SIMILAR PATTERNS OF AMINO ACIDS FOR 3KK6_B_CELB1701_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.
1b43 PROTEIN (FEN-1)

(Pyrococcus
furiosus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 VAL A 214
LEU A 218
LEU A 211
ILE A   4
GLY A   5
 None
 1.09A 3kk6B-1b43A:
0.0		 3kk6B-1b43A:
18.31
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.
1bvy PROTEIN (CYTOCHROME
P450 BM-3)

(Bacillus
megaterium) 		PF00258
(Flavodoxin_1) 		5 VAL F 562
LEU F 523
TRP F 550
PHE F 547
ILE F 585
 None
 1.26A 3kk6B-1bvyF:
undetectable		 3kk6B-1bvyF:
14.21
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.
1cfz HYDROGENASE 2
MATURATION PROTEASE

(Escherichia
coli) 		PF01750
(HycI) 		5 HIS A  93
VAL A  82
LEU A  85
SER A  91
GLY A 118
 CD  A 163 ( 3.4A)
None
None
CD  A 163 ( 4.3A)
None
 1.12A 3kk6B-1cfzA:
0.0		 3kk6B-1cfzA:
17.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 HIS A  90
GLN A 192
VAL A 349
LEU A 352
TYR A 355
LEU A 359
TRP A 387
SER A 516
PHE A 518
ILE A 523
GLY A 526
 None
None
SCL  A 700 ( 4.6A)
SCL  A 700 ( 4.8A)
SCL  A 700 (-4.3A)
None
None
None
None
SCL  A 700 (-3.4A)
SCL  A 700 ( 4.0A)
 0.53A 3kk6B-1ebvA:
59.6		 3kk6B-1ebvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		6 HIS A 513
VAL A 349
LEU A 352
TRP A 387
ILE A 523
GLY A 526
 None
SCL  A 700 ( 4.6A)
SCL  A 700 ( 4.8A)
None
SCL  A 700 (-3.4A)
SCL  A 700 ( 4.0A)
 1.46A 3kk6B-1ebvA:
59.6		 3kk6B-1ebvA:
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 VAL A 507
LEU A 511
LEU A 504
SER A 529
GLY A 538
 None
 1.03A 3kk6B-1itkA:
0.0		 3kk6B-1itkA:
21.09
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.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		5 TYR A 308
LEU A 184
SER A 329
ILE A 171
GLY A 173
 None
EOH  A 573 ( 4.8A)
None
None
None
 1.01A 3kk6B-1j71A:
0.0		 3kk6B-1j71A:
19.33
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.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		5 LEU A  35
LEU A  29
TRP A 146
ILE A  22
GLY A  83
 None
 1.17A 3kk6B-1kz1A:
undetectable		 3kk6B-1kz1A:
16.18
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.
1mmf GLYCEROL DEHYDRASE
BETA SUBUNIT

(Klebsiella
pneumoniae) 		PF02288
(Dehydratase_MU) 		5 LEU B  55
TYR B 132
PHE B  38
ILE B  99
GLY B  33
 None
 1.25A 3kk6B-1mmfB:
0.0		 3kk6B-1mmfB:
14.49
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.
1r47 ALPHA-GALACTOSIDASE
A

(Homo sapiens) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		5 HIS A 125
VAL A 199
LEU A 166
LEU A  36
GLY A  43
 None
 1.15A 3kk6B-1r47A:
0.0		 3kk6B-1r47A:
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.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 210
SER A 245
ILE A 250
GLY A 254
SER A 256
 None
 1.13A 3kk6B-1s9iA:
0.1		 3kk6B-1s9iA:
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.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 195
LEU A 210
SER A 245
ILE A 250
GLY A 254
 None
 1.18A 3kk6B-1s9iA:
0.1		 3kk6B-1s9iA:
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.
1smq RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SMALL CHAIN 1

(Saccharomyces
cerevisiae) 		PF00268
(Ribonuc_red_sm) 		5 VAL A 137
TYR A 183
SER A 144
GLY A 245
SER A 249
 None
 1.23A 3kk6B-1smqA:
0.0		 3kk6B-1smqA:
19.73
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.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		5 HIS A 187
TYR A 326
LEU A 192
ILE A 179
GLY A 181
 None
 1.25A 3kk6B-1tzsA:
undetectable		 3kk6B-1tzsA:
19.93
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.
1u2v ARP2/3 COMPLEX 16KDA
SUBUNIT

