SIMILAR PATTERNS OF AMINO ACIDS FOR 4NKV_B_AERB601

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.
1aug PYROGLUTAMYL
PEPTIDASE-1

(Bacillus
amyloliquefaciens) 		PF01470
(Peptidase_C15) 		5 LEU A 151
ALA A  84
ILE A  66
ILE A  67
GLY A 116
 None
 0.88A 4nkvB-1augA:
undetectable		 4nkvB-1augA:
17.89
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.
1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89

(Zoogloea
ramigera) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 LEU A 300
ALA A 386
ILE A 307
LEU A 310
VAL A 313
 None
 0.96A 4nkvB-1dm3A:
undetectable		 4nkvB-1dm3A:
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.
1iom CITRATE SYNTHASE

(Thermus
thermophilus) 		PF00285
(Citrate_synt) 		5 LEU A 203
ALA A 193
ILE A 125
LEU A 124
GLY A 343
 None
 0.75A 4nkvB-1iomA:
0.0		 4nkvB-1iomA:
20.20
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		5 LEU A  41
ASN A 190
ILE A 193
LEU A 197
VAL A 115
 None
 0.93A 4nkvB-1jqoA:
0.0		 4nkvB-1jqoA:
19.67
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.
1jx7 HYPOTHETICAL PROTEIN
YCHN

(Escherichia
coli) 		PF02635
(DrsE) 		5 ALA A   8
LEU A  68
ALA A  48
VAL A  75
VAL A  96
 None
 0.98A 4nkvB-1jx7A:
undetectable		 4nkvB-1jx7A:
13.13
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 225
ILE A 121
ALA A 298
THR A 132
VAL A 123
 None
 0.99A 4nkvB-1p31A:
undetectable		 4nkvB-1p31A:
21.89
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.
1pff METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 243
ILE A 202
ALA A  91
VAL A 222
VAL A 204
 None
 0.95A 4nkvB-1pffA:
undetectable		 4nkvB-1pffA:
19.72
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.
1qgo ANAEROBIC COBALAMIN
BIOSYNTHETIC COBALT
CHELATASE

(Salmonella
enterica) 		PF06180
(CbiK) 		5 ILE A  84
ILE A  85
LEU A 114
GLY A 144
ALA A 173
 None
SO4  A 400 ( 4.2A)
None
None
None
 0.97A 4nkvB-1qgoA:
undetectable		 4nkvB-1qgoA:
21.19
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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		5 LEU A 621
ILE A 460
LEU A 464
ALA A 444
THR A 474
 None
 0.94A 4nkvB-1su7A:
0.0		 4nkvB-1su7A:
21.63
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.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		5 LEU A  59
ALA A  56
LEU A  85
GLY A  12
VAL A  69
 None
 0.97A 4nkvB-1tltA:
undetectable		 4nkvB-1tltA:
22.29
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.
1uy4 ENDO-1,4-BETA-XYLANA
SE A

([Clostridium]
stercorarium) 		PF03422
(CBM_6) 		5 ALA A  74
PHE A  72
ILE A  63
ALA A  26
VAL A  58
 None
 0.94A 4nkvB-1uy4A:
undetectable		 4nkvB-1uy4A:
15.03
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 ALA A 394
ILE A 342
ILE A 316
VAL A 331
VAL A 318
 None
 0.90A 4nkvB-1x0uA:
undetectable		 4nkvB-1x0uA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y97 THREE PRIME REPAIR
EXONUCLEASE 2

(Homo sapiens) 		no annotation 5 ALA A  96
ILE A  27
LEU A  30
GLY A  92
ALA A  91
 None
 0.90A 4nkvB-1y97A:
undetectable		 4nkvB-1y97A:
19.26
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.
2a5h L-LYSINE
2,3-AMINOMUTASE

(Clostridium
subterminale) 		PF04055
(Radical_SAM)
PF12544
(LAM_C) 		5 ILE A 184
ILE A 185
LEU A 188
VAL A 197
VAL A 225
 None
 0.96A 4nkvB-2a5hA:
undetectable		 4nkvB-2a5hA:
22.52
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.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ILE B 416
LEU B 417
GLY B 436
ALA B 439
VAL B 409
 None
 0.96A 4nkvB-2bkuB:
undetectable		 4nkvB-2bkuB:
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 ASN A  95
ILE A  97
ALA A  88
VAL A  42
VAL A  99
 None
 0.98A 4nkvB-2d3lA:
undetectable		 4nkvB-2d3lA:
22.43
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 210
ILE A 249
ILE A 246
LEU A 250
VAL A 255
 None
 1.00A 4nkvB-2dphA:
undetectable		 4nkvB-2dphA:
21.80
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.
2gko SUBTILISIN
MICROBIAL SERINE
PROTEINASES

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 ALA A  79
ILE A 262
GLY A  25
ALA A  96
VAL A 134
 None
 0.95A 4nkvB-2gkoA:
undetectable		 4nkvB-2gkoA:
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.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 ALA A 269
LEU A 261
ALA A 253
THR A 251
VAL A 283
 NAP  A   1 ( 4.8A)
None
NAP  A   1 (-3.5A)
None
None
 0.97A 4nkvB-2ipjA:
undetectable		 4nkvB-2ipjA:
22.99
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.
2jg2 SERINE
PALMITOYLTRANSFERASE

