SIMILAR PATTERNS OF AMINO ACIDS FOR 3KK6_A_CELA701_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 3kk6A-1b43A:
0.4		 3kk6A-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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 228
SER A 136
PHE A 139
GLY A 219
ALA A 218
 None
 1.10A 3kk6A-1bhyA:
0.0		 3kk6A-1bhyA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dkp PHYTASE

(Escherichia
coli) 		PF00328
(His_Phos_2) 		5 VAL A  32
LEU A 177
LEU A 170
GLY A 209
ALA A 210
 None
 1.00A 3kk6A-1dkpA:
undetectable		 3kk6A-1dkpA:
20.31
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 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
ALA A 527
 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)
SCL  A 700 (-2.9A)
 0.51A 3kk6A-1ebvA:
59.7		 3kk6A-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.
1gyc LACCASE 2

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A 349
LEU A 353
ILE A 355
GLY A 358
ALA A 359
 None
 1.07A 3kk6A-1gycA:
0.0		 3kk6A-1gycA:
21.93
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.
1i5n CHEMOTAXIS PROTEIN
CHEA

(Salmonella
enterica) 		PF01627
(Hpt) 		5 GLN A  99
LEU A 102
ILE A  50
GLY A  53
ALA A  54
 None
 1.06A 3kk6A-1i5nA:
undetectable		 3kk6A-1i5nA:
13.36
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.
1i6q LACTOFERRIN

(Camelus
dromedarius) 		PF00405
(Transferrin) 		5 VAL A 384
LEU A 385
ILE A 401
GLY A 403
ALA A 402
 None
 1.12A 3kk6A-1i6qA:
0.0		 3kk6A-1i6qA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A 511
LEU A 504
SER A 529
GLY A 538
ALA A 467
 None
 1.03A 3kk6A-1itkA:
0.0		 3kk6A-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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 VAL A 507
LEU A 511
LEU A 504
GLY A 538
ALA A 467
 None
 1.13A 3kk6A-1itkA:
0.0		 3kk6A-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
 1.04A 3kk6A-1j71A:
undetectable		 3kk6A-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.
1od5 GLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		5 LEU A 146
LEU A 421
SER A 368
GLY A  44
ALA A  43
 None
 1.11A 3kk6A-1od5A:
0.0		 3kk6A-1od5A:
21.27
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.
1qlm METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE

(Methanopyrus
kandleri) 		PF02289
(MCH) 		5 LEU A 310
PHE A  68
ILE A 305
GLY A 234
ALA A 287
 None
 1.06A 3kk6A-1qlmA:
undetectable		 3kk6A-1qlmA:
18.64
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.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 195
LEU A 210
SER A 245
ILE A 250
GLY A 254
SER A 256
 None
 1.18A 3kk6A-1s9iA:
undetectable		 3kk6A-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.
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
 1.14A 3kk6A-1u2vG:
undetectable		 3kk6A-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.
1vsq MANNOSE-SPECIFIC
PHOSPHOTRANSFERASE
ENZYME IIB COMPONENT

(Escherichia
coli) 		PF03830
(PTSIIB_sorb) 		5 VAL C 250
LEU C 253
LEU C 294
ILE C 164
ALA C 167
 None
 0.99A 3kk6A-1vsqC:
undetectable		 3kk6A-1vsqC:
15.09
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.
1y7x MAJOR VAULT PROTEIN

(Homo sapiens) 		PF01505
(Vault) 		5 LEU A  66
LEU A  36
ILE A  59
GLY A  94
ALA A  95
 None
 1.05A 3kk6A-1y7xA:
undetectable		 3kk6A-1y7xA:
11.07
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.
1y7x MAJOR VAULT PROTEIN

(Homo sapiens) 		PF01505
(Vault) 		5 VAL A  90
LEU A  66
ILE A  59
GLY A  94
ALA A  95
 None
 1.13A 3kk6A-1y7xA:
undetectable		 3kk6A-1y7xA:
11.07
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.
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
 1.04A 3kk6A-1zapA:
undetectable		 3kk6A-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.
2a1r POLY(A)-SPECIFIC
RIBONUCLEASE PARN

(Homo sapiens) 		PF01424
(R3H)
PF04857
(CAF1) 		5 VAL A 284
LEU A 322
ILE A 274
ALA A 278
SER A 280
 None
 0.96A 3kk6A-2a1rA:
undetectable		 3kk6A-2a1rA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.09A 3kk6A-2c81A:
0.3		 3kk6A-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.
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
 1.11A 3kk6A-2ehbD:
undetectable		 3kk6A-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.
2g0j HYPOTHETICAL PROTEIN
SMU.848

