SIMILAR PATTERNS OF AMINO ACIDS FOR 4QCK_A_ASDA404

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.
1ci9 PROTEIN
(CARBOXYLESTERASE)


(Burkholderia
gladioli)
PF00144
(Beta-lactamase)
5 ASN A 162
LEU A 124
ALA A 167
LEU A 104
GLY A 189
None
1.30A 4qckA-1ci9A:
undetectable
4qckA-1ci9A:
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.
1e4a L-FUCULOSE
1-PHOSPHATE ALDOLASE


(Escherichia
coli)
PF00596
(Aldolase_II)
5 ASN P  29
VAL P  30
MET P  17
ASN P  23
GLY P 156
SO4  P 301 (-3.8A)
BME  P 303 ( 4.8A)
None
BME  P 303 ( 4.4A)
None
1.04A 4qckA-1e4aP:
0.0
4qckA-1e4aP:
21.28
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.
1fs5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE


(Escherichia
coli)
PF01182
(Glucosamine_iso)
5 ASN A  22
LEU A   6
ALA A  17
MET A  55
GLY A 265
None
1.31A 4qckA-1fs5A:
0.0
4qckA-1fs5A:
20.84
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.
1izo CYTOCHROME P450
152A1


(Bacillus
subtilis)
PF00067
(p450)
5 ASN A 239
LEU A 111
ALA A 213
MET A 217
GLY A 365
None
None
None
None
HEM  A 501 ( 3.7A)
1.29A 4qckA-1izoA:
undetectable
4qckA-1izoA:
23.09
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.
1onf GLUTATHIONE
REDUCTASE


(Plasmodium
falciparum)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 ASN A 229
ALA A  54
ASN A 192
GLY A 454
ASP A 225
None
1.15A 4qckA-1onfA:
0.0
4qckA-1onfA:
22.68
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.
1pgu ACTIN INTERACTING
PROTEIN 1


(Saccharomyces
cerevisiae)
PF00400
(WD40)
5 LEU A 590
ALA A 579
ASN A 581
GLY A 586
ASP A 562
None
1.12A 4qckA-1pguA:
0.0
4qckA-1pguA:
21.97
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)


(Homo sapiens)
PF03810
(IBN_N)
PF13513
(HEAT_EZ)
5 ASN A 469
VAL A 470
MET A 417
LEU A 413
GLY A 391
None
1.02A 4qckA-1qgrA:
0.0
4qckA-1qgrA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrr SULFOLIPID
BIOSYNTHESIS (SQD1)
PROTEIN


(Arabidopsis
thaliana)
PF01370
(Epimerase)
5 ASN A 362
VAL A 365
LEU A 240
ALA A 247
ASP A 358
None
1.30A 4qckA-1qrrA:
0.0
4qckA-1qrrA:
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.
1r4n AMYLOID BETA
PRECURSOR
PROTEIN-BINDING
PROTEIN 1


(Homo sapiens)
PF00899
(ThiF)
5 ASN A  37
ALA A  40
ASN A  73
LEU A  76
ASP A  61
None
1.20A 4qckA-1r4nA:
undetectable
4qckA-1r4nA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r4n AMYLOID BETA
PRECURSOR
PROTEIN-BINDING
PROTEIN 1


(Homo sapiens)
PF00899
(ThiF)
5 ASN A  37
LEU A  93
ALA A  40
ASN A  73
LEU A  76
None
1.20A 4qckA-1r4nA:
undetectable
4qckA-1r4nA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s0p ADENYLYL
CYCLASE-ASSOCIATED
PROTEIN


(Dictyostelium
discoideum)
PF01213
(CAP_N)
5 VAL A 191
ALA A 141
LEU A 139
ASN A 138
GLY A  78
None
1.17A 4qckA-1s0pA:
undetectable
4qckA-1s0pA:
18.54
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.
1t6k PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF


(Pseudomonas
fluorescens)
PF02567
(PhzC-PhzF)
5 GLN A  35
LEU A  69
ALA A  38
ASN A  42
GLY A 204
None
1.15A 4qckA-1t6kA:
undetectable
4qckA-1t6kA:
22.73
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.
1t8w AMP NUCLEOSIDASE