(Sphingomonas
paucimobilis) 		PF00155
(Aminotran_1_2) 		5 PHE A 409
ILE A  68
LEU A  70
GLY A 370
VAL A 374
 None
 0.96A 4nkvB-2jg2A:
undetectable		 4nkvB-2jg2A:
20.93
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.
2mgz PROTEIN ASD-1,
ISOFORM A

(Caenorhabditis
elegans) 		PF00076
(RRM_1) 		5 LEU A 116
PHE A 120
ILE A 107
THR A 162
VAL A 171
 None
None
G  C   2 ( 4.8A)
None
None
 0.94A 4nkvB-2mgzA:
undetectable		 4nkvB-2mgzA:
12.64
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.
2oce HYPOTHETICAL PROTEIN
PA5201

(Pseudomonas
aeruginosa) 		PF00575
(S1)
PF09371
(Tex_N)
PF12836
(HHH_3)
PF16921
(Tex_YqgF) 		5 LEU A  60
ILE A   8
LEU A  12
ALA A  27
VAL A  20
 None
 0.87A 4nkvB-2oceA:
undetectable		 4nkvB-2oceA:
21.94
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.
2oxl HYPOTHETICAL PROTEIN
YMGB

(Escherichia
coli) 		PF10798
(YmgB) 		5 LEU A  34
ASN A  50
ILE A  53
ILE A  54
LEU A  57
 None
 0.58A 4nkvB-2oxlA:
undetectable		 4nkvB-2oxlA:
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.
2p4h VESTITONE REDUCTASE

(Medicago sativa) 		PF01370
(Epimerase) 		5 ILE X  21
ILE X  22
LEU X  25
THR X  35
VAL X  32
 None
 0.83A 4nkvB-2p4hX:
undetectable		 4nkvB-2p4hX:
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.
2pzd SERINE PROTEASE
HTRA2

(Homo sapiens) 		PF13180
(PDZ_2) 		5 ILE A 413
ILE A 393
ALA A 405
VAL A 364
VAL A 396
 None
 0.88A 4nkvB-2pzdA:
undetectable		 4nkvB-2pzdA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r7a BACTERIAL HEME
BINDING PROTEIN

(Shigella
dysenteriae) 		PF01497
(Peripla_BP_2) 		6 LEU A 116
ILE A 186
LEU A 189
GLY A 260
VAL A 267
VAL A 266
 None
 1.05A 4nkvB-2r7aA:
undetectable		 4nkvB-2r7aA:
20.12
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.
2r94 2-KETO-3-DEOXY-(6-PH
OSPHO-)GLUCONATE
ALDOLASE

(Thermoproteus
tenax) 		PF00701
(DHDPS) 		5 ASN A 176
LEU A 210
ALA A 160
VAL A 194
VAL A 172
 None
 1.00A 4nkvB-2r94A:
undetectable		 4nkvB-2r94A:
20.80
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.
2v3m NAF1

(Saccharomyces
cerevisiae) 		PF04410
(Gar1) 		5 LEU A 208
ILE A 151
ILE A 153
LEU A 143
GLY A 179
 None
 0.96A 4nkvB-2v3mA:
undetectable		 4nkvB-2v3mA:
13.77
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 238
ILE A 269
LEU A 270
ALA A 231
THR A 221
 None
 0.92A 4nkvB-2wd9A:
undetectable		 4nkvB-2wd9A:
21.54
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.
2xfb E2 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop) 		5 LEU B 175
ILE B 101
LEU B  98
THR B 160
VAL B 114
 None
 0.96A 4nkvB-2xfbB:
undetectable		 4nkvB-2xfbB:
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.
2xro HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGV

(Pseudomonas
putida) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		5 ILE A  53
ILE A  54
LEU A  57
ALA A  26
VAL A  63
 None
 0.99A 4nkvB-2xroA:
undetectable		 4nkvB-2xroA:
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.
3bq9 PREDICTED ROSSMANN
FOLD
NUCLEOTIDE-BINDING
DOMAIN-CONTAINING
PROTEIN

(Idiomarina
baltica) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		5 ILE A 234
ILE A 215
GLY A 256
ALA A 255
VAL A 396
 None
None
SO4  A 460 (-3.4A)
SO4  A 460 (-4.6A)
None
 1.00A 4nkvB-3bq9A:
undetectable		 4nkvB-3bq9A:
23.52
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.
3cax UNCHARACTERIZED
PROTEIN PF0695

(Pyrococcus
furiosus) 		PF01814
(Hemerythrin)
PF13596
(PAS_10) 		5 ALA A 146
PHE A 236
ILE A 214
ALA A 244
VAL A 169
 None
 0.90A 4nkvB-3caxA:
undetectable		 4nkvB-3caxA:
21.43
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 ILE A 616
ILE A 620
GLY A 595
ALA A 596
VAL A 624
 None
 0.95A 4nkvB-3cf4A:
undetectable		 4nkvB-3cf4A:
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.
3d7j UNCHARACTERIZED
PROTEIN SCO6650