(Streptococcus
mutans) 		PF04327
(Peptidase_Prp) 		5 VAL A  32
SER A  40
ILE A  93
ALA A  97
SER A 100
 None
 1.13A 3kk6A-2g0jA:
undetectable		 3kk6A-2g0jA:
12.20
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		5 TYR A 315
LEU A 183
SER A 336
ILE A 170
GLY A 172
 None
 1.09A 3kk6A-2h6tA:
undetectable		 3kk6A-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.
2lp4 CHEMOTAXIS PROTEIN
CHEA

(Escherichia
coli) 		PF01627
(Hpt)
PF09078
(CheY-binding) 		5 GLN A  99
LEU A 102
ILE A  50
GLY A  53
ALA A  54
 None
 1.06A 3kk6A-2lp4A:
undetectable		 3kk6A-2lp4A:
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.
2m89 AHA1 DOMAIN PROTEIN

(Colwellia
psychrerythraea) 		PF08327
(AHSA1) 		5 VAL A  58
LEU A  61
PHE A  47
GLY A  37
ALA A  38
 None
 1.11A 3kk6A-2m89A:
undetectable		 3kk6A-2m89A:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nn6 EXOSOME COMPONENT 6

(Homo sapiens) 		PF01138
(RNase_PH) 		5 VAL F  62
LEU F  55
LEU F 150
GLY F 182
ALA F 159
 None
 0.88A 3kk6A-2nn6F:
undetectable		 3kk6A-2nn6F:
19.08
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.
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
 0.85A 3kk6A-2pvqA:
undetectable		 3kk6A-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 3kk6A-2qzwA:
undetectable		 3kk6A-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.
2rau PUTATIVE ESTERASE

(Sulfolobus
solfataricus) 		PF12146
(Hydrolase_4) 		5 VAL A 345
LEU A 349
SER A 318
GLY A 149
ALA A 148
 None
 1.12A 3kk6A-2rauA:
undetectable		 3kk6A-2rauA:
21.08
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 VAL A 473
LEU A 477
ILE A 535
GLY A 538
ALA A 539
 None
 1.05A 3kk6A-2wghA:
undetectable		 3kk6A-2wghA:
20.96
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.
2ywd GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermus
thermophilus) 		PF01174
(SNO) 		5 VAL A 161
LEU A 160
LEU A 144
GLY A  79
ALA A  84
 None
 1.10A 3kk6A-2ywdA:
undetectable		 3kk6A-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.
3a3u MENAQUINONE
BIOSYNTHETIC ENZYME

(Thermus
thermophilus) 		PF02621
(VitK2_biosynth) 		5 VAL A 250
LEU A 253
LEU A 270
GLY A 177
ALA A 178
 None
None
None
TLA  A 401 ( 4.4A)
None
 1.04A 3kk6A-3a3uA:
undetectable		 3kk6A-3a3uA:
19.46
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		6 LEU A 100
TRP A 451
PHE A  28
ILE A  42
GLY A  41
ALA A  43
 None
 1.27A 3kk6A-3axiA:
undetectable		 3kk6A-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.
3bpo INTERLEUKIN 13

(Homo sapiens) 		PF03487
(IL13) 		5 LEU A 103
SER A  50
ILE A  37
GLY A  42
ALA A  41
 LEU  A 103 ( 0.6A)
SER  A  50 ( 0.0A)
ILE  A  37 ( 0.4A)
GLY  A  42 ( 0.0A)
ALA  A  41 ( 0.0A)
 1.07A 3kk6A-3bpoA:
undetectable		 3kk6A-3bpoA:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c1x HEPATOCYTE GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLN A1067
VAL A1063
LEU A1058
ILE A1145
GLY A1128
 None
 1.03A 3kk6A-3c1xA:
undetectable		 3kk6A-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.
3d45 POLY(A)-SPECIFIC
RIBONUCLEASE PARN

(Mus musculus) 		PF01424
(R3H)
PF04857
(CAF1)
PF08675
(RNA_bind) 		5 VAL A 277
LEU A 315
ILE A 267
ALA A 271
SER A 273
 None
 0.91A 3kk6A-3d45A:
undetectable		 3kk6A-3d45A:
20.96
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.
3ddm PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 136
SER A 319
PHE A 288
ILE A 122
ALA A 123
 None
 1.08A 3kk6A-3ddmA:
undetectable		 3kk6A-3ddmA:
21.45
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.
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 3kk6A-3fv3A:
undetectable		 3kk6A-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.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609