(Escherichia
coli)
PF01048
(PNP_UDP_1)
PF10423
(AMNp_N)
5 LEU A 231
ALA A 234
LEU A 275
ASN A 277
ASP A 211
None
1.28A 4qckA-1t8wA:
undetectable
4qckA-1t8wA:
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.
1tr1 BETA-GLUCOSIDASE A

(Paenibacillus
polymyxa)
PF00232
(Glyco_hydro_1)
5 ALA A 190
ASN A 175
LEU A 184
ASN A 186
GLY A 132
None
1.31A 4qckA-1tr1A:
undetectable
4qckA-1tr1A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6g TIP120 PROTEIN

(Homo sapiens)
PF08623
(TIP120)
5 ASN C 463
VAL C 464
LEU C 476
ALA C 468
ASN C 507
None
1.33A 4qckA-1u6gC:
undetectable
4qckA-1u6gC:
15.69
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.
1x2g LIPOATE-PROTEIN
LIGASE A


(Escherichia
coli)
PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C)
5 HIS A 148
LEU A  34
ALA A 107
LEU A 152
GLY A 150
None
1.20A 4qckA-1x2gA:
undetectable
4qckA-1x2gA:
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.
1xkd ISOCITRATE
DEHYDROGENASE


(Aeropyrum
pernix)
PF00180
(Iso_dh)
5 LEU A 290
ALA A 305
ASN A 309
LEU A 308
ASN A 307
None
1.33A 4qckA-1xkdA:
undetectable
4qckA-1xkdA:
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.
1z7a CONSERVED
HYPOTHETICAL PROTEIN


(Pseudomonas
aeruginosa)
PF01522
(Polysacc_deac_1)
5 HIS A 126
LEU A  54
ASN A 216
LEU A 213
GLY A 166
None
1.21A 4qckA-1z7aA:
undetectable
4qckA-1z7aA:
21.70
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.
2akz GAMMA ENOLASE

(Homo sapiens)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 VAL A 321
LEU A  94
ALA A  45
LEU A 111
ASN A 344
None
1.26A 4qckA-2akzA:
undetectable
4qckA-2akzA:
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.
2b44 GLYCYL-GLYCINE
ENDOPEPTIDASE LYTM


(Staphylococcus
aureus)
PF01551
(Peptidase_M23)
5 HIS A 291
ALA A 279
ASN A 261
ASN A 262
GLY A 285
PO4  A 500 (-3.9A)
None
None
None
PO4  A 500 (-3.6A)
1.29A 4qckA-2b44A:
undetectable
4qckA-2b44A:
16.80
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.
2b6o LENS FIBER MAJOR
INTRINSIC PROTEIN


(Ovis aries)
PF00230
(MIP)
5 VAL A  90
GLN A  93
LEU A  52
ALA A 186
ASN A 184
MC3  A 266 (-4.8A)
None
None
None
None
1.14A 4qckA-2b6oA:
undetectable
4qckA-2b6oA:
19.28
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.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi)
PF02156
(Glyco_hydro_26)
5 LEU A  21
ALA A 279
LEU A 243
GLY A 275
ASP A 272
None
1.22A 4qckA-2bvtA:
undetectable
4qckA-2bvtA:
22.00
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.
2dt4 HYPOTHETICAL PROTEIN
PH0802


(Pyrococcus
horikoshii)
PF03479
(DUF296)
5 ASN A  41
LEU A  94
ALA A  90
LEU A  22
GLY A  44
None
0.85A 4qckA-2dt4A:
undetectable
4qckA-2dt4A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fj0 CARBOXYLIC ESTER
HYDROLASE


(Manduca sexta)
PF00135
(COesterase)
5 VAL A  91
GLN A  94
LEU A 308
MET A 103
LEU A  98
None
1.33A 4qckA-2fj0A:
undetectable
4qckA-2fj0A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iag PROSTACYCLIN
SYNTHASE


(Homo sapiens)
PF00067
(p450)
5 LEU A 384
ALA A 354
MET A 486
GLY A  47
ASP A  49
None
1.04A 4qckA-2iagA:
undetectable
4qckA-2iagA:
22.66
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT


(Escherichia
coli)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C)
5 ASN A 423
VAL A 422
LEU A 229
LEU A 207
ASP A 425
None
1.17A 4qckA-2jgdA:
undetectable
4qckA-2jgdA:
17.35
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.
2pzk PUTATIVE NUCLEOTIDE
SUGAR EPIMERASE/
DEHYDRATASE