(Streptomyces
coelicolor) 		PF01242
(PTPS) 		5 ALA A  36
LEU A 104
GLY A 113
VAL A  50
VAL A  49
 None
 0.92A 4nkvB-3d7jA:
undetectable		 4nkvB-3d7jA:
16.43
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.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		5 ALA A 274
ILE A  84
ILE A 152
LEU A 156
GLY A 239
 None
 0.77A 4nkvB-3dclA:
undetectable		 4nkvB-3dclA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dkn PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Canis lupus) 		PF00344
(SecY) 		6 ILE A 389
LEU A 386
GLY A 394
ALA A 395
THR A 216
VAL A 223
 None
 1.41A 4nkvB-3dknA:
undetectable		 4nkvB-3dknA:
22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 133
ILE A 183
LEU A 265
GLY A 300
ALA A 299
 None
None
None
HEM  A 500 (-3.4A)
HEM  A 500 ( 3.3A)
 0.72A 4nkvB-3e4eA:
43.3		 4nkvB-3e4eA:
31.70
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.
3hhg TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 LEU A 173
ILE A 254
ILE A 167
LEU A 256
VAL A 237
 None
 0.95A 4nkvB-3hhgA:
undetectable		 4nkvB-3hhgA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hno PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Nitrosospira
multiformis) 		PF00365
(PFK) 		5 LEU A 405
ALA A  41
PHE A  76
LEU A  68
GLY A  58
 None
 0.91A 4nkvB-3hnoA:
undetectable		 4nkvB-3hnoA:
23.32
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.
3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT

(Eubacterium
barkeri) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU C 163
LEU C 137
GLY C 113
VAL C 135
VAL C 172
 FAD  C 900 ( 4.7A)
None
FAD  C 900 (-3.3A)
None
None
 0.74A 4nkvB-3hrdC:
undetectable		 4nkvB-3hrdC:
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.
3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF00975
(Thioesterase) 		5 LEU A1868
ALA A1943
ILE A2104
ILE A2100
GLY A2034
 None
 0.93A 4nkvB-3ilsA:
undetectable		 4nkvB-3ilsA:
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.
3j81 US5

(Kluyveromyces
lactis) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 ILE C 135
ILE C 134
GLY C 128
VAL C 107
VAL C  85
 None
None
None
None
C  3  24 ( 4.0A)
 0.89A 4nkvB-3j81C:
undetectable		 4nkvB-3j81C:
20.17
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.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 PHE A 512
ILE A 474
ALA A 531
VAL A 488
VAL A 491
 None
 0.97A 4nkvB-3k1jA:
undetectable		 4nkvB-3k1jA:
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.
3k6g TELOMERIC
REPEAT-BINDING
FACTOR 2-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF11626
(Rap1_C) 		5 ILE A 317
ILE A 318
LEU A 321
GLY A 341
VAL A 332
 None
 0.97A 4nkvB-3k6gA:
undetectable		 4nkvB-3k6gA:
14.07
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.
3kq5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Coxiella
burnetii) 		PF07515
(TraI_2_C) 		5 LEU A 260
ILE A 292
LEU A 287
VAL A 285
VAL A 280
 None
 0.99A 4nkvB-3kq5A:
undetectable		 4nkvB-3kq5A:
23.35
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.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 LEU A 190
ALA A 105
ILE A  82
ILE A  83
LEU A  84
 None
 0.85A 4nkvB-3l2zA:
undetectable		 4nkvB-3l2zA:
21.60
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.
3lke ENOYL-COA HYDRATASE

(Bacillus
halodurans) 		PF00378
(ECH_1) 		5 LEU A  19
ALA A 106
LEU A  36
GLY A 116
VAL A  94
 None
 0.86A 4nkvB-3lkeA:
undetectable		 4nkvB-3lkeA:
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.
3mae 2-OXOISOVALERATE
DEHYDROGENASE E2
COMPONENT,
DIHYDROLIPOAMIDE
ACETYLTRANSFERASE

(Listeria
monocytogenes) 		PF00198
(2-oxoacid_dh) 		5 PHE A 397
ILE A 277
ILE A 279
ALA A 251
VAL A 333
 None
 0.99A 4nkvB-3maeA:
undetectable		 4nkvB-3maeA:
20.77
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.
3n40 P62 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop)
PF01563
(Alpha_E3_glycop) 		5 LEU P 175
ILE P 101
LEU P  98
THR P 160
VAL P 114
 None
None
None
ACT  P   2 (-3.4A)
None
 0.98A 4nkvB-3n40P:
undetectable		 4nkvB-3n40P:
21.36
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.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.47A 4nkvB-3pm0A:
41.0		 4nkvB-3pm0A:
29.69
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.
3pmc UNCHARACTERIZED
PROTEIN
PXO2-61/BXB0075/GBAA
_PXO2_0075

(Bacillus
anthracis) 		PF09385
(HisK_N) 		5 PHE A  50
ASN A  97
ILE A  98
LEU A   8
VAL A 113
 None
 1.00A 4nkvB-3pmcA:
undetectable		 4nkvB-3pmcA:
17.17
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.
3sqg METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(uncultured
archaeon) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ALA B 267
ASN B 326
ILE B 327
GLY B 309
ALA B 308
 None
 0.93A 4nkvB-3sqgB:
undetectable		 4nkvB-3sqgB:
24.05
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.
3sv0 CASEIN KINASE I-LIKE

(Oryza sativa) 		PF00069
(Pkinase) 		5 ASN A 133
ILE A 148
ILE A 147
ALA A 153
VAL A 119
 None
 0.99A 4nkvB-3sv0A:
undetectable		 4nkvB-3sv0A:
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.
3t32 AMINOTRANSFERASE,
CLASS I/II

(Bacillus
anthracis) 		PF00155
(Aminotran_1_2) 		5 LEU A 378
ALA A 298
ILE A 344
ILE A  27
VAL A 370
 None
 0.79A 4nkvB-3t32A:
undetectable		 4nkvB-3t32A:
20.31
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.
3t8q MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Hoeflea
phototrophica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  62
ALA A  48
LEU A  89
GLY A  53
VAL A  19
 None
 0.97A 4nkvB-3t8qA:
undetectable		 4nkvB-3t8qA:
20.92
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.
3tbh O-ACETYL SERINE
SULFHYDRYLASE