(Methanocaldococcus
jannaschii) 		PF13520
(AA_permease_2) 		5 LEU C 162
ILE C 276
GLY C 279
ALA C 280
SER C 283
 None
 0.95A 3kk6A-3gi8C:
undetectable		 3kk6A-3gi8C:
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.
3gmf PROTEIN-DISULFIDE
ISOMERASE

(Novosphingobium
aromaticivorans) 		PF13462
(Thioredoxin_4) 		5 LEU A 237
SER A  78
ILE A  94
GLY A  52
ALA A  93
 None
 1.06A 3kk6A-3gmfA:
undetectable		 3kk6A-3gmfA:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 VAL A1201
LEU A1202
LEU A1136
ILE A1262
GLY A1117
ALA A1120
 None
 1.37A 3kk6A-3lw0A:
undetectable		 3kk6A-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.
3n3u ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE IBPA

(Histophilus
somni) 		PF02661
(Fic) 		5 LEU A3502
PHE A3691
GLY A3706
ALA A3707
SER A3703
 None
 1.01A 3kk6A-3n3uA:
undetectable		 3kk6A-3n3uA:
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.
3ot6 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF00378
(ECH_1) 		5 GLN A  79
VAL A  30
LEU A   4
GLY A  60
ALA A  25
 None
 1.08A 3kk6A-3ot6A:
undetectable		 3kk6A-3ot6A:
16.84
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.
3q4n UNCHARACTERIZED
PROTEIN MJ0754

(Methanocaldococcus
jannaschii) 		PF09968
(DUF2202) 		5 GLN A 164
LEU A 154
GLY A  98
ALA A 105
SER A 101
 None
 1.06A 3kk6A-3q4nA:
undetectable		 3kk6A-3q4nA:
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.
3qd7 UNCHARACTERIZED
PROTEIN YDAL

(Escherichia
coli) 		PF01713
(Smr) 		5 VAL X 138
LEU X 142
ILE X 120
GLY X 162
ALA X 163
 None
 1.08A 3kk6A-3qd7X:
undetectable		 3kk6A-3qd7X:
15.19
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 TYR A 465
SER A  71
ILE A 426
GLY A 189
ALA A 190
 FAD  A 501 ( 4.3A)
FAD  A 501 (-4.3A)
None
None
None
 1.12A 3kk6A-3rj8A:
undetectable		 3kk6A-3rj8A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 3kk6A-3rkxA:
0.9		 3kk6A-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.
3rr1 PUTATIVE
D-GALACTONATE
DEHYDRATASE

(Ralstonia
pickettii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 172
PHE A 174
ILE A 129
GLY A 131
ALA A 130
 None
 1.00A 3kk6A-3rr1A:
undetectable		 3kk6A-3rr1A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sn0 PUTATIVE
L-ALANINE-DL-GLUTAMA
TE EPIMERASE

(Paraburkholderia
xenovorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A  47
LEU A  51
PHE A  66
GLY A  87
ALA A  88
 None
 1.04A 3kk6A-3sn0A:
undetectable		 3kk6A-3sn0A:
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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		5 GLN A  13
VAL A  60
LEU A 264
PHE A  27
ALA A 313
 None
 1.14A 3kk6A-3ucqA:
undetectable		 3kk6A-3ucqA:
21.45
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.
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 3kk6A-3up4A:
undetectable		 3kk6A-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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		5 LEU A 564
LEU A 557
SER A 581
GLY A 590
ALA A 520
 None
 1.08A 3kk6A-3ut2A:
undetectable		 3kk6A-3ut2A:
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.
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
 1.08A 3kk6A-3vgfA:
undetectable		 3kk6A-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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 SER A 427
ILE A 226
GLY A 382
ALA A 383
SER A 328
 None
 0.96A 3kk6A-3w3aA:
undetectable		 3kk6A-3w3aA:
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.
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
 1.00A 3kk6A-3wigA:
undetectable		 3kk6A-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.
3wme ATP-BINDING
CASSETTE, SUB-FAMILY
B, MEMBER 1

(Cyanidioschyzon
merolae) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 LEU A 196
PHE A 414
ILE A 109
ALA A 113
SER A 116
 None
 1.05A 3kk6A-3wmeA:
undetectable		 3kk6A-3wmeA:
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.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		5 LEU A 510
LEU A 503
SER A 520
GLY A 529
ALA A 466
 None
 1.06A 3kk6A-3wxoA:
undetectable		 3kk6A-3wxoA:
20.89
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.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Corynebacterium
glutamicum;
Klebsiella
pneumoniae) 		PF13561
(adh_short_C2) 		5 VAL A 159
LEU A 162
ILE A 134
GLY A 117
SER A 113
 None
 1.11A 3kk6A-3wyeA:
undetectable		 3kk6A-3wyeA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.12A 3kk6A-4chdA:
undetectable		 3kk6A-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
 1.04A 3kk6A-4d8mA:
undetectable		 3kk6A-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.
4hc6 HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE

(Mycobacterium
tuberculosis) 		PF01648
(ACPS) 		5 LEU A 105
LEU A  75
GLY A   5
ALA A  63
SER A  67
 None
BR  A 211 ( 4.6A)
None
None
None
 1.03A 3kk6A-4hc6A:
1.4		 3kk6A-4hc6A:
14.05
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.
4hou INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 1

(Homo sapiens) 		PF13181
(TPR_8)
PF13424
(TPR_12) 		5 LEU A 168
PHE A  45
ILE A 219
ALA A 182
SER A 184
 None
 1.13A 3kk6A-4houA:
undetectable		 3kk6A-4houA:
19.41
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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 5 VAL B 176
PHE B 356
GLY B 274
ALA B 273
SER B  54
 None
 1.10A 3kk6A-4iu9B:
undetectable		 3kk6A-4iu9B:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		5 VAL A 178
PHE A 359
GLY A 276
ALA A 275
SER A  56
 None
 1.02A 3kk6A-4jreA:
undetectable		 3kk6A-4jreA:
21.78
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.
4l0c DEFORMYLASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		5 LEU A  78
LEU A  71
SER A 108
GLY A  92
ALA A  97
 None
 1.02A 3kk6A-4l0cA:
undetectable		 3kk6A-4l0cA:
18.91
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.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 GLN A 166
VAL A 158
LEU A 154
GLY A 203
ALA A 428
 None
 1.13A 3kk6A-4l4xA:
undetectable		 3kk6A-4l4xA:
20.67
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.
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
 1.10A 3kk6A-4lswA:
undetectable		 3kk6A-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.
4luj OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00215
(OMPdecase) 		5 VAL A  47
LEU A  24
ILE A 209
GLY A 211
ALA A  27
 None
None
BMP  A 301 ( 4.4A)
BMP  A 301 (-3.5A)
BMP  A 301 ( 3.7A)
 1.00A 3kk6A-4lujA:
undetectable		 3kk6A-4lujA:
16.42
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.
4nbq POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Coxiella
burnetii) 		PF00013
(KH_1)
PF00575
(S1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 VAL A  60
LEU A  58
ILE A 130
GLY A 132
ALA A 133
 None
 1.04A 3kk6A-4nbqA:
undetectable		 3kk6A-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.
4ow8 SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		5 VAL A 245
LEU A 248
LEU A 241
PHE A 267
ALA A 118
 None
 0.98A 3kk6A-4ow8A:
undetectable		 3kk6A-4ow8A:
19.50
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)
 0.93A 3kk6A-4ph9A:
57.1		 3kk6A-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 GLN A 193
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TRP A 388
GLY A 527
ALA A 528
SER A 531
 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 (-3.4A)
IBP  A 601 ( 3.3A)
 0.71A 3kk6A-4ph9A:
57.1		 3kk6A-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
 1.13A 3kk6A-4r7yA:
undetectable		 3kk6A-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.
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
 1.05A 3kk6A-4y9wA:
undetectable		 3kk6A-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.
4yxm DNA INTEGRITY
SCANNING PROTEIN
DISA

