SIMILAR PATTERNS OF AMINO ACIDS FOR 1KVL_A_CLSA371_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c4x PROTEIN
(2-HYDROXY-6-OXO-6-P
HENYLHEXA-2,4-DIENOA
TE HYDROLASE)


(Rhodococcus
jostii)
PF12697
(Abhydrolase_6)
5 GLY A 112
GLN A 266
ASN A  46
THR A 116
GLY A 113
None
1.09A 1kvlA-1c4xA:
undetectable
1kvlA-1c4xA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hdi PHOSPHOGLYCERATE
KINASE


(Sus scrofa)
PF00162
(PGK)
5 GLY A 372
LEU A 402
ASN A 336
THR A 393
GLY A 394
None
1.31A 1kvlA-1hdiA:
undetectable
1kvlA-1hdiA:
22.93
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.
1i8q HYALURONATE LYASE

(Streptococcus
agalactiae)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N)
5 GLY A 265
GLN A 329
ASN A 332
TYR A 269
THR A 263
None
1.31A 1kvlA-1i8qA:
undetectable
1kvlA-1i8qA:
18.74
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.
1kag SHIKIMATE KINASE I

(Escherichia
coli)
PF01202
(SKI)
5 GLY A  82
LEU A 143
TYR A 144
THR A  80
GLY A  81
None
1.22A 1kvlA-1kagA:
undetectable
1kvlA-1kagA:
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.
1pvx PROTEIN
(ENDO-1,4-BETA-XYLAN
ASE)


(Byssochlamys
spectabilis)
PF00457
(Glyco_hydro_11)
5 GLY A  48
ASN A  29
TYR A  15
THR A 177
GLY A  47
None
0.94A 1kvlA-1pvxA:
undetectable
1kvlA-1pvxA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rgy BETA-LACTAMASE

(Citrobacter
freundii)
PF00144
(Beta-lactamase)
6 GLY A  63
GLN A 120
ASN A 152
TYR A 221
THR A 316
GLY A 317
PTX  A 400 ( 3.9A)
PTX  A 400 ( 3.1A)
PTX  A 400 (-3.6A)
PTX  A 400 (-3.7A)
None
PTX  A 400 (-3.3A)
1.22A 1kvlA-1rgyA:
62.5
1kvlA-1rgyA:
76.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rgy BETA-LACTAMASE

(Citrobacter
freundii)
PF00144
(Beta-lactamase)
8 LEU A 119
GLN A 120
TYR A 150
ASN A 152
TYR A 221
LYS A 315
THR A 316
GLY A 317
None
PTX  A 400 ( 3.1A)
PTX  A 400 (-4.7A)
PTX  A 400 (-3.6A)
PTX  A 400 (-3.7A)
PTX  A 400 ( 4.5A)
None
PTX  A 400 (-3.3A)
0.27A 1kvlA-1rgyA:
62.5
1kvlA-1rgyA:
76.94
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.
1rlm PHOSPHATASE

(Escherichia
coli)
PF08282
(Hydrolase_3)
5 LEU A  51
GLN A  50
ASN A  46
THR A  13
GLY A  12
None
None
GOL  A 804 (-4.2A)
None
MG  A 800 ( 4.5A)
1.30A 1kvlA-1rlmA:
undetectable
1kvlA-1rlmA:
23.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae)
PF00144
(Beta-lactamase)
8 LEU A 119
GLN A 120
TYR A 150
ASN A 152
TYR A 221
LYS A 315
THR A 316
GLY A 317
None
IAP  A   1 (-2.8A)
None
IAP  A   1 (-2.9A)
IAP  A   1 ( 3.9A)
IAP  A   1 ( 4.9A)
None
IAP  A   1 (-3.8A)
0.60A 1kvlA-1s6rA:
59.9
1kvlA-1s6rA:
69.64
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.
1shk SHIKIMATE KINASE

(Dickeya
chrysanthemi)
PF01202
(SKI)
5 GLY A  79
LEU A 142
TYR A 143
THR A  77
GLY A  78
None
1.34A 1kvlA-1shkA:
undetectable
1kvlA-1shkA:
20.39
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT


(Pseudomonas
putida)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
5 GLY B 324
LEU B 161
ASN B 158
TYR B 326
GLY B 323
None
1.33A 1kvlA-1t3qB:
undetectable
1kvlA-1t3qB:
18.89
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.
1t61 TYPE IV COLLAGEN

(Bos taurus)
PF01413
(C4)
5 GLY A 162
LEU A  83
GLN A  13
THR A  49
GLY A  48
None
1.33A 1kvlA-1t61A:
undetectable
1kvlA-1t61A:
18.61
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.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE


(Synechococcus
elongatus)
PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7)
5 GLY A 141
GLN A 159
TYR A 146
ASN A 155
GLY A 143
None
1.25A 1kvlA-1tezA:
undetectable
1kvlA-1tezA:
22.85
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.
1vjn ZN-DEPENDENT
HYDROLASE OF
METALLO-BETA-LACTAMA
SE SUPERFAMILY
TM0207


(Thermotoga
maritima)
PF13483
(Lactamase_B_3)
5 GLY A 135
LEU A 167
TYR A 162
THR A 137
GLY A 136
None
1.37A 1kvlA-1vjnA:
undetectable
1kvlA-1vjnA:
19.23
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.
1yna ENDO-1,4-BETA-XYLANA
SE


(Thermomyces
lanuginosus)
PF00457
(Glyco_hydro_11)
5 GLY A  48
ASN A  29
TYR A  15
THR A 177
GLY A  47
None
0.95A 1kvlA-1ynaA:
undetectable
1kvlA-1ynaA:
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.
1yq6 MINOR CAPSID PROTEIN

(Salmonella
virus PRD1)
PF08949
(DUF1860)
5 GLY A 213
LEU A 320
TYR A 330
THR A 211
GLY A 212
None
1.14A 1kvlA-1yq6A:
undetectable
1kvlA-1yq6A:
18.59
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.
1z69 COENZYME
F420-DEPENDENT
N(5),N(10)-METHYLENE
TETRAHYDROMETHANOPTE
RIN REDUCTASE


(Methanosarcina
barkeri)
PF00296
(Bac_luciferase)
5 GLY A  61
GLN A 302
TYR A 209
TYR A 154
THR A  34
None
None
F42  A 328 ( 4.0A)
None
F42  A 328 (-4.1A)
1.22A 1kvlA-1z69A:
undetectable
1kvlA-1z69A:
21.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE


(Klebsiella
aerogenes)
PF00144
(Beta-lactamase)
6 GLY A  64
GLN A 121
ASN A 153
TYR A 223
THR A 313
GLY A 314
None
1.21A 1kvlA-1zkjA:
53.5
1kvlA-1zkjA:
42.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE


(Klebsiella
aerogenes)
PF00144
(Beta-lactamase)
7 LEU A 120
GLN A 121
ASN A 153
TYR A 223
LYS A 312
THR A 313
GLY A 314
None
0.33A 1kvlA-1zkjA:
53.5
1kvlA-1zkjA:
42.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE


(Klebsiella
aerogenes)
PF00144
(Beta-lactamase)
6 LEU A 120
TYR A 151
ASN A 153
TYR A 223
THR A 313
GLY A 314
None
0.74A 1kvlA-1zkjA:
53.5
1kvlA-1zkjA:
42.47
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT


(Gallus gallus)
PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
5 GLY A 231
LEU A 247
GLN A 534
THR A 213
GLY A 233
None
None
None
FAD  A1001 (-4.3A)
None
1.50A 1kvlA-2h88A:
undetectable
1kvlA-2h88A:
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.
2jtc STREPTOPAIN

(Streptococcus
pyogenes)
PF01640
(Peptidase_C10)
5 GLY A 243
GLN A 159
ASN A 161
TYR A 244
GLY A 190
None
1.42A 1kvlA-2jtcA:
undetectable
1kvlA-2jtcA:
22.47
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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC


(Mus musculus)
PF00162
(PGK)
5 GLY A 372
LEU A 402
ASN A 336
THR A 393
GLY A 394
None
None
ATP  A 500 (-3.6A)
None
None
1.21A 1kvlA-2paaA:
undetectable
1kvlA-2paaA:
23.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens)
PF00144
(Beta-lactamase)
6 GLN A 120
ASN A 152
TYR A 222
LYS A 315
THR A 316
GLY A 317
None
0.78A 1kvlA-2qz6A:
55.3
1kvlA-2qz6A:
49.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens)
PF00144
(Beta-lactamase)
6 GLN A 120
TYR A 150
ASN A 152
TYR A 222
THR A 316
GLY A 317
None
0.82A 1kvlA-2qz6A:
55.3
1kvlA-2qz6A:
49.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens)
PF00144
(Beta-lactamase)
6 GLY A  63
GLN A 120
ASN A 152
TYR A 222
THR A 316
GLY A 317
None
1.29A 1kvlA-2qz6A:
55.3
1kvlA-2qz6A:
49.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens)
PF00144
(Beta-lactamase)
6 GLY A  63
LEU A 119
ASN A 152
TYR A 222
THR A 316
GLY A 317
None
1.17A 1kvlA-2qz6A:
55.3
1kvlA-2qz6A:
49.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens)
PF00144
(Beta-lactamase)
6 LEU A 119
ASN A 152
TYR A 222
LYS A 315
THR A 316
GLY A 317
None
0.43A 1kvlA-2qz6A:
55.3
1kvlA-2qz6A:
49.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens)
PF00144
(Beta-lactamase)
6 LEU A 119
TYR A 150
ASN A 152
TYR A 222
THR A 316
GLY A 317
None
0.61A 1kvlA-2qz6A:
55.3
1kvlA-2qz6A:
49.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae)
PF00144
(Beta-lactamase)
7 GLY A  63
LEU A 119
GLN A 120
ASN A 152
TYR A 221
THR A 316
GLY A 317
None
1.24A 1kvlA-2zc7A:
61.4
1kvlA-2zc7A:
71.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae)
PF00144
(Beta-lactamase)
5 GLY A 317
LEU A 119
GLN A 120
TYR A 150
LYS A 315
None
1.10A 1kvlA-2zc7A:
61.4
1kvlA-2zc7A:
71.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae)
PF00144
(Beta-lactamase)
8 LEU A 119
GLN A 120
TYR A 150
ASN A 152
TYR A 221
LYS A 315
THR A 316
GLY A 317
None
0.44A 1kvlA-2zc7A:
61.4
1kvlA-2zc7A:
71.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zj9 AMPC

(Escherichia
coli)
PF00144
(Beta-lactamase)
7 GLN A 120
TYR A 150
ASN A 152
TYR A 221
LYS A 315
THR A 316
GLY A 317
None
0.31A 1kvlA-2zj9A:
62.1
1kvlA-2zj9A:
97.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zj9 AMPC

(Escherichia
coli)
PF00144
(Beta-lactamase)
6 GLY A  63
GLN A 120
ASN A 152
TYR A 221
THR A 316
GLY A 317
None
1.23A 1kvlA-2zj9A:
62.1
1kvlA-2zj9A:
97.21
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
5 GLY A 388
LEU A 409
TYR A 410
THR A 386
GLY A 387
None
1.48A 1kvlA-3a2fA:
undetectable
1kvlA-3a2fA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Corynebacterium
glutamicum)
PF00155
(Aminotran_1_2)
5 GLY A  97
LEU A 129
GLN A 103
THR A 225
GLY A 238
PMP  A 401 (-3.6A)
None
None
PMP  A 401 (-3.2A)
PMP  A 401 ( 4.5A)
1.38A 1kvlA-3cq5A:
undetectable
1kvlA-3cq5A:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fys PROTEIN DEGV

(Bacillus
subtilis)
PF02645
(DegV)
5 GLY A 262
LEU A  88
GLN A 123
THR A 267
GLY A 266
None
1.49A 1kvlA-3fysA:
undetectable
1kvlA-3fysA:
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE


(Mycobacterium
tuberculosis)
PF13561
(adh_short_C2)
5 GLY A 270
LEU A 203
GLN A 266
THR A 272
GLY A 271
None
1.50A 1kvlA-3gvcA:
undetectable
1kvlA-3gvcA:
21.69
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.
3hl0 MALEYLACETATE
REDUCTASE


(Agrobacterium
fabrum)
PF00465
(Fe-ADH)
5 GLY A 121
LEU A 220
TYR A 151
THR A 228
GLY A 227
None
1.16A 1kvlA-3hl0A:
undetectable
1kvlA-3hl0A:
23.33
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.
3hl0 MALEYLACETATE
REDUCTASE


(Agrobacterium
fabrum)
PF00465
(Fe-ADH)
5 GLY A 121
TYR A 151
TYR A 119
THR A 228
GLY A 227
None
1.30A 1kvlA-3hl0A:
undetectable
1kvlA-3hl0A:
23.33
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.
3hlk ACYL-COENZYME A
THIOESTERASE 2,
MITOCHONDRIAL


(Homo sapiens)
PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C)
5 GLY A 230
TYR A 252
TYR A 255
THR A 228
GLY A 229
None
1.41A 1kvlA-3hlkA:
undetectable
1kvlA-3hlkA:
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.
3k6k ESTERASE/LIPASE

(uncultured
bacterium)
PF07859
(Abhydrolase_3)
5 GLY A 159
GLN A 284
TYR A  85
THR A 163
GLY A 160
None
1.45A 1kvlA-3k6kA:
undetectable
1kvlA-3k6kA:
23.39
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.
3k6k ESTERASE/LIPASE

(uncultured
bacterium)
PF07859
(Abhydrolase_3)
5 GLY A 159
LEU A 102
TYR A  85
THR A 163
GLY A 160
None
1.09A 1kvlA-3k6kA:
undetectable
1kvlA-3k6kA:
23.39
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.
3l7y PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1108C


(Streptococcus
mutans)
PF08282
(Hydrolase_3)
5 LEU A  51
GLN A  50
ASN A  46
THR A  13
GLY A  12
None
None
None
None
MG  A 271 ( 4.5A)
1.21A 1kvlA-3l7yA:
undetectable
1kvlA-3l7yA:
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.
3m4e ALPHA-HEMOLYSIN

(Staphylococcus
aureus)
PF07968
(Leukocidin)
5 GLY A 192
ASN A 264
TYR A 191
THR A 268
GLY A 267
None
1.49A 1kvlA-3m4eA:
undetectable
1kvlA-3m4eA:
23.12
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.
3n2e SHIKIMATE KINASE

(Helicobacter
pylori)
PF01202
(SKI)
5 GLY A  80
LEU A 135
TYR A 136
THR A  78
GLY A  79
OSA  A1001 (-3.3A)
OSA  A1001 (-3.5A)
OSA  A1001 (-4.8A)
None
None
1.11A 1kvlA-3n2eA:
undetectable
1kvlA-3n2eA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oc5 TOXIN COREGULATED
PILUS BIOSYNTHESIS
PROTEIN F


(Vibrio cholerae)
PF06340
(TcpF)
5 LEU A 127
TYR A 121
ASN A  46
THR A 176
GLY A 175
None
1.27A 1kvlA-3oc5A:
undetectable
1kvlA-3oc5A:
22.14
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.
3oy2 GLYCOSYLTRANSFERASE
B736L


(Paramecium
bursaria
Chlorella virus
NY2A)
no annotation 5 GLY A   7
TYR A  97
ASN A  89
TYR A  16
GLY A  37
None
1.17A 1kvlA-3oy2A:
undetectable
1kvlA-3oy2A:
18.88
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))


(Marinobacter
hydrocarbonoclasticus)
PF00171
(Aldedh)
5 GLY A 285
LEU A 276
ASN A 279
THR A 387
GLY A 389
None
1.49A 1kvlA-3rh9A:
undetectable
1kvlA-3rh9A:
21.24
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.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE


(Yersinia pestis)
PF00144
(Beta-lactamase)
5 TYR A 156
ASN A 158
LYS A 299
THR A 300
GLY A 301
CIT  A 391 (-3.9A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
0.35A 1kvlA-3rjuA:
34.8
1kvlA-3rjuA:
27.06
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.
3trf SHIKIMATE KINASE

(Coxiella
burnetii)
PF01202
(SKI)
5 GLY A  83
LEU A 145
TYR A 146
THR A  81
GLY A  82
None
1.17A 1kvlA-3trfA:
undetectable
1kvlA-3trfA:
20.94
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.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE


(Acinetobacter
sp. ATCC 27244)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
5 ASN A 392
TYR A 448
LYS A 525
THR A 526
GLY A 527
None
0.84A 1kvlA-3ue3A:
15.6
1kvlA-3ue3A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II


(Ascaris suum)
PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
5 GLY A  86
LEU A 433
GLN A 156
ASN A  88
GLY A  85
FAD  A 702 (-4.3A)
None
None
None
FAD  A 702 ( 3.3A)
1.14A 1kvlA-3vrbA:
undetectable
1kvlA-3vrbA:
20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560)
PF00144
(Beta-lactamase)
7 LEU A 120
TYR A 151
ASN A 153
TYR A 223
LYS A 316
THR A 317
GLY A 318
None
0.35A 1kvlA-3wrtA:
53.2
1kvlA-3wrtA:
40.00
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.
4ezi UNCHARACTERIZED
PROTEIN


(Legionella
pneumophila)
no annotation 5 GLY A 197
LEU A 385
TYR A 105
THR A 201
GLY A 198
None
1.27A 1kvlA-4eziA:
undetectable
1kvlA-4eziA:
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.
4g7f ENOLASE

(Trypanosoma
cruzi)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 GLY A 387
LEU A 410
TYR A 129
THR A 390
GLY A 389
None
None
EDO  A 502 ( 4.3A)
None
None
1.16A 1kvlA-4g7fA:
undetectable
1kvlA-4g7fA:
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.
4i3f SERINE HYDROLASE
CCSP0084


(Cycloclasticus
sp. P1)
PF12697
(Abhydrolase_6)
5 GLY A 106
GLN A 261
ASN A  41
THR A 110
GLY A 107
None
None
CL  A 301 (-3.3A)
None
None
0.99A 1kvlA-4i3fA:
undetectable
1kvlA-4i3fA:
21.41
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.
4jrn RHOPTRY KINASE
FAMILY PROTEIN


(Toxoplasma
gondii)
PF14531
(Kinase-like)
5 GLY A 487
GLN A 505
TYR A 474
TYR A 491
THR A 483
None
1.43A 1kvlA-4jrnA:
undetectable
1kvlA-4jrnA:
21.29
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.
4knc ALGINATE
BIOSYNTHESIS PROTEIN
ALGX


(Pseudomonas
aeruginosa)
no annotation 5 GLY B 173
LEU B  43
GLN B  66
THR B 220
GLY B 219
None
1.34A 1kvlA-4kncB:
undetectable
1kvlA-4kncB:
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.
4n4p ACYLNEURAMINATE
LYASE


(Mycoplasma
synoviae)
PF00701
(DHDPS)
5 GLY A  52
LEU A  36
ASN A 213
THR A  48
GLY A  49
None
None
None
None
CL  A 300 ( 4.1A)
1.33A 1kvlA-4n4pA:
undetectable
1kvlA-4n4pA:
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.
4q3l MGS-M2

(unidentified)
PF00561
(Abhydrolase_1)
5 LEU A  78
GLN A  75
TYR A  55
TYR A  98
THR A  36
None
1.42A 1kvlA-4q3lA:
undetectable
1kvlA-4q3lA:
20.90
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.
4r5z PUTATIVE
PHENYLALANINE
AMINOTRANSFERASE