(Bos taurus) 		PF04699
(P16-Arc) 		5 VAL G  82
LEU G  83
LEU G  46
SER G 121
GLY G  76
 None
 1.13A 3kk6B-1u2vG:
undetectable		 3kk6B-1u2vG:
15.24
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 TYR A 374
LEU A 383
PHE A 315
ILE A 115
GLY A 117
 None
 1.16A 3kk6B-1u7gA:
undetectable		 3kk6B-1u7gA:
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 TYR A 315
LEU A 183
SER A 336
ILE A 170
GLY A 172
 None
 0.99A 3kk6B-1zapA:
undetectable		 3kk6B-1zapA:
20.51
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.
2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE

(Bacillus
circulans) 		PF01041
(DegT_DnrJ_EryC1) 		5 VAL A  99
LEU A 100
LEU A  74
TRP A 370
PHE A 351
 None
 1.14A 3kk6B-2c81A:
undetectable		 3kk6B-2c81A:
20.28
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.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		5 HIS A 468
GLN A 149
VAL A 142
ILE A 105
GLY A 104
 None
 1.11A 3kk6B-2dfsA:
undetectable		 3kk6B-2dfsA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ehb CALCINEURIN B-LIKE
PROTEIN 4
CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 24

(Arabidopsis
thaliana) 		PF03822
(NAF)
PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 LEU D 327
LEU A 192
PHE A  60
ILE A  78
GLY D 321
 None
 1.09A 3kk6B-2ehbD:
undetectable		 3kk6B-2ehbD:
14.94
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.
2g6y GREEN FLUORESCENT
PROTEIN 2

(Pontellina
plumata) 		PF01353
(GFP) 		5 VAL A  55
LEU A  52
SER A  48
PHE A  47
GLY A 118
 None
 1.13A 3kk6B-2g6yA:
undetectable		 3kk6B-2g6yA:
15.43
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		5 TYR A 315
LEU A 183
SER A 336
ILE A 170
GLY A 172
 None
 1.11A 3kk6B-2h6tA:
undetectable		 3kk6B-2h6tA:
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.
2iy9 SUBA

(Escherichia
coli) 		PF00082
(Peptidase_S8) 		5 HIS A  89
LEU A  96
LEU A  61
SER A 272
GLY A 266
 None
 1.00A 3kk6B-2iy9A:
0.0		 3kk6B-2iy9A:
19.06
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.
2nwb CONSERVED DOMAIN
PROTEIN

(Shewanella
oneidensis) 		PF08933
(DUF1864) 		5 HIS A 113
VAL A  58
LEU A  61
ILE A 114
GLY A  79
 None
 1.00A 3kk6B-2nwbA:
undetectable		 3kk6B-2nwbA:
19.93
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.
2o62 HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		PF12204
(DUF3598) 		5 LEU A  51
LEU A  38
PHE A  19
ILE A 122
GLY A  17
 None
 1.14A 3kk6B-2o62A:
undetectable		 3kk6B-2o62A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pgc UNCHARACTERIZED
PROTEIN

(uncultured
marine organism) 		no annotation 5 HIS A  52
VAL A  14
TYR A  93
ILE A  47
GLY A  45
 None
 1.27A 3kk6B-2pgcA:
undetectable		 3kk6B-2pgcA:
16.70
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.
2pvq GLUTATHIONE
S-TRANSFERASE