(Thermotoga
maritima) 		PF00633
(HHH)
PF02457
(DisA_N)
PF10635
(DisA-linker) 		5 GLN A 146
LEU A  24
GLY A  37
ALA A  38
SER A  72
 None
 1.11A 3kk6A-4yxmA:
undetectable		 3kk6A-4yxmA:
21.33
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.
5che PROTEIN FLUORESCENT
IN BLUE LIGHT,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13424
(TPR_12) 		5 VAL E 270
LEU E 271
ILE E 290
GLY E 288
ALA E 289
 None
 0.92A 3kk6A-5cheE:
undetectable		 3kk6A-5cheE:
15.37
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.
5g3y ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 VAL A  63
LEU A  67
SER A  30
GLY A  46
ALA A  49
 None
None
ADP  A1216 ( 4.8A)
None
None
 0.98A 3kk6A-5g3yA:
undetectable		 3kk6A-5g3yA:
21.10
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) 		7 GLN A 192
VAL A 349
LEU A 352
TRP A 387
PHE A 518
GLY A 526
SER A 530
 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)
 0.85A 3kk6A-5ikrA:
57.1		 3kk6A-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 GLN A 192
VAL A 349
LEU A 352
TYR A 355
LEU A 359
TRP A 387
GLY A 526
ALA A 527
SER A 530
 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 (-3.5A)
ID8  A 601 (-2.7A)
 0.58A 3kk6A-5ikrA:
57.1		 3kk6A-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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		5 GLN A 277
VAL A 324
LEU A 364
ILE A 272
SER A 140
 None
GOL  A1003 ( 4.7A)
GOL  A1002 (-4.4A)
ACT  A1001 (-4.4A)
GOL  A1003 (-2.1A)
 1.11A 3kk6A-5j78A:
undetectable		 3kk6A-5j78A:
21.52
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.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		5 SER A 420
ILE A 436
GLY A 439
ALA A 440
SER A 443
 None
AMP  A 501 (-4.7A)
None
None
None
 1.08A 3kk6A-5kkgA:
1.4		 3kk6A-5kkgA:
23.04
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 LEU A 528
LEU A 521
SER A 546
GLY A 555
ALA A 484
 None
 1.11A 3kk6A-5kqiA:
undetectable		 3kk6A-5kqiA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 TYR A 488
SER A  95
ILE A 449
GLY A 212
ALA A 213
 FAD  A 501 ( 4.4A)
FAD  A 501 (-4.5A)
None
None
None
 1.04A 3kk6A-5l6fA:
undetectable		 3kk6A-5l6fA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 VAL A1960
LEU A1957
SER A1868
GLY A1850
ALA A1853
 None
 1.06A 3kk6A-5m5pA:
undetectable		 3kk6A-5m5pA:
15.00
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.
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
 1.12A 3kk6A-5neuA:
undetectable		 3kk6A-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
 0.95A 3kk6A-5ojsT:
undetectable		 3kk6A-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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 VAL A 473
LEU A 477
ILE A 535
GLY A 538
ALA A 539
 None
 1.11A 3kk6A-5tusA:
undetectable		 3kk6A-5tusA:
21.66
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.
5um2 ABC TRANSPORTER
SULFATE BINDING
PROTEIN

(Xanthomonas
citri) 		PF13531
(SBP_bac_11) 		5 LEU A 190
TRP A 343
SER A 268
GLY A 183
ALA A 185
 None
None
None
SO4  A 401 (-3.5A)
None
 1.12A 3kk6A-5um2A:
undetectable		 3kk6A-5um2A:
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.
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
 1.13A 3kk6A-5um8G:
undetectable		 3kk6A-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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 5 LEU A  50
PHE A 124
ILE A  35
GLY A  39
SER A  43
 None
 1.03A 3kk6A-5w7kA:
undetectable		 3kk6A-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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 5 LEU A 528
LEU A 521
SER A 545
GLY A 554
ALA A 484
 None
 1.07A 3kk6A-5whsA:
undetectable		 3kk6A-5whsA:
8.67
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.
5wwo ESSENTIAL NUCLEAR
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF05291
(Bystin) 		5 VAL A 307
LEU A 283
ILE A 337
GLY A 339
ALA A 338
 None
 1.09A 3kk6A-5wwoA:
undetectable		 3kk6A-5wwoA:
20.38
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.
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
 1.10A 3kk6A-5x7fA:
undetectable		 3kk6A-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
 1.00A 3kk6A-5xogC:
undetectable		 3kk6A-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
 1.04A 3kk6A-5z43A:
undetectable		 3kk6A-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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLN A 237
SER A 233
ILE A 423
ALA A 427
SER A 428
 None
 1.13A 3kk6A-6aonA:
0.7		 3kk6A-6aonA:
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.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A 245
LEU A 248
LEU A 241
PHE A 267
ALA A 118
 None
 0.93A 3kk6A-6b2qA:
undetectable		 3kk6A-6b2qA:
9.81
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 VAL A  89
LEU A  88
LEU A  93
GLY A 110
ALA A 113
 None
None
None
CL  A 401 (-3.5A)
CL  A 401 (-3.8A)
 1.12A 3kk6A-6bq6A:
undetectable		 3kk6A-6bq6A:
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.
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)
 1.12A 3kk6A-6dllA:
undetectable		 3kk6A-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.
6fai ESSENTIAL NUCLEAR
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 5 VAL i 307
LEU i 283
ILE i 337
GLY i 339
ALA i 338
 None
None
U  21269 ( 3.8A)
None
None
 1.07A 3kk6A-6faii:
undetectable		 3kk6A-6faii:
8.32