(Bordetella
bronchiseptica)
PF01370
(Epimerase)
5 LEU A  28
ALA A 102
ASN A  98
GLY A  52
ASP A  56
None
1.23A 4qckA-2pzkA:
undetectable
4qckA-2pzkA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qna IMPORTIN SUBUNIT
BETA-1


(Homo sapiens)
PF13513
(HEAT_EZ)
5 ASN A 469
VAL A 470
MET A 417
LEU A 413
GLY A 391
None
1.13A 4qckA-2qnaA:
undetectable
4qckA-2qnaA:
18.62
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans)
PF00026
(Asp)
5 ASN A 139
VAL A 140
GLN A 109
LEU A  76
GLY A 135
None
1.31A 4qckA-2qzwA:
0.0
4qckA-2qzwA:
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.
2vjh PHYCOERYTHRIN BETA
SUBUNIT


(Gloeobacter
violaceus)
PF00502
(Phycobilisome)
5 ASN B 143
LEU B  90
ALA B  43
LEU B  97
GLY B 166
None
1.28A 4qckA-2vjhB:
undetectable
4qckA-2vjhB:
17.57
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.
2y30 PUTATIVE REPRESSOR
SIMREG2


(Streptomyces
antibioticus)
PF00440
(TetR_N)
PF02909
(TetR_C)
5 GLN A 136
LEU A  88
LEU A 110
GLY A  84
ASP A  80
None
1.14A 4qckA-2y30A:
undetectable
4qckA-2y30A:
21.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zyl POSSIBLE
OXIDOREDUCTASE


(Mycobacterium
tuberculosis)
PF00355
(Rieske)
12 ASN A 175
VAL A 176
HIS A 186
GLN A 204
LEU A 226
ALA A 230
MET A 238
ASN A 240
LEU A 255
ASN A 257
GLY A 300
ASP A 304
None
None
FE2  A 452 (-3.3A)
None
None
None
None
None
None
None
None
FE2  A 452 (-2.0A)
0.25A 4qckA-2zylA:
53.2
4qckA-2zylA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zyl POSSIBLE
OXIDOREDUCTASE


(Mycobacterium
tuberculosis)
PF00355
(Rieske)
7 ASN A 175
VAL A 176
HIS A 186
GLN A 204
LEU A 242
GLY A 300
ASP A 304
None
None
FE2  A 452 (-3.3A)
None
None
None
FE2  A 452 (-2.0A)
1.21A 4qckA-2zylA:
53.2
4qckA-2zylA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zyl POSSIBLE
OXIDOREDUCTASE


(Mycobacterium
tuberculosis)
PF00355
(Rieske)
6 HIS A 181
ALA A 230
MET A 238
ASN A 240
ASN A 257
ASP A 304
FE2  A 452 (-3.3A)
None
None
None
None
FE2  A 452 (-2.0A)
1.30A 4qckA-2zylA:
53.2
4qckA-2zylA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cit SENSOR HISTIDINE
KINASE


(Pseudomonas
syringae group
genomosp. 3)
no annotation 5 VAL A  58
HIS A  80
LEU A 110
ASN A 133
GLY A  81
None
None
None
GOL  A 176 (-3.2A)
None
1.21A 4qckA-3citA:
undetectable
4qckA-3citA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens)
PF01522
(Polysacc_deac_1)
5 HIS A 126
LEU A  54
ASN A 216
LEU A 213
GLY A 166
None
1.24A 4qckA-3cl6A:
undetectable
4qckA-3cl6A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cnc FIBER PROTEIN

(Human
mastadenovirus
B)
PF00541
(Adeno_knob)
5 LEU A 225
MET A 252
LEU A 163
ASN A 245
GLY A 231
None
1.01A 4qckA-3cncA:
undetectable
4qckA-3cncA:
18.81
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.
3h4i GLYCOSYLTRANSFERASE
GTFA,
GLYCOSYLTRANSFERASE


(Actinoplanes
teichomyceticus;
Amycolatopsis
orientalis)
PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C)
5 VAL A 123
ALA A 181
LEU A 185
GLY A 292
ASP A 315
None
None
None
None
U2F  A 547 (-2.7A)
1.31A 4qckA-3h4iA:
undetectable
4qckA-3h4iA:
25.28
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.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE


(Pyrococcus
horikoshii)
PF07969
(Amidohydro_3)
5 VAL X 376
HIS X 330
GLN X 377
LEU X 285
GLY X 283
None
SO4  X   1 (-3.9A)
None
None
None
1.10A 4qckA-3ighX:
undetectable
4qckA-3ighX:
23.18
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.
3ilv GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE


(Cytophaga
hutchinsonii)
PF00795
(CN_hydrolase)
PF02540
(NAD_synthase)
5 ASN A 219
VAL A 234
LEU A  83
ALA A   9
GLY A  49
None
1.33A 4qckA-3ilvA:
undetectable
4qckA-3ilvA:
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.
3iyl VP1

(Aquareovirus C)
PF06016
(Reovirus_L2)
5 ASN W 502
VAL W 501
HIS W1193
LEU W1276
GLY W1150
None
1.30A 4qckA-3iylW:
undetectable
4qckA-3iylW:
14.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kiz PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE


(Cytophaga
hutchinsonii)
PF02769
(AIRS_C)
5 ASN A 183
VAL A 184
ALA A 351
GLY A 280
ASP A 283
None
None
None
EDO  A 397 (-3.3A)
None
1.19A 4qckA-3kizA:
undetectable
4qckA-3kizA:
22.94
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.
3kom TRANSKETOLASE

(Francisella
tularensis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 ASN A 187
VAL A 248
LEU A 267
ALA A 257
GLY A 264
None
1.33A 4qckA-3komA:
undetectable
4qckA-3komA:
19.35
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.
3m9i LENS FIBER MAJOR
INTRINSIC PROTEIN


(Ovis aries)
PF00230
(MIP)
5 VAL A  90
GLN A  93
LEU A  52
ALA A 186
ASN A 184
None
1.23A 4qckA-3m9iA:
undetectable
4qckA-3m9iA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o3o ALPHA-SUBUNIT
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE


(Clostridioides
difficile)
PF06050
(HGD-D)
6 VAL A  38
LEU A 214
ALA A 293
MET A 313
ASN A 315
GLY A 264
None
None
None
None
2RH  A 410 (-3.5A)
None
1.43A 4qckA-3o3oA:
undetectable
4qckA-3o3oA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ow2 50S RIBOSOMAL
PROTEIN L2P


(Haloarcula
marismortui)
PF00181
(Ribosomal_L2)
PF03947
(Ribosomal_L2_C)
5 ASN A 107
VAL A 108
ALA A 126
ASN A 125
GLY A 160
None
1.25A 4qckA-3ow2A:
2.4
4qckA-3ow2A:
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.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1


(Bifidobacterium
longum)
PF13416
(SBP_bac_8)
5 ASN A 374
LEU A 339
ALA A 145
GLY A 123
ASP A 125
None
None
None
SO4  A   3 (-3.5A)
None
1.32A 4qckA-3qufA:
undetectable
4qckA-3qufA:
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.
3r6y ASPARTASE

(Bacillus sp.
YM55-1)
PF00206
(Lyase_1)
5 ASN A 136
VAL A 135
LEU A 250
ALA A  57
GLY A 228
ASN  A 136 ( 0.6A)
VAL  A 135 ( 0.6A)
LEU  A 250 ( 0.6A)
ALA  A  57 ( 0.0A)
GLY  A 228 ( 0.0A)
1.22A 4qckA-3r6yA:
undetectable
4qckA-3r6yA:
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.
3rd8 FUMARATE HYDRATASE
CLASS II


(Mycolicibacterium
smegmatis)
PF00206
(Lyase_1)
PF10415
(FumaraseC_C)
5 ASN A 132
VAL A 131
LEU A 247
ALA A  60
GLY A 225
None
1.28A 4qckA-3rd8A:
undetectable
4qckA-3rd8A:
22.36
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.
3rrp PROBABLE FUMARATE
HYDRATASE FUM


(Mycobacteroides
abscessus)
PF00206
(Lyase_1)
PF10415
(FumaraseC_C)
5 ASN A 133
VAL A 132
LEU A 248
ALA A  59
GLY A 226
None
1.30A 4qckA-3rrpA:
undetectable
4qckA-3rrpA:
21.49
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.
3s5s MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN


(Sorangium
cellulosum)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ASN A 269
VAL A 268
ALA A 265
LEU A 221
GLY A 195
None
1.21A 4qckA-3s5sA:
undetectable
4qckA-3s5sA:
22.66
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.
3s6o POLYSACCHARIDE
DEACETYLASE FAMILY
PROTEIN


(Burkholderia
pseudomallei)
PF01522
(Polysacc_deac_1)
5 HIS A 127
LEU A  56
ASN A 220
LEU A 217
GLY A 167
None
1.20A 4qckA-3s6oA:
undetectable
4qckA-3s6oA:
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.
3stt METHYLKETONE
SYNTHASE I


(Solanum
habrochaites)
PF12697
(Abhydrolase_6)
5 ASN A 163
LEU A  88
LEU A 153
ASN A 138
GLY A 129
None
DKA  A 266 (-4.2A)
None
None
DKA  A 266 ( 3.7A)
1.12A 4qckA-3sttA:
undetectable
4qckA-3sttA:
21.00
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.
3tej ENTEROBACTIN
SYNTHASE COMPONENT F


(Escherichia
coli)
PF00550
(PP-binding)
PF00975
(Thioesterase)
5 ASN A1216
HIS A1072
ALA A1109
LEU A1112
GLY A1140
None
1.28A 4qckA-3tejA:
undetectable
4qckA-3tejA:
21.79
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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME


(Mycolicibacterium
smegmatis)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C)
5 ASN A 710
VAL A 709
LEU A 508
LEU A 486
ASP A 712
None
1.16A 4qckA-3zhrA:
undetectable
4qckA-3zhrA:
19.43
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.
4a5q CHI1

(Yersinia
entomophaga)
PF00704
(Glyco_hydro_18)
5 ASN A  69
VAL A  70
HIS A 250
ASN A 321
GLY A 292
None
1.17A 4qckA-4a5qA:
undetectable
4qckA-4a5qA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri)
PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70)
5 ASN A1549
VAL A1548
ALA A1598
ASN A 983
GLY A1553
None
1.16A 4qckA-4amcA:
undetectable
4qckA-4amcA:
15.59
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.
4apb FUMARATE HYDRATASE
CLASS II


(Mycobacterium
tuberculosis)
PF00206
(Lyase_1)
PF10415
(FumaraseC_C)
5 ASN A 134
VAL A 133
LEU A 249
ALA A  62
GLY A 227
None
1.27A 4qckA-4apbA:
undetectable
4qckA-4apbA:
22.20
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.
4btp P1

(Pseudomonas
phage phi8)
no annotation 5 VAL A 458
ALA A 392
LEU A 446
GLY A 687
ASP A 691
None
1.19A 4qckA-4btpA:
undetectable
4qckA-4btpA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3


(Homo sapiens)
PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin)
5 LEU B 343
ALA A 323
LEU B 245
ASN B 305
GLY B 349
None
1.14A 4qckA-4cakB:
undetectable
4qckA-4cakB:
19.97
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.
4dnx SULFATE
ADENYLYLTRANSFERASE


(Allochromatium
vinosum)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2)
5 GLN A 152
LEU A 270
ALA A  40
ASN A  43
LEU A  83
None
1.29A 4qckA-4dnxA:
undetectable
4qckA-4dnxA:
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.
4fr2 1,3-PROPANEDIOL
DEHYDROGENASE


(Oenococcus oeni)
PF00465
(Fe-ADH)
5 ASN A  14
VAL A 176
ALA A 139
ASN A 179
GLY A 255
None
1.32A 4qckA-4fr2A:
undetectable
4qckA-4fr2A:
22.66
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.
4g4s PROTEASOME CHAPERONE
1


(Saccharomyces
cerevisiae)
PF10450
(POC1)
5 ALA O 219
MET O 177
LEU O 217
GLY O 243
ASP O 240
None
1.15A 4qckA-4g4sO:
undetectable
4qckA-4g4sO:
20.72
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.
4h41 PUTATIVE
ALPHA-L-FUCOSIDASE


(Bacteroides
thetaiotaomicron)
PF14488
(DUF4434)
PF17134
(DUF5109)
5 ALA A 202
MET A 206
ASN A 165
GLY A 150
ASP A 148
None
1.24A 4qckA-4h41A:
undetectable
4qckA-4h41A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hnn DIHYDRODIPICOLINATE
SYNTHASE