(Ochrobactrum
anthropi) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A 132
LEU A 139
PHE A 108
ILE A 161
GLY A 163
 None
 0.88A 3kk6B-2pvqA:
0.9		 3kk6B-2pvqA:
15.87
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 TYR A 315
LEU A 183
SER A 336
ILE A 170
GLY A 172
 None
 1.08A 3kk6B-2qzwA:
undetectable		 3kk6B-2qzwA:
21.07
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		5 TYR A 315
LEU A 183
SER A 336
ILE A 170
GLY A 172
 None
 1.20A 3kk6B-2qzxA:
undetectable		 3kk6B-2qzxA:
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		5 VAL A 171
LEU A 168
ILE A 225
GLY A 183
SER A 161
 None
 1.13A 3kk6B-2ragA:
undetectable		 3kk6B-2ragA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywd GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermus
thermophilus) 		PF01174
(SNO) 		5 VAL A 102
LEU A 103
LEU A 100
SER A 169
GLY A 164
 None
 1.22A 3kk6B-2ywdA:
undetectable		 3kk6B-2ywdA:
16.00
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		5 LEU A 100
TRP A 451
PHE A  28
ILE A  42
GLY A  41
 None
 1.22A 3kk6B-3axiA:
undetectable		 3kk6B-3axiA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bj1 HEMOGLOBIN BETA

(Perca
flavescens) 		PF00042
(Globin) 		5 VAL B 137
LEU B 141
LEU B 134
ILE B  67
GLY B  70
 None
HEM  B 148 (-4.7A)
None
HEM  B 148 ( 4.4A)
HEM  B 148 ( 4.0A)
 1.19A 3kk6B-3bj1B:
undetectable		 3kk6B-3bj1B:
13.54
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.
3brz TODX

(Pseudomonas
putida) 		PF03349
(Toluene_X) 		5 VAL A 187
LEU A 190
LEU A 182
SER A 255
GLY A 320
 C8E  A 501 ( 4.3A)
C8E  A 501 ( 4.2A)
None
None
None
 1.17A 3kk6B-3brzA:
undetectable		 3kk6B-3brzA:
22.84
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.
3c1x HEPATOCYTE GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLN A1067
VAL A1063
LEU A1058
ILE A1145
GLY A1128
 None
 1.09A 3kk6B-3c1xA:
undetectable		 3kk6B-3c1xA:
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.
3dde TENA/THI-4 PROTEIN,
DOMAIN OF UNKNOWN
FUNCTION WITH A HEME
OXYGENASE-LIKE FOLD

(Shewanella
denitrificans) 		PF14518
(Haem_oxygenas_2) 		5 GLN A 154
VAL A 149
LEU A 150
LEU A  31
GLY A 144
 None
 1.04A 3kk6B-3ddeA:
undetectable		 3kk6B-3ddeA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		5 TYR A 313
LEU A 186
SER A 334
ILE A 173
GLY A 175
 None
 1.02A 3kk6B-3fv3A:
undetectable		 3kk6B-3fv3A:
18.27
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.
3gd7 FUSION COMPLEX OF
CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR, RESIDUES
1193-1427 AND
MALTOSE/MALTODEXTRIN
IMPORT ATP-BINDING
PROTEIN MALK,
RESIDUES 219-371

(Escherichia
coli;
Homo sapiens) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		5 VAL A1327
LEU A1324
ILE A1383
GLY A1349
SER A1347
 None
 1.18A 3kk6B-3gd7A:
undetectable		 3kk6B-3gd7A:
22.12
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.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL

(Plasmodium
falciparum) 		PF01180
(DHO_dh) 		5 LEU A 176
SER A 468
PHE A 469
GLY A 478
SER A 529
 J5Z  A1001 ( 4.3A)
None
None
FMN  A1002 (-3.7A)
FMN  A1002 (-2.3A)
 1.24A 3kk6B-3i6rA:
undetectable		 3kk6B-3i6rA:
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.
3imm PUTATIVE SECRETED
GLYCOSYLHYDROLASE

(Parabacteroides
distasonis) 		PF06439
(DUF1080) 		5 LEU A  74
TRP A  96
ILE A  61
GLY A 205
SER A  84
 None
 1.22A 3kk6B-3immA:
undetectable		 3kk6B-3immA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 VAL B 322
LEU B 321
LEU B 313
SER B 128
GLY B 339
 None
 1.25A 3kk6B-3jcmB:
undetectable		 3kk6B-3jcmB:
19.93
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.
3lw0 INSULIN-LIKE GROWTH
FACTOR 1 RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A1201
LEU A1202
LEU A1136
ILE A1262
GLY A1117
 None
 1.26A 3kk6B-3lw0A:
undetectable		 3kk6B-3lw0A:
18.53
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.
3m5h HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 LEU A  66
LEU A 108
PHE A  82
ILE A 118
GLY A 116
 None
 1.20A 3kk6B-3m5hA:
undetectable		 3kk6B-3m5hA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 VAL A 114
LEU A 126
LEU A 117
PHE A 197
ILE A  80
 None
 1.27A 3kk6B-3oepA:
undetectable		 3kk6B-3oepA:
22.60
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.
3qs3 FIMBRILLIN MATB
HOMOLOG, ECPD