(Leishmania
donovani) 		PF00291
(PALP) 		5 ILE A 231
GLY A 253
ALA A 252
THR A 213
VAL A 210
 None
 0.83A 4nkvB-3tbhA:
undetectable		 4nkvB-3tbhA:
23.63
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 LEU A 480
ILE A 463
ILE A 464
LEU A 467
GLY A 541
 None
 0.92A 4nkvB-3txoA:
undetectable		 4nkvB-3txoA:
21.72
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.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LEU A 477
ASN A 202
ILE A 205
ILE A 206
LEU A 219
 None
 0.88A 4nkvB-3ue3A:
undetectable		 4nkvB-3ue3A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vov GLUCOKINASE

(Thermus
thermophilus) 		PF00480
(ROK) 		6 LEU A  43
LEU A  94
GLY A  64
ALA A 289
THR A 292
VAL A 102
 None
 1.27A 4nkvB-3vovA:
undetectable		 4nkvB-3vovA:
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.
4c0r PUTATIVE AMINO ACID
BINDING PROTEIN

(Streptococcus
mutans) 		PF00497
(SBP_bac_3) 		5 LEU A 145
ILE A 170
ILE A 171
VAL A  94
VAL A 181
 GDS  A 500 ( 3.3A)
None
None
None
None
 0.93A 4nkvB-4c0rA:
undetectable		 4nkvB-4c0rA:
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.
4dun PUTATIVE PHENAZINE
BIOSYNTHESIS
PHZC/PHZF PROTEIN

(Clostridioides
difficile) 		PF02567
(PhzC-PhzF) 		5 LEU A 167
ILE A 173
LEU A 144
GLY A 132
VAL A 138
 None
 0.94A 4nkvB-4dunA:
undetectable		 4nkvB-4dunA:
19.03
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.
4g09 HISTIDINOL
DEHYDROGENASE

(Brucella suis) 		PF00815
(Histidinol_dh) 		5 LEU A  61
LEU A  50
GLY A 188
ALA A 192
VAL A  41
 None
 0.96A 4nkvB-4g09A:
undetectable		 4nkvB-4g09A:
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.
4hqe TRANSCRIPTIONAL
REGULATOR QSRR

(Staphylococcus
aureus) 		PF01638
(HxlR) 		5 ASN A  20
ILE A  23
ILE A  24
LEU A  27
ALA A  60
 None
 0.83A 4nkvB-4hqeA:
undetectable		 4nkvB-4hqeA:
12.95
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 232
ALA A 208
PHE A 230
ILE A 109
LEU A 343
 None
 0.99A 4nkvB-4jb6A:
undetectable		 4nkvB-4jb6A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jlv C-TERMINAL FRAGMENT
OF MEMBRANE PROTEIN
CAPA1, PUTATIVE
UNCHARACTERIZED
PROTEIN CAPB1

(Staphylococcus
aureus) 		PF13614
(AAA_31) 		5 LEU A1044
ILE A1032
ILE A1028
GLY A1207
VAL A1058
 None
 0.86A 4nkvB-4jlvA:
undetectable		 4nkvB-4jlvA:
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.
4jm0 PROTEIN UL141

(Human
betaherpesvirus
5) 		PF16758
(UL141) 		5 ILE A  65
LEU A 129
GLY A 139
ALA A 138
VAL A  63
 None
 0.90A 4nkvB-4jm0A:
undetectable		 4nkvB-4jm0A:
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 LEU D 232
ALA D 208
PHE D 230
ILE D 109
LEU D 344
 None
 0.95A 4nkvB-4jrmD:
undetectable		 4nkvB-4jrmD:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 LEU D 232
PHE D 230
ILE D 109
LEU D 344
GLY D 202
 None
 0.95A 4nkvB-4jrmD:
undetectable		 4nkvB-4jrmD:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kp2 HOMOACONITASE LARGE
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 ALA A 184
GLY A 219
ALA A 211
VAL A 175
VAL A 172
 None
 0.98A 4nkvB-4kp2A:
undetectable		 4nkvB-4kp2A:
24.10
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.
4n40 PROTEIN ECT2