(Vitis vinifera)
PF00701
(DHDPS)
5 VAL A 315
GLN A 272
LEU A 229
ASN A 297
GLY A 303
None
1.18A 4qckA-4hnnA:
undetectable
4qckA-4hnnA:
20.74
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.
4ica MATRIX PROTEIN P15

(Feline
immunodeficiency
virus)
no annotation 5 VAL A  85
LEU A  96
ALA A 106
GLY A 114
ASP A 116
None
1.21A 4qckA-4icaA:
undetectable
4qckA-4icaA:
15.80
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes)
PF02016
(Peptidase_S66)
5 HIS A 133
LEU A 107
ALA A 115
ASN A 204
GLY A 131
LMS  A 401 (-3.9A)
None
None
None
None
1.22A 4qckA-4injA:
undetectable
4qckA-4injA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jg3 CATABOLITE
REPRESSION CONTROL
PROTEIN


(Pseudomonas
aeruginosa)
PF03372
(Exo_endo_phos)
5 VAL A   9
LEU A  46
ALA A  17
ASN A  12
GLY A  69
None
1.32A 4qckA-4jg3A:
undetectable
4qckA-4jg3A:
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.
4mdc PUTATIVE GLUTATHIONE
S-TRANSFERASE


(Sinorhizobium
meliloti)
PF13417
(GST_N_3)
PF14497
(GST_C_3)
5 HIS A 224
ALA A 192
MET A 149
GLY A 185
ASP A 182
None
1.26A 4qckA-4mdcA:
undetectable
4qckA-4mdcA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pju COHESIN SUBUNIT SA-2

(Homo sapiens)
PF08514
(STAG)
5 VAL A 376
HIS A 337
ALA A 390
LEU A 351
GLY A 333
None
1.29A 4qckA-4pjuA:
undetectable
4qckA-4pjuA:
16.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE


(Rhodococcus
rhodochrous)
PF00355
(Rieske)
8 ASN A 181
VAL A 182
GLN A 210
LEU A 233
ALA A 237
MET A 245
LEU A 262
ASN A 264
FE2  A 402 (-4.2A)
30Q  A 403 (-3.5A)
30Q  A 403 (-3.6A)
None
30Q  A 403 ( 3.7A)
30Q  A 403 ( 3.8A)
None
None
0.57A 4qckA-4qddA:
44.1
4qckA-4qddA:
61.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE


(Rhodococcus
rhodochrous)
PF00355
(Rieske)
8 ASN A 181
VAL A 182
HIS A 192
GLN A 210
ALA A 237
MET A 245
LEU A 262
ASN A 264
FE2  A 402 (-4.2A)
30Q  A 403 (-3.5A)
FE2  A 402 ( 3.5A)
30Q  A 403 (-3.6A)
30Q  A 403 ( 3.7A)
30Q  A 403 ( 3.8A)
None
None
0.63A 4qckA-4qddA:
44.1
4qckA-4qddA:
61.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE


(Rhodococcus
rhodochrous)
PF00355
(Rieske)
7 ASN A 181
VAL A 182
HIS A 192
GLN A 210
MET A 245
ASN A 264
GLY A 307
FE2  A 402 (-4.2A)
30Q  A 403 (-3.5A)
FE2  A 402 ( 3.5A)
30Q  A 403 (-3.6A)
30Q  A 403 ( 3.8A)
None
None
1.00A 4qckA-4qddA:
44.1
4qckA-4qddA:
61.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE


(Rhodococcus
rhodochrous)
PF00355
(Rieske)
5 ASN A 181
VAL A 182
HIS A 192
GLY A 307
ASP A 311
FE2  A 402 (-4.2A)
30Q  A 403 (-3.5A)
FE2  A 402 ( 3.5A)
None
FE2  A 402 (-2.3A)
0.99A 4qckA-4qddA:
44.1
4qckA-4qddA:
61.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qdd 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE


(Rhodococcus
rhodochrous)
PF00355
(Rieske)
5 HIS A 187
GLN A 210
ALA A 237
MET A 245
ASN A 264
FE2  A 402 (-3.5A)
30Q  A 403 (-3.6A)
30Q  A 403 ( 3.7A)
30Q  A 403 ( 3.8A)
None
1.13A 4qckA-4qddA:
44.1
4qckA-4qddA:
61.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE


(Rhodococcus
rhodochrous)
PF00355
(Rieske)
9 ASN B 175
HIS B 186
GLN B 204
ALA B 231
MET B 239
LEU B 256
ASN B 258
GLY B 301
ASP B 305
FE2  B 401 (-4.9A)
FE2  B 401 ( 3.5A)
30Q  B 403 (-4.0A)
30Q  B 403 ( 3.7A)
30Q  B 403 (-3.6A)
None
30Q  B 403 ( 4.7A)
30Q  B 403 ( 4.3A)
FE2  B 401 ( 2.1A)
0.33A 4qckA-4qdfB:
48.2
4qckA-4qdfB:
58.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE


(Rhodococcus
rhodochrous)
PF00355
(Rieske)
6 ASN B 175
HIS B 186
GLN B 204
LEU B 243
GLY B 301
ASP B 305
FE2  B 401 (-4.9A)
FE2  B 401 ( 3.5A)
30Q  B 403 (-4.0A)
30Q  B 403 (-4.8A)
30Q  B 403 ( 4.3A)
FE2  B 401 ( 2.1A)
1.26A 4qckA-4qdfB:
48.2
4qckA-4qdfB:
58.31
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.
4rih GLYCOSYL TRANSFERASE
HOMOLOG,GLYCOSYL
TRANSFERASE


(Streptomyces
cyanogenus;
Streptomyces
fradiae)
PF06722
(DUF1205)
5 HIS A 283
GLN A 299
ALA A 292
LEU A 270
GLY A 218
3R2  A 401 (-4.3A)
None
None
3R2  A 401 (-3.7A)
3R2  A 401 (-3.5A)
1.26A 4qckA-4rihA:
undetectable
4qckA-4rihA:
23.49
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.
4zyj DNMZ

(Streptomyces
peucetius)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 VAL A 259
HIS A 120
ALA A 255
MET A 336
ASP A 323
TYD  A 501 (-4.3A)
None
TYD  A 501 ( 3.8A)
None
None
1.27A 4qckA-4zyjA:
undetectable
4qckA-4zyjA:
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.
5c08 1E6 TCR BETA CHAIN

(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
5 ASN E  50
MET E  69
ASN E  52
GLY E  28
ASP E  30
GOL  E 306 (-3.5A)
None
None
None
GOL  E 306 (-2.7A)
1.30A 4qckA-5c08E:
undetectable
4qckA-5c08E:
21.37
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.
5c70 GLUCURONIDASE

(Aspergillus
oryzae)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
5 GLN A 527
LEU A 514
ALA A 508
ASN A 567
ASP A 554
None
1.32A 4qckA-5c70A:
undetectable
4qckA-5c70A:
19.97
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF


(Serratia sp.
FS14)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
5 GLN A 174
LEU A  49
ALA A 116
GLY A 167
ASP A 169
None
1.16A 4qckA-5cioA:
undetectable
4qckA-5cioA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE


(Corynebacterium
glutamicum)
PF02446
(Glyco_hydro_77)
5 GLN A 423
ALA A 413
LEU A 468
GLY A 390
ASP A 460
None
None
None
GOL  A 801 ( 4.3A)
None
1.17A 4qckA-5jjhA:
undetectable
4qckA-5jjhA:
20.33
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.
5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE


(Flavobacterium
psychrophilum)
PF10459
(Peptidase_S46)
5 LEU A 100
ALA A 321
ASN A 210
GLY A 202
ASP A 219
None
ARG  A 801 (-3.7A)
ARG  A 801 (-2.9A)
None
None
1.31A 4qckA-5jxfA:
undetectable
4qckA-5jxfA:
19.95
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.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2


(Rattus
norvegicus)
PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd)
5 HIS A 297
ALA A 289
MET A 285
LEU A 251
GLY A 339
None
1.26A 4qckA-5kufA:
undetectable
4qckA-5kufA:
17.38
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.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2


(Rattus
norvegicus)
PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd)
5 HIS A 297
LEU A 118
ALA A 289
LEU A 251
GLY A 339
None
1.33A 4qckA-5kufA:
undetectable
4qckA-5kufA:
17.38
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A