(Escherichia
coli) 		PF16449
(MatB) 		5 VAL A  94
TRP A 187
SER A 136
PHE A 135
GLY A 132
 None
 1.20A 3kk6B-3qs3A:
undetectable		 3kk6B-3qs3A:
18.20
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.
3rkx BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Staphylococcus
aureus) 		PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		5 LEU A  43
SER A  28
ILE A  20
GLY A  57
SER A  52
 None
 1.03A 3kk6B-3rkxA:
undetectable		 3kk6B-3rkxA:
20.25
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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		5 VAL A 188
LEU A 211
SER A 167
PHE A 165
GLY A 180
 None
None
NAP  A 552 ( 4.9A)
None
None
 1.13A 3kk6B-3up4A:
undetectable		 3kk6B-3up4A:
21.85
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.
3v6a APOPTOSIS INHIBITOR
5

(Homo sapiens) 		PF05918
(API5) 		5 VAL A 286
LEU A 287
LEU A 239
SER A 341
GLY A 271
 None
 1.22A 3kk6B-3v6aA:
undetectable		 3kk6B-3v6aA:
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.
3vb9 UNCHARACTERIZED
PROTEIN VPA0735

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		5 VAL A 262
LEU A 266
TRP A 243
ILE A 249
GLY A  64
 None
 1.20A 3kk6B-3vb9A:
undetectable		 3kk6B-3vb9A:
20.49
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.
3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF09071
(Alpha-amyl_C) 		5 LEU A 480
LEU A 487
SER A 475
PHE A 476
SER A 513
 None
 1.13A 3kk6B-3vgfA:
undetectable		 3kk6B-3vgfA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vot L-AMINO ACID LIGASE,
BL00235

(Bacillus
licheniformis) 		PF13535
(ATP-grasp_4) 		5 HIS A 271
LEU A 220
SER A 297
PHE A 309
GLY A 268
 None
 0.98A 3kk6B-3votA:
undetectable		 3kk6B-3votA:
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.
3vot L-AMINO ACID LIGASE,
BL00235

(Bacillus
licheniformis) 		PF13535
(ATP-grasp_4) 		5 HIS A 271
VAL A 219
LEU A 220
SER A 297
PHE A 309
 None
 1.25A 3kk6B-3votA:
undetectable		 3kk6B-3votA:
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.
3w1g DNA LIGASE 4

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 VAL A 369
LEU A 328
LEU A 377
PHE A 319
ILE A 323
 None
 1.23A 3kk6B-3w1gA:
undetectable		 3kk6B-3w1gA:
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.
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 192
LEU A 207
ILE A 247
GLY A 251
SER A 253
 None
 1.14A 3kk6B-3wigA:
undetectable		 3kk6B-3wigA:
19.10
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.
4bsn EXPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 VAL A 520
LEU A 517
LEU A 480
ILE A 504
GLY A 502
 None
 1.18A 3kk6B-4bsnA:
undetectable		 3kk6B-4bsnA:
19.57
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.
4chd POLYMERASE ACIDIC
PROTEIN

(Thogoto
thogotovirus) 		no annotation 5 LEU A 555
TYR A 655
LEU A 648
PHE A 569
GLY A 630
 None
 1.09A 3kk6B-4chdA:
undetectable		 3kk6B-4chdA:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d8m PESTICIDAL CRYSTAL
PROTEIN CRY5BA