(Mycobacterium
tuberculosis)
PF00155
(Aminotran_1_2)
5 GLY A  84
LEU A 112
GLN A 116
THR A 214
GLY A 227
PMP  A 402 (-3.4A)
GOL  A 403 (-4.9A)
GOL  A 403 (-4.0A)
PMP  A 402 (-3.3A)
PMP  A 402 ( 4.6A)
1.12A 1kvlA-4r5zA:
undetectable
1kvlA-4r5zA:
24.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii)
PF00144
(Beta-lactamase)
7 GLY A  63
LEU A 119
GLN A 120
ASN A 152
TYR A 222
THR A 313
GLY A 314
None
None
None
None
None
PO4  A 401 (-4.0A)
PO4  A 401 (-3.4A)
1.12A 1kvlA-4u0tA:
53.1
1kvlA-4u0tA:
41.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii)
PF00144
(Beta-lactamase)
8 LEU A 119
GLN A 120
TYR A 150
ASN A 152
TYR A 222
LYS A 312
THR A 313
GLY A 314
None
None
PO4  A 401 (-4.0A)
None
None
PO4  A 401 (-2.7A)
PO4  A 401 (-4.0A)
PO4  A 401 (-3.4A)
0.32A 1kvlA-4u0tA:
53.1
1kvlA-4u0tA:
41.94
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.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01)
PF07859
(Abhydrolase_3)
5 GLY A 160
LEU A  99
TYR A  82
THR A 164
GLY A 161
None
1.02A 1kvlA-4v2iA:
undetectable
1kvlA-4v2iA:
23.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa)
PF00144
(Beta-lactamase)
6 GLY A  89
GLN A 146
ASN A 179
TYR A 249
THR A 343
GLY A 344
OP0  A 401 ( 3.9A)
OP0  A 401 (-3.0A)
OP0  A 401 (-3.5A)
OP0  A 401 (-3.6A)
OP0  A 401 (-4.0A)
OP0  A 401 (-3.3A)
1.21A 1kvlA-4x68A:
56.1
1kvlA-4x68A:
43.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa)
PF00144
(Beta-lactamase)
8 LEU A 145
GLN A 146
TYR A 177
ASN A 179
TYR A 249
LYS A 342
THR A 343
GLY A 344
OP0  A 401 ( 4.8A)
OP0  A 401 (-3.0A)
OP0  A 401 (-4.2A)
OP0  A 401 (-3.5A)
OP0  A 401 (-3.6A)
OP0  A 401 (-2.9A)
OP0  A 401 (-4.0A)
OP0  A 401 (-3.3A)
0.36A 1kvlA-4x68A:
56.1
1kvlA-4x68A:
43.65
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.
4y0a SHIKIMATE KINASE

(Acinetobacter
baumannii)
PF01202
(SKI)
5 GLY A  96
LEU A 156
TYR A 157
THR A  94
GLY A  95
SKM  A 201 (-3.1A)
None
None
None
SKM  A 201 ( 2.8A)
1.31A 1kvlA-4y0aA:
undetectable
1kvlA-4y0aA:
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.
5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER


(Pseudomonas
putida)
PF01547
(SBP_bac_1)
5 GLY A  68
LEU A 385
GLN A 388
ASN A 380
GLY A  67
GAL  A 501 (-3.5A)
None
None
None
GAL  A 501 (-3.3A)
1.43A 1kvlA-5dvjA:
undetectable
1kvlA-5dvjA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2g BETA-LACTAMASE

(Burkholderia
cenocepacia)
PF00144
(Beta-lactamase)
5 GLY A  58
ASN A 147
TYR A 217
THR A 311
GLY A 312
None
1.25A 1kvlA-5e2gA:
52.0
1kvlA-5e2gA:
43.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2g BETA-LACTAMASE