(Homo sapiens) 		PF00533
(BRCT)
PF12738
(PTCB-BRCT) 		5 LEU A  55
ILE A  66
LEU A  65
GLY A  75
VAL A 123
 None
 0.84A 4nkvB-4n40A:
undetectable		 4nkvB-4n40A:
19.56
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		5 ASN A1215
ILE A1218
ILE A1219
LEU A1222
VAL A1166
 None
 0.76A 4nkvB-4n78A:
undetectable		 4nkvB-4n78A:
18.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		12 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
ILE A 206
LEU A 209
GLY A 301
ALA A 302
THR A 306
VAL A 482
VAL A 483
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 4.8A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.28A 4nkvB-4nkyA:
63.3		 4nkvB-4nkyA:
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.
4q16 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Deinococcus
radiodurans) 		PF02540
(NAD_synthase) 		5 LEU A 173
ILE A  15
ILE A  16
ALA A 242
VAL A  21
 None
 0.84A 4nkvB-4q16A:
undetectable		 4nkvB-4q16A:
19.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		8 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.53A 4nkvB-4r1zA:
51.1		 4nkvB-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		8 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 494
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 0.53A 4nkvB-4r1zA:
51.1		 4nkvB-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		8 ALA A 120
PHE A 121
ASN A 209
ILE A 212
GLY A 301
ALA A 302
THR A 306
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
None
 0.66A 4nkvB-4r20A:
49.6		 4nkvB-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 ASN A 209
ILE A 212
ALA A 302
THR A 306
VAL A 480
VAL A 481
 AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.72A 4nkvB-4r20A:
49.6		 4nkvB-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 LEU A 112
ASN A 209
ILE A 212
THR A 306
VAL A 480
VAL A 481
 AER  A 602 ( 4.8A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.94A 4nkvB-4r20A:
49.6		 4nkvB-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		7 LEU A 112
PHE A 121
ASN A 209
ILE A 212
GLY A 301
THR A 306
VAL A 481
 AER  A 602 ( 4.8A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 ( 3.3A)
None
 0.85A 4nkvB-4r20A:
49.6		 4nkvB-4r20A:
44.09
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ILE A  77
LEU A  80
GLY A  54
ALA A  90
VAL A 153
 POL  A 706 ( 4.1A)
None
None
None
None
 0.88A 4nkvB-4uzsA:
undetectable		 4nkvB-4uzsA:
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.
4xz7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
suis) 		PF01841
(Transglut_core) 		5 ALA A 300
ILE A 236
LEU A 239
VAL A 262
VAL A 259
 None
 0.84A 4nkvB-4xz7A:
undetectable		 4nkvB-4xz7A:
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 LEU A 607
ALA A 518
ILE A 489
ILE A 485
LEU A 486
 None
 1.00A 4nkvB-4zxiA:
undetectable		 4nkvB-4zxiA:
17.81
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.
5ay7 XYLANASE

(Aegilops
speltoides) 		PF00331
(Glyco_hydro_10) 		5 LEU A 241
ILE A 291
LEU A 284
ALA A 228
VAL A 283
 None
 0.99A 4nkvB-5ay7A:
undetectable		 4nkvB-5ay7A:
19.17
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.
5b0u OPLOPHORUS-LUCIFERIN
2-MONOOXYGENASE
CATALYTIC SUBUNIT

(Oplophorus
gracilirostris) 		no annotation 5 LEU A  30
ILE A  76
GLY A  71
VAL A  90
VAL A  80
 None
 0.93A 4nkvB-5b0uA:
undetectable		 4nkvB-5b0uA:
18.29
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		5 ASN A 186
ILE A 189
GLY A 182
VAL A 202
VAL A 253
 None
None
PLP  A 401 (-3.4A)
None
None
 1.00A 4nkvB-5c3uA:
undetectable		 4nkvB-5c3uA:
21.17
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.
5cca ENDORIBONUCLEASE
MAZF3

(Mycobacterium
tuberculosis) 		PF02452
(PemK_toxin) 		5 ILE A  68
LEU A  73
ALA A  33
THR A  65
VAL A  30
 None
 0.95A 4nkvB-5ccaA:
undetectable		 4nkvB-5ccaA:
16.04
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.
5d9t DEHYDROASCORBATE
REDUCTASE

(Oryza sativa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 LEU A  30
ILE A  81
ILE A  77
GLY A  65
VAL A  62
 None
 0.98A 4nkvB-5d9tA:
undetectable		 4nkvB-5d9tA:
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.
5ftf TPR DOMAIN PROTEIN

(Bacteroides sp.
3_1_23) 		PF05970
(PIF1) 		5 ILE A 118
ILE A 114
LEU A 115
ALA A  53
THR A  55
 None
 0.97A 4nkvB-5ftfA:
undetectable		 4nkvB-5ftfA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fvd NUCLEOCAPSID

(Human
metapneumovirus) 		PF03246
(Pneumo_ncap) 		5 LEU A 223
ILE A  82
LEU A  83
GLY A  75
VAL A  92
 None
 0.87A 4nkvB-5fvdA:
undetectable		 4nkvB-5fvdA:
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.
5j6q CELL WALL BINDING
PROTEIN CWP8

(Clostridioides
difficile) 		PF04122
(CW_binding_2) 		5 LEU A 280
ILE A 251
LEU A 223
GLY A 210
VAL A 217
 None
 0.83A 4nkvB-5j6qA:
undetectable		 4nkvB-5j6qA:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 ASN A 531
ILE A 532
LEU A 536
ALA A 526
VAL A 555
 None
 0.92A 4nkvB-5ux5A:
undetectable		 4nkvB-5ux5A:
18.28
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.
5xct VH(S112C)-SARAH
CHIMERA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		5 ALA A  60
ASN A  82
ILE A  82
LEU A  80
GLY A  65
 None
 0.92A 4nkvB-5xctA:
undetectable		 4nkvB-5xctA:
15.95
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 9 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.51A 4nkvB-6b82A:
49.2		 4nkvB-6b82A:
9.72
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.
6cau UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Acinetobacter
baumannii) 		no annotation 5 LEU A 229
ILE A 125
ALA A 302
THR A 136
VAL A 127
 None
 0.98A 4nkvB-6cauA:
undetectable		 4nkvB-6cauA:
8.96
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.
6cer PYRUVATE
DEHYDROGENASE E1
COMPONENT SUBUNIT
ALPHA, SOMATIC FORM,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 LEU A 231
ALA A   5
PHE A   7
ILE A 230
GLY A  32
 None
 0.93A 4nkvB-6cerA:
undetectable		 4nkvB-6cerA:
8.78
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.
6cfd ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Enterococcus
faecium) 		no annotation 5 ALA A 106
ILE A  44
ILE A  45
LEU A  48
GLY A  74
 None
 0.68A 4nkvB-6cfdA:
undetectable		 4nkvB-6cfdA:
11.84
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.
6ct0 DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE
COMPONENT OF
PYRUVATE
DEHYDROGENASE
COMPLEX,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 ASN 0 477
ILE 0 480
ILE 0 481
ALA 0 514
VAL 0 511
 None
 0.93A 4nkvB-6ct00:
undetectable		 4nkvB-6ct00:
8.18
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.
6ems TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 LEU A 130
ALA A 140
ILE A 254
LEU A 251
ALA A 198
 None
 0.79A 4nkvB-6emsA:
undetectable		 4nkvB-6emsA:
9.96
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.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 5 ALA A 269
LEU A 261
ALA A 253
THR A 251
VAL A 283
 NAP  A 401 ( 4.7A)
None
NAP  A 401 (-3.4A)
None
None
 0.98A 4nkvB-6f2uA:
undetectable		 4nkvB-6f2uA:
10.79
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.
1bgf STAT-4