(Bacillus
thuringiensis) 		PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 VAL A 591
LEU A 688
LEU A 580
ILE A 601
GLY A 600
 None
 1.06A 3kk6B-4d8mA:
undetectable		 3kk6B-4d8mA:
20.46
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.
4h3t CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Acidimicrobium
ferrooxidans) 		PF09481
(CRISPR_Cse1) 		5 VAL A  57
LEU A  60
LEU A 211
PHE A  92
ILE A  88
 None
 1.13A 3kk6B-4h3tA:
undetectable		 3kk6B-4h3tA:
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.
4h41 PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF14488
(DUF4434)
PF17134
(DUF5109) 		5 VAL A 168
SER A 214
PHE A 183
GLY A 145
SER A 102
 None
 1.24A 3kk6B-4h41A:
undetectable		 3kk6B-4h41A:
19.10
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.
4hyn CHEC, INHIBITOR OF
MCP METHYLATION /
FLIN FUSION PROTEIN

(Thermotoga
maritima) 		PF04509
(CheC) 		5 VAL A 105
LEU A 109
LEU A 102
SER A  49
GLY A 194
 None
 1.26A 3kk6B-4hynA:
undetectable		 3kk6B-4hynA:
15.61
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.
4i3h TOPOISOMERASE IV
SUBUNIT B, DNA
TOPOISOMERASE 4
SUBUNIT A CHIMERA

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF02518
(HATPase_c) 		5 VAL A 126
LEU A 130
LEU A 102
PHE A 183
GLY A  34
 None
 1.17A 3kk6B-4i3hA:
undetectable		 3kk6B-4i3hA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4juo DNA TOPOISOMERASE 4
SUBUNIT B

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF02518
(HATPase_c) 		5 VAL C 126
LEU C 130
LEU C 102
PHE C 183
GLY C  34
 None
 1.17A 3kk6B-4juoC:
undetectable		 3kk6B-4juoC:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lsw D-2-HYDROXYACID
DEHYDROGENSASE
PROTEIN

(Ketogulonicigenium
vulgare) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 VAL A 109
LEU A 164
SER A 233
ILE A 156
GLY A 102
 None
 1.08A 3kk6B-4lswA:
undetectable		 3kk6B-4lswA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbq POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Coxiella
burnetii) 		PF00013
(KH_1)
PF00575
(S1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 GLN A 209
VAL A 204
LEU A 205
TYR A 160
LEU A 176
 None
 1.25A 3kk6B-4nbqA:
0.4		 3kk6B-4nbqA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oic BET V I
ALLERGEN-LIKE
PROBABLE PROTEIN
PHOSPHATASE 2C 6

(Oryza sativa) 		PF00481
(PP2C)
PF10604
(Polyketide_cyc2) 		5 HIS B 207
LEU B 359
LEU A 187
SER B 353
GLY B 346
 None
 1.25A 3kk6B-4oicB:
undetectable		 3kk6B-4oicB:
21.31
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.
4p98 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Conexibacter
woesei) 		PF02608
(Bmp) 		5 GLN A 273
VAL A 133
LEU A 129
SER A 269
GLY A  96
 None
 1.18A 3kk6B-4p98A:
undetectable		 3kk6B-4p98A:
20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		7 GLN A 193
VAL A 350
LEU A 353
TRP A 388
PHE A 519
GLY A 527
SER A 531
 None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 ( 3.3A)
 0.90A 3kk6B-4ph9A:
56.8		 3kk6B-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		9 HIS A  90
GLN A 193
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TRP A 388
GLY A 527
SER A 531
 None
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.9A)
IBP  A 601 ( 3.3A)
 0.64A 3kk6B-4ph9A:
56.8		 3kk6B-4ph9A:
64.31
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.
4r7y MINICHROMOSOME
MAINTENANCE PROTEIN
MCM, CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus;
Sulfolobus
solfataricus) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 VAL A1341
LEU A1344
TYR A1755
LEU A1757
ILE A1875
 None
 1.16A 3kk6B-4r7yA:
undetectable		 3kk6B-4r7yA:
19.79
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.
4rn7 N-ACETYLMURAMOYL-L-A
LANINE AMIDASE

(Clostridioides
difficile) 		PF01520
(Amidase_3) 		5 VAL A 249
LEU A 176
ILE A 174
GLY A 124
SER A 193
 None
 1.21A 3kk6B-4rn7A:
undetectable		 3kk6B-4rn7A:
15.73
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.
4tzo C. ELEGANS HIM-3
CLOSURE MOTIF
PROTEIN HTP-1