(Burkholderia
cenocepacia)
PF00144
(Beta-lactamase)
6 TYR A 145
ASN A 147
TYR A 217
LYS A 310
THR A 311
GLY A 312
None
0.36A 1kvlA-5e2gA:
52.0
1kvlA-5e2gA:
43.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis)
PF00144
(Beta-lactamase)
5 GLY A  57
ASN A 146
TYR A 216
THR A 308
GLY A 309
None
CL  A 402 ( 4.8A)
None
None
None
1.35A 1kvlA-5e2hA:
54.7
1kvlA-5e2hA:
41.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis)
PF00144
(Beta-lactamase)
6 LEU A 113
GLN A 114
TYR A 144
LYS A 307
THR A 308
GLY A 309
None
0.71A 1kvlA-5e2hA:
54.7
1kvlA-5e2hA:
41.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis)
PF00144
(Beta-lactamase)
7 LEU A 113
TYR A 144
ASN A 146
TYR A 216
LYS A 307
THR A 308
GLY A 309
None
None
CL  A 402 ( 4.8A)
None
None
None
None
0.25A 1kvlA-5e2hA:
54.7
1kvlA-5e2hA:
41.50
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.
5eny POLYKETIDE SYNTHASE
PKSL


(Bacillus
subtilis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
5 GLY A  64
GLN A 219
ASN A  32
THR A 345
GLY A 233
None
1.32A 1kvlA-5enyA:
undetectable
1kvlA-5enyA:
19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE


(Pseudomonas
syringae group
genomosp. 3)
PF00144
(Beta-lactamase)
6 GLN B 119
TYR B 149
ASN B 151
TYR B 221
LYS B 313
GLY B 315
None
0.67A 1kvlA-5eviB:
54.5
1kvlA-5eviB:
41.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE


(Pseudomonas
syringae group
genomosp. 3)
PF00144
(Beta-lactamase)
6 GLN B 119
TYR B 149
ASN B 151
TYR B 221
THR B 314
GLY B 315
None
0.35A 1kvlA-5eviB:
54.5
1kvlA-5eviB:
41.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE


(Pseudomonas
syringae group
genomosp. 3)
PF00144
(Beta-lactamase)
6 GLY B  62
GLN B 119
ASN B 151
TYR B 221
THR B 314
GLY B 315
None
1.22A 1kvlA-5eviB:
54.5
1kvlA-5eviB:
41.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5evl BETA-LACTAMASE

(Chromobacterium
violaceum)
PF00144
(Beta-lactamase)
5 GLY A  64
ASN A 153
TYR A 223
THR A 316
GLY A 317
None
None
None
SO4  A 403 (-4.0A)
SO4  A 403 (-3.5A)
1.31A 1kvlA-5evlA:
53.6
1kvlA-5evlA:
47.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5evl BETA-LACTAMASE

(Chromobacterium
violaceum)
PF00144
(Beta-lactamase)
5 LEU A 120
GLN A 121
TYR A 151
THR A 316
GLY A 317
None
None
SO4  A 403 (-4.8A)
SO4  A 403 (-4.0A)
SO4  A 403 (-3.5A)
0.84A 1kvlA-5evlA:
53.6
1kvlA-5evlA:
47.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5evl BETA-LACTAMASE

(Chromobacterium
violaceum)
PF00144
(Beta-lactamase)
7 LEU A 120
TYR A 151
ASN A 153
TYR A 223
LYS A 315
THR A 316
GLY A 317
None
SO4  A 403 (-4.8A)
None
None
SO4  A 403 (-3.2A)
SO4  A 403 (-4.0A)
SO4  A 403 (-3.5A)
0.40A 1kvlA-5evlA:
53.6
1kvlA-5evlA:
47.15
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.
5f5n MONOOXYGENASE

(Micromonospora
sp. TP-A0468)
PF05368
(NmrA)
5 GLY A  18
LEU A  59
GLN A  79
THR A  14
GLY A  15
None
NAD  A 301 (-3.7A)
None
NAD  A 301 (-3.7A)
NAD  A 301 (-3.3A)
1.13A 1kvlA-5f5nA:
undetectable
1kvlA-5f5nA:
22.28
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata)
no annotation 5 GLY A 217
LEU A 249
TYR A 216
THR A 187
GLY A 186
None
1.47A 1kvlA-5nnbA:
undetectable
1kvlA-5nnbA:
10.33
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1