(Mus musculus) 		PF02865
(STAT_int) 		4 TYR A  22
ARG A  31
GLU A  29
VAL A  71
 None
 1.16A 4nkvB-1bgfA:
undetectable		 4nkvB-1bgfA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f9a HYPOTHETICAL PROTEIN
MJ0541

(Methanocaldococcus
jannaschii) 		PF01467
(CTP_transf_like) 		4 TYR A  68
ARG A   2
ASP A  93
VAL A 102
 None
 1.47A 4nkvB-1f9aA:
0.0		 4nkvB-1f9aA:
16.56
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ARG B 464
ASP B 773
GLU B 459
VAL B 451
 None
 1.46A 4nkvB-1ffvB:
0.0		 4nkvB-1ffvB:
20.42
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.
1j6u UDP-N-ACETYLMURAMATE
-ALANINE LIGASE MURC

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ARG A 436
ASP A 316
GLU A 412
VAL A 371
 None
 1.40A 4nkvB-1j6uA:
0.0		 4nkvB-1j6uA:
22.72
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.
1j6x AUTOINDUCER-2
PRODUCTION PROTEIN
LUXS

(Helicobacter
pylori) 		PF02664
(LuxS) 		4 TYR A  19
ARG A  21
ASP A  24
VAL A  72
 None
 1.45A 4nkvB-1j6xA:
0.0		 4nkvB-1j6xA:
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 TYR A 651
ARG A 655
ASP A 430
VAL A 525
 None
None
None
PQQ  A 801 (-4.5A)
 1.11A 4nkvB-1kv9A:
0.0		 4nkvB-1kv9A:
21.60
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.
1lml LEISHMANOLYSIN

(Leishmania
major) 		PF01457
(Peptidase_M8) 		4 TYR A 254
ARG A 253
ASP A 154
VAL A 214
 None
 1.35A 4nkvB-1lmlA:
0.0		 4nkvB-1lmlA:
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.
1ox4 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
HISHF

(Saccharomyces
cerevisiae) 		PF00117
(GATase)
PF00977
(His_biosynth) 		4 TYR B 144
ARG B 239
ASP B 518
GLU B 121
 None
 1.42A 4nkvB-1ox4B:
0.0		 4nkvB-1ox4B:
22.19
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.
1ynq OXIDOREDUCTASE

(Bacillus
halodurans) 		PF00248
(Aldo_ket_red) 		4 TYR A 243
ARG A 280
ASP A 248
VAL A  13
 None
SO4  A 306 (-2.6A)
SO4  A 306 (-3.2A)
None
 1.17A 4nkvB-1ynqA:
0.0		 4nkvB-1ynqA:
22.26
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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		4 TYR A 486
ASP A  50
GLU A  56
VAL A  28
 None
 1.44A 4nkvB-1z45A:
0.0		 4nkvB-1z45A:
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		4 ARG A 489
ASP A 471
GLU A 434
VAL A 405
 None
None
UGA  A1101 (-4.0A)
None
 1.45A 4nkvB-1z7eA:
undetectable		 4nkvB-1z7eA:
21.55
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 ARG A 336
ASP A 310
GLU A 330
VAL A 292
 None
 1.46A 4nkvB-2d52A:
undetectable		 4nkvB-2d52A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hwv DNA-BINDING RESPONSE
REGULATOR VICR

(Enterococcus
faecalis) 		PF00486
(Trans_reg_C) 		4 ARG A 202
ASP A 198
GLU A 161
VAL A 185
 None
 1.47A 4nkvB-2hwvA:
undetectable		 4nkvB-2hwvA:
13.59
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.
2ido DNA POLYMERASE III
EPSILON SUBUNIT

(Escherichia
coli) 		PF00929
(RNase_T) 		4 ARG A 159
ASP A  12
GLU A 173
VAL A  38
 TMP  A2001 ( 4.6A)
MN  A1001 (-2.6A)
None
None
 1.39A 4nkvB-2idoA:
undetectable		 4nkvB-2idoA:
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.
2iw1 LIPOPOLYSACCHARIDE
CORE BIOSYNTHESIS
PROTEIN RFAG

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		4 TYR A 155
ASP A 100
GLU A 105
VAL A 302
 None
 1.26A 4nkvB-2iw1A:
undetectable		 4nkvB-2iw1A:
21.89
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.
2jig PROLYL-4 HYDROXYLASE