(Caenorhabditis
elegans) 		PF02301
(HORMA)
no annotation 		5 LEU A 110
LEU A  93
ILE B 285
GLY B 284
SER B 282
 None
 1.10A 3kk6B-4tzoA:
undetectable		 3kk6B-4tzoA:
17.20
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.
4u8u GLOBIN A CHAIN

(Glossoscolex
paulistus) 		PF00042
(Globin) 		5 LEU A  75
LEU A  95
TRP A 133
PHE A 117
ILE A 113
 HEM  A 201 ( 4.7A)
HEM  A 201 (-4.9A)
None
HEM  A 201 (-4.6A)
HEM  A 201 (-3.6A)
 1.25A 3kk6B-4u8uA:
undetectable		 3kk6B-4u8uA:
13.90
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.
4wib MAGNESIUM
TRANSPORTER MGTE

(Thermus
thermophilus) 		PF01769
(MgtE) 		5 VAL A 362
LEU A 366
SER A 371
GLY A 331
SER A 334
 None
 1.23A 3kk6B-4wibA:
undetectable		 3kk6B-4wibA:
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.
4y9s EPOXIDE HYDROLASE

(Solanum
tuberosum) 		PF00561
(Abhydrolase_1) 		5 VAL A 141
LEU A 145
TYR A 235
LEU A 238
SER A 133
 None
 1.17A 3kk6B-4y9sA:
undetectable		 3kk6B-4y9sA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 TYR A 308
LEU A 177
SER A 329
ILE A 164
GLY A 166
 None
 1.03A 3kk6B-4y9wA:
undetectable		 3kk6B-4y9wA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnn CAPSID PROTEIN VP3

(Enterovirus D) 		PF00073
(Rhv) 		5 LEU C 113
TRP C 109
PHE C 222
ILE C  47
GLY C 100
 None
 1.23A 3kk6B-5bnnC:
undetectable		 3kk6B-5bnnC:
17.27
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.
5buv PUTATIVE EPIMERASE

(Yersinia
enterocolitica) 		PF00908
(dTDP_sugar_isom) 		5 LEU A 114
TRP A 156
PHE A 152
ILE A 147
GLY A  61
 None
 1.26A 3kk6B-5buvA:
undetectable		 3kk6B-5buvA:
16.09
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.
5gj8 ACYL-COA
DEHYDROGENASE TYPE 2
DOMAIN PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 GLN A 187
LEU A 189
LEU A 170
PHE A 107
SER A 118
 None
 1.21A 3kk6B-5gj8A:
undetectable		 3kk6B-5gj8A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gly GLYCOSIDE HYDROLASE
FAMILY 45 PROTEIN

(Thielavia
terrestris) 		PF02015
(Glyco_hydro_45) 		5 LEU A 143
SER A 159
PHE A 160
ILE A 151
GLY A 128
 None
 1.19A 3kk6B-5glyA:
undetectable		 3kk6B-5glyA:
15.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		8 HIS A  90
GLN A 192
VAL A 349
LEU A 352
TRP A 387
PHE A 518
GLY A 526
SER A 530
 None
None
ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
COH  A 602 (-4.5A)
None
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
 0.94A 3kk6B-5ikrA:
57.1		 3kk6B-5ikrA:
63.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		9 HIS A  90
GLN A 192
VAL A 349
LEU A 352
TYR A 355
LEU A 359
TRP A 387
GLY A 526
SER A 530
 None
None
ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
ID8  A 601 (-3.8A)
None
COH  A 602 (-4.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
 0.70A 3kk6B-5ikrA:
57.1		 3kk6B-5ikrA:
63.88
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.
5j0f SUPEROXIDE DISMUTASE
[CU-ZN],OXIDOREDUCTA
SE,SUPEROXIDE
DISMUTASE [CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 VAL A  38
LEU A  37
PHE A  84
ILE A  32
GLY A   2
 None
 1.25A 3kk6B-5j0fA:
undetectable		 3kk6B-5j0fA:
11.79
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 HIS A 351
VAL A 386
LEU A 389
TRP A 374
PHE A 371
 None
 1.12A 3kk6B-5jxrA:
undetectable		 3kk6B-5jxrA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbf CAMP-DEPENDENT
PROTEIN KINASE
REGULATORY SUBUNIT,
PUTATIVE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 LEU A 226
LEU A 263
PHE A 205
ILE A 201
SER A 187
 None
 1.19A 3kk6B-5kbfA:
undetectable		 3kk6B-5kbfA:
18.63
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.
5kl0 PHOSPHOGLUCOMUTASE

