP A  78
ARG A  81
PRO A  84
ILE A  98
ARG A 140
THR A 172
 MG  A 503 ( 2.5A)
ANP  A 501 (-3.2A)
ANP  A 501 (-2.6A)
None
None
ANP  A 501 ( 3.4A)
None
ANP  A 501 (-3.5A)
 0.71A 1kijB-5j5pA:
46.0		 1kijB-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.
5ks1 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Vibrio
vulnificus) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ILE A 280
ASP A 275
ILE A  13
ALA A 100
THR A 283
 None
 1.17A 1kijB-5ks1A:
2.7		 1kijB-5ks1A:
24.29
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.
5tgd FOLM ALTERNATIVE
DIHYDROFOLATE
REDUCTASE

(Brucella suis) 		PF00106
(adh_short) 		5 GLU A 228
ASP A 155
ILE A  32
ALA A  35
THR A 232
 None
NAP  A 301 ( 3.8A)
NAP  A 301 (-3.7A)
None
None
 1.28A 1kijB-5tgdA:
undetectable		 1kijB-5tgdA:
24.38
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 5 GLU A 161
ASP A 420
ARG A 120
TYR A 520
ALA A 169
 None
None
GOL  A 801 (-3.6A)
None
None
 1.09A 1kijB-5wabA:
undetectable		 1kijB-5wabA:
12.31
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.
6at7 PHENYLALANINE
AMMONIA-LYASE

(Sorghum bicolor) 		no annotation 5 ASP A 192
ILE A 392
PRO A 391
ILE A 361
ALA A 257
 MDO  A 190 ( 4.4A)
None
None
None
None
 1.14A 1kijB-6at7A:
undetectable		 1kijB-6at7A:
13.21
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.
6fth EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		no annotation 5 ILE A 257
PRO A 258
ASP A 260
ILE A 191
TYR A 248
 None
 1.16A 1kijB-6fthA:
undetectable		 1kijB-6fthA:
13.37
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.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Mus musculus) 		no annotation 5 ASN N 197
ILE N 265
PRO N 262
ILE N 344
THR N 268
 None
 1.18A 1kijB-6g72N:
undetectable		 1kijB-6g72N:
11.11