(Chlamydomonas
reinhardtii) 		PF13640
(2OG-FeII_Oxy_3) 		4 TYR A 134
ARG A  93
ASP A 149
GLU A 141
 PD2  A1254 (-4.5A)
GOL  A1255 (-4.3A)
None
None
 1.24A 4nkvB-2jigA:
undetectable		 4nkvB-2jigA:
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.
2naz TRANSCRIPTIONAL
REGULATORY PROTEIN
RSTA

(Acinetobacter
baumannii) 		PF00486
(Trans_reg_C) 		4 TYR A 193
ARG A 189
GLU A 164
VAL A 158
 None
 1.35A 4nkvB-2nazA:
undetectable		 4nkvB-2nazA:
13.56
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.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TYR A 297
ARG A 316
GLU A 204
VAL A 712
 None
None
AIL  A 901 (-2.9A)
AIL  A 901 (-4.9A)
 1.43A 4nkvB-2oaeA:
undetectable		 4nkvB-2oaeA:
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.
2sfa SERINE PROTEINASE

(Streptomyces
fradiae) 		PF00089
(Trypsin) 		4 TYR A   8
ARG A  14
ASP A 146
GLU A   5
 None
 1.45A 4nkvB-2sfaA:
undetectable		 4nkvB-2sfaA:
18.12
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.
2x4h HYPOTHETICAL PROTEIN
SSO2273

(Sulfolobus
solfataricus) 		PF01325
(Fe_dep_repress)
PF02742
(Fe_dep_repr_C) 		4 TYR A 110
ARG A  12
GLU A  14
VAL A  60
 None
None
ZN  A1142 (-3.1A)
None
 1.14A 4nkvB-2x4hA:
undetectable		 4nkvB-2x4hA:
15.45
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.
3biw NEUROLIGIN-1

(Rattus
norvegicus) 		PF00135
(COesterase) 		4 TYR A 618
ARG A 619
GLU A 411
VAL A 129
 None
 1.33A 4nkvB-3biwA:
undetectable		 4nkvB-3biwA:
21.11
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.
3cuq VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 36
VACUOLAR-SORTING
PROTEIN SNF8

(Homo sapiens) 		PF04157
(EAP30) 		4 TYR A  97
ARG A 146
ASP A  70
VAL B 192
 None
 1.28A 4nkvB-3cuqA:
undetectable		 4nkvB-3cuqA:
20.12
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 TYR A 156
ARG A 154
ASP A 239
GLU A 177
 None
 1.27A 4nkvB-3ec7A:
undetectable		 4nkvB-3ec7A:
23.32
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.
3enh UNCHARACTERIZED
PROTEIN MJ0187

(Methanocaldococcus
jannaschii) 		PF08617
(CGI-121) 		4 ARG C  12
ASP C  33
GLU C 113
VAL C 135
 None
 1.33A 4nkvB-3enhC:
undetectable		 4nkvB-3enhC:
15.35
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.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 TYR A 660
ARG A 510
ASP A 597
VAL A 593
 None
 1.44A 4nkvB-3gsiA:
undetectable		 4nkvB-3gsiA:
19.71
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 TYR B1183
ARG B1148
ASP A  78
VAL B1100
 None
 1.48A 4nkvB-3h0gB:
undetectable		 4nkvB-3h0gB:
16.76
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.
3iln LAMINARINASE

(Rhodothermus
marinus) 		PF00722
(Glyco_hydro_16) 		4 TYR A 253
ARG A 251
ASP A 248
VAL A 143
 None
None
CA  A 400 (-3.4A)
None
 1.49A 4nkvB-3ilnA:
undetectable		 4nkvB-3ilnA:
18.11
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.
3iln LAMINARINASE

(Rhodothermus
marinus) 		PF00722
(Glyco_hydro_16) 		4 TYR A 253
ARG A 251
ASP A 248
VAL A 166
 None
None
CA  A 400 (-3.4A)
None
 1.35A 4nkvB-3ilnA:
undetectable		 4nkvB-3ilnA:
18.11
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.
3ilw DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis) 		PF00521
(DNA_topoisoIV) 		4 TYR A 156
ASP A  61
GLU A 162
VAL A 150
 None
None
GOL  A 502 (-3.7A)
None
 1.40A 4nkvB-3ilwA:
undetectable		 4nkvB-3ilwA:
23.67
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.
3im7 CARDIAC CA2+ RELEASE
CHANNEL

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 TYR A 129
ARG A 122
ASP A  17
VAL A 175
 None
 1.47A 4nkvB-3im7A:
undetectable		 4nkvB-3im7A:
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.
3jys SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TYR A 267
ARG A 357
GLU A 284
VAL A 256
 None
 1.46A 4nkvB-3jysA:
undetectable		 4nkvB-3jysA:
22.26
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.
3lw2 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Mus musculus) 		PF00079
(Serpin) 		4 ARG A 271
ASP A 222
GLU A 225
VAL A 361
 None
 1.05A 4nkvB-3lw2A:
undetectable		 4nkvB-3lw2A:
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.
3muu STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop) 		4 TYR A 339
ARG A 337
ASP A 630
VAL A 367
 None
 1.42A 4nkvB-3muuA:
undetectable		 4nkvB-3muuA:
20.36
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.
3swg UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF00275
(EPSP_synthase) 		4 ARG A 239
ASP A 311
GLU A 241
VAL A 383
 None
EPZ  A 518 (-2.7A)
None
None
 1.37A 4nkvB-3swgA:
undetectable		 4nkvB-3swgA:
21.98
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.
3ty9 POLYNUCLEOTIDE
2',3'-CYCLIC
PHOSPHATE
PHOSPHODIESTERASE /
POLYNUCLEOTIDE
5'-HYDROXYL-KINASE /
POLYNUCLEOTIDE
3'-PHOSPHATASE