(Xanthomonas
citri) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 HIS A 325
VAL A 114
LEU A 130
SER A 139
GLY A 127
 G16  A 501 (-4.0A)
None
None
None
None
 1.19A 3kk6B-5kl0A:
undetectable		 3kk6B-5kl0A:
20.62
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.
5llt NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Plasmodium
falciparum) 		PF01467
(CTP_transf_like) 		5 HIS A 189
VAL A  23
LEU A  24
PHE A  59
ILE A  16
 None
 1.13A 3kk6B-5lltA:
undetectable		 3kk6B-5lltA:
17.66
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.
5m1t MUCR
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		5 HIS A 476
VAL A 451
LEU A 450
PHE A 487
ILE A 482
 None
 1.25A 3kk6B-5m1tA:
undetectable		 3kk6B-5m1tA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A 170
TYR A 139
LEU A 106
ILE A 184
GLY A 173
 None
 1.11A 3kk6B-5neuA:
undetectable		 3kk6B-5neuA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 VAL T2336
LEU T2333
LEU T2339
SER T2328
SER T2356
 None
 1.15A 3kk6B-5ojsT:
undetectable		 3kk6B-5ojsT:
9.51
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.
5um8 GLYCOPROTEIN GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 LEU G 454
LEU G 277
PHE G 361
ILE G 359
GLY G 346
 None
 1.12A 3kk6B-5um8G:
undetectable		 3kk6B-5um8G:
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.
5vu3 COMPETENCE
DAMAGE-INDUCIBLE
PROTEIN A

(Enterobacter
cloacae) 		PF02464
(CinA) 		5 VAL A 151
SER A 159
PHE A 129
ILE A 109
GLY A 111
 None
 1.05A 3kk6B-5vu3A:
undetectable		 3kk6B-5vu3A:
14.60
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 5 LEU A  50
PHE A 124
ILE A  35
GLY A  39
SER A  43
 None
 1.22A 3kk6B-5w7kA:
undetectable		 3kk6B-5w7kA:
9.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 VAL A  62
LEU A  76
ILE A 161
GLY A 159
SER A  57
 None
 1.04A 3kk6B-5x7fA:
undetectable		 3kk6B-5x7fA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xog RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE

(Komagataella
phaffii) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 VAL C 113
LEU C 144
LEU C 147
SER C  63
ILE C 155
 None
 0.99A 3kk6B-5xogC:
undetectable		 3kk6B-5xogC:
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.
5z43 AMBP1

(Fischerella
ambigua) 		no annotation 5 VAL A 107
TYR A 162
LEU A 115
ILE A  93
GLY A  70
 None
 1.01A 3kk6B-5z43A:
undetectable		 3kk6B-5z43A:
9.62
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 VAL A 732
LEU A 734
PHE A 744
ILE A 694
GLY A 772
 None
 1.26A 3kk6B-5z9sA:
undetectable		 3kk6B-5z9sA:
9.39
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.
6ch3 FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Salmonella
enterica) 		no annotation 5 HIS A 491
VAL A 367
LEU A 371
ILE A 420
GLY A 364
 None
 1.14A 3kk6B-6ch3A:
undetectable		 3kk6B-6ch3A:
10.69
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 5 VAL A 284
LEU A 309
SER A 168
ILE A   8
GLY A   9
 None
None
None
None
FAD  A 401 (-3.4A)
 1.11A 3kk6B-6dllA:
undetectable		 3kk6B-6dllA:
10.08
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.
6e9p -

(-) 		no annotation 5 LEU A 130
LEU A 124
ILE A  55
GLY A 101
SER A  97
 None
 1.24A 3kk6B-6e9pA:
undetectable		 3kk6B-6e9pA:
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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Trypanosoma
brucei) 		no annotation 5 VAL A 212
LEU A 278
ILE A 172
GLY A 175
SER A 333
 None
 1.23A 3kk6B-6f5dA:
undetectable		 3kk6B-6f5dA:
8.91