(Homo sapiens)
PF01593
(Amino_oxidase)
PF04433
(SWIRM)
5 LEU A 386
ALA A 539
ASN A 540
LEU A 547
GLY A 409
None
1.33A 4qckA-5l3dA:
undetectable
4qckA-5l3dA:
17.36
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.
5m0k BETA-XYLANASE

(Cellulomonas
flavigena)
no annotation 5 ASN A 278
GLN A 242
LEU A 234
ALA A 291
GLY A 266
None
1.19A 4qckA-5m0kA:
undetectable
4qckA-5m0kA:
11.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5min QUINOPROTEIN GLUCOSE
DEHYDROGENASE B


(Acinetobacter
calcoaceticus)
no annotation 5 ASN A 212
LEU A 149
LEU A 204
ASN A 203
GLY A 152
None
1.23A 4qckA-5minA:
0.0
4qckA-5minA:
11.66
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.
5mzs FERRIC ENTEROBACTIN
RECEPTOR


(Pseudomonas
aeruginosa)
no annotation 5 GLN A 150
ALA A 151
ASN A 182
GLY A 195
ASP A 236
None
1.16A 4qckA-5mzsA:
3.4
4qckA-5mzsA:
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.
5n40 PUTATIVE INVASIN

(Yersinia
pseudotuberculosis)
PF05689
(DUF823)
PF09134
(Invasin_D3)
5 ASN A2583
VAL A2584
ALA A2547
ASN A2467
GLY A2498
None
1.26A 4qckA-5n40A:
undetectable
4qckA-5n40A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron)
PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C)
5 VAL A 376
LEU A  96
ALA A 399
LEU A 381
GLY A  90
None
1.30A 4qckA-5ngkA:
undetectable
4qckA-5ngkA:
24.18
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.
5o3w PEPTIDE CYCLASE 1

(Gypsophila
vaccaria)
no annotation 5 ASN A 355
GLN A 380
LEU A 359
ALA A 378
LEU A 337
None
1.29A 4qckA-5o3wA:
0.0
4qckA-5o3wA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1


(Saccharomyces
cerevisiae)
PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
5 ASN T1287
VAL T1284
LEU T1311
LEU T1242
ASN T1239
None
1.24A 4qckA-5ojsT:
undetectable
4qckA-5ojsT:
7.05
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.
5ve8 KAP123

(Kluyveromyces
lactis)
no annotation 5 ASN A 237
GLN A 186
LEU A 178
ALA A 185
LEU A 220
None
1.29A 4qckA-5ve8A:
undetectable
4qckA-5ve8A:
15.89
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.
5wtp OMPA FAMILY PROTEIN

(Capnocytophaga
gingivalis)
no annotation 5 ASN A 369
VAL A 367
LEU A 423
ASN A 373
GLY A 417
None
1.11A 4qckA-5wtpA:
undetectable
4qckA-5wtpA:
11.62
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.
5zm4 DIOXYGENASE ANDA

(Aspergillus
stellatus)
no annotation 5 LEU A 123
ALA A 230
MET A 156
ASN A 158
GLY A 214
AKG  A 302 ( 3.6A)
9FU  A 303 (-3.5A)
9FU  A 303 ( 4.0A)
9FU  A 303 (-4.3A)
AKG  A 302 ( 3.9A)
1.09A 4qckA-5zm4A:
undetectable
4qckA-5zm4A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE


(Yersinia
enterocolitica)
no annotation 5 VAL A 243
LEU A 284
ALA A 272
MET A 185
GLY A 263
None
1.32A 4qckA-6b5fA:
undetectable
4qckA-6b5fA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dll P-HYDROXYBENZOATE
HYDROXYLASE


(Pseudomonas
putida)
no annotation 5 VAL A  31
LEU A 309
ALA A   6
LEU A 281
ASP A 159
None
1.26A 4qckA-6dllA:
undetectable
4qckA-6dllA:
12.37
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.
6evg MULTI-COPPER OXIDASE
CUEO


(Ochrobactrum)
no annotation 5 HIS A 234
LEU A 298
ALA A 228
GLY A 288
ASP A 290
None
1.18A 4qckA-6evgA:
undetectable
4qckA-6evgA:
11.23