(Homo sapiens)
PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9)
5 GLY A1549
LEU A1486
TYR A1480
LYS A1645
GLY A1642
None
1.19A 1kvlA-5nugA:
undetectable
1kvlA-5nugA:
5.68
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.
5swv PENTAFUNCTIONAL AROM
POLYPEPTIDE


(Schizosaccharomyces
pombe)
PF01487
(DHquinase_I)
PF08501
(Shikimate_dh_N)
5 GLY C1423
LEU C1443
ASN C1445
THR C1425
GLY C1424
None
1.32A 1kvlA-5swvC:
undetectable
1kvlA-5swvC:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x6s ACETYLXYLAN ESTERASE
A


(Aspergillus
awamori)
PF10503
(Esterase_phd)
5 GLY A  89
TYR A 132
ASN A  97
THR A  83
GLY A  90
None
1.36A 1kvlA-5x6sA:
undetectable
1kvlA-5x6sA:
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.
5za2 BETA-LACTAMASE

(Escherichia
coli)
no annotation 6 GLY A  63
GLN A 120
ASN A 152
TYR A 222
THR A 315
GLY A 316
NXL  A 401 (-3.8A)
NXL  A 401 ( 3.3A)
NXL  A 401 (-3.6A)
EPE  A 405 (-4.0A)
NXL  A 401 (-4.0A)
NXL  A 401 (-3.4A)
1.29A 1kvlA-5za2A:
55.2
1kvlA-5za2A:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5za2 BETA-LACTAMASE

(Escherichia
coli)
no annotation 8 LEU A 119
GLN A 120
TYR A 150
ASN A 152
TYR A 222
LYS A 314
THR A 315
GLY A 316
NXL  A 401 (-4.6A)
NXL  A 401 ( 3.3A)
NXL  A 401 (-4.0A)
NXL  A 401 (-3.6A)
EPE  A 405 (-4.0A)
NXL  A 401 (-2.9A)
NXL  A 401 (-4.0A)
NXL  A 401 (-3.4A)
0.28A 1kvlA-5za2A:
55.2
1kvlA-5za2A:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE


(Methanothermococcus
thermolithotrophicus)
no annotation 5 GLY A 377
GLN A 345
ASN A 375
THR A 379
GLY A 378
None
1.44A 1kvlA-6et9A:
undetectable
1kvlA-6et9A:
14.61
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE


(Methanothermococcus
thermolithotrophicus)
no annotation 5 GLY A 380
LEU A 294
ASN A 290
THR A 382
GLY A 381
None
1.34A 1kvlA-6et9A:
undetectable
1kvlA-6et9A:
14.61
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE


(Bacteroides
thetaiotaomicron)
no annotation 5 GLY A 526
GLN A 540
ASN A 537
TYR A 525
GLY A 527
None
1.30A 1kvlA-6f8zA:
undetectable
1kvlA-6f8zA:
12.73
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes)
no annotation 7 GLY A  61
LEU A 117
GLN A 118
ASN A 150
TYR A 220
THR A 313
GLY A 314
NXL  A 401 ( 3.9A)
None
NXL  A 401 (-3.3A)
NXL  A 401 (-3.5A)
NXL  A 401 ( 4.7A)
NXL  A 401 (-3.5A)
NXL  A 401 (-3.3A)
1.21A 1kvlA-6fm7A:
55.1
1kvlA-6fm7A:
16.29
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes)
no annotation 8 LEU A 117
GLN A 118
TYR A 148
ASN A 150
TYR A 220
LYS A 312
THR A 313
GLY A 314
None
NXL  A 401 (-3.3A)
NXL  A 401 (-4.1A)
NXL  A 401 (-3.5A)
NXL  A 401 ( 4.7A)
NXL  A 401 (-3.6A)
NXL  A 401 (-3.5A)
NXL  A 401 (-3.3A)
0.28A 1kvlA-6fm7A:
55.1
1kvlA-6fm7A:
16.29