(Ruminiclostridium
thermocellum) 		PF16536
(PNKP-ligase_C)
PF16542
(PNKP_ligase) 		4 TYR A 807
ARG A 796
GLU A 509
VAL A 773
 None
 1.10A 4nkvB-3ty9A:
undetectable		 4nkvB-3ty9A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uqz DNA PROCESSING
PROTEIN DPRA

(Streptococcus
pneumoniae) 		PF02481
(DNA_processg_A) 		4 ARG A 227
ASP A 257
GLU A 235
VAL A 244
 None
 1.45A 4nkvB-3uqzA:
undetectable		 4nkvB-3uqzA:
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 TYR A4287
ASP A4092
GLU A4412
VAL A4053
 None
SPM  A9016 ( 4.4A)
None
None
 1.49A 4nkvB-3vkgA:
undetectable		 4nkvB-3vkgA:
9.49
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		4 ARG A 234
ASP A 306
GLU A 236
VAL A 378
 None
FLC  A1419 (-3.0A)
None
None
 1.37A 4nkvB-3zh4A:
undetectable		 4nkvB-3zh4A:
21.55
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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 ARG A 159
ASP A 230
GLU A 202
VAL A 205
 None
 1.32A 4nkvB-3zqjA:
undetectable		 4nkvB-3zqjA:
19.52
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.
4bh6 APC/C ACTIVATOR
PROTEIN CDH1

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 TYR A 495
ARG A 517
ASP A 263
VAL A 279
 None
 1.04A 4nkvB-4bh6A:
undetectable		 4nkvB-4bh6A:
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.
4bok ALPHA-1,6-MANNANASE

(Bacillus
circulans) 		PF03663
(Glyco_hydro_76) 		4 TYR A 243
ASP A  71
GLU A  77
VAL A 105
 None
 1.29A 4nkvB-4bokA:
undetectable		 4nkvB-4bokA:
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.
4cr4 26S PROTEASE
REGULATORY SUBUNIT
6B HOMOLOG
26S PROTEASE
REGULATORY SUBUNIT 8
HOMOLOG

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		4 ARG K 333
ASP K 204
GLU J 364
VAL J 377
 None
 1.28A 4nkvB-4cr4K:
undetectable		 4nkvB-4cr4K:
24.03
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.
4dhz UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans;
Homo sapiens) 		PF10275
(Peptidase_C65) 		4 ARG A 264
ASP A 269
GLU A 232
VAL A 229
 None
 1.35A 4nkvB-4dhzA:
undetectable		 4nkvB-4dhzA:
20.56
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.
4ffu OXIDASE

(Sinorhizobium
meliloti) 		PF01575
(MaoC_dehydratas) 		4 ARG A 120
ASP A  86
GLU A 123
VAL A  69
 None
 1.21A 4nkvB-4ffuA:
undetectable		 4nkvB-4ffuA:
17.85
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		4 TYR B  37
ARG B 118
ASP A 130
VAL B 223
 FAD  A 401 (-4.1A)
None
None
None
 1.46A 4nkvB-4kpuB:
undetectable		 4nkvB-4kpuB:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 TYR A 201
ARG A 239
ASP A 298
GLU A 305
VAL A 366
 None
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
 0.49A 4nkvB-4nkyA:
63.3		 4nkvB-4nkyA:
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.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 4 ARG B  25
ASP B 198
GLU B 193
VAL B 228
 None
 1.33A 4nkvB-4pl2B:
undetectable		 4nkvB-4pl2B:
22.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		5 TYR A 214
ARG A 252
ASP A 309
GLU A 316
VAL A 377
 AER  A 601 (-4.7A)
None
AER  A 601 ( 4.1A)
None
HEM  A 600 (-4.6A)
 0.80A 4nkvB-4r1zA:
51.1		 4nkvB-4r1zA:
46.37
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.
4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 TYR A 113
ARG A  96
GLU A  69
VAL A 457
 None
 1.27A 4nkvB-4re2A:
undetectable		 4nkvB-4re2A:
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.
4u3a ENDOGLUCANASE H

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		4 TYR A 139
ARG A 183
ASP A 170
GLU A 185
 None
 1.33A 4nkvB-4u3aA:
undetectable		 4nkvB-4u3aA:
21.32
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.
4uuk DYNAMIN-1

(Homo sapiens) 		PF00169
(PH)
PF01031
(Dynamin_M)
PF02212
(GED) 		4 ARG B 385
ASP B 667
GLU B 387
VAL B 417
 None
 1.46A 4nkvB-4uukB:
undetectable		 4nkvB-4uukB:
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.
4wd0 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Paenarthrobacter
aurescens) 		PF00977
(His_biosynth) 		4 ARG A 246
ASP A  49
GLU A  52
VAL A  83
 None
None
GOL  A 303 (-3.4A)
CL  A 302 (-4.0A)
 1.34A 4nkvB-4wd0A:
undetectable		 4nkvB-4wd0A:
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TYR A 320
ARG A 339
GLU A 234
VAL A 730
 None
 1.40A 4nkvB-4wjlA:
undetectable		 4nkvB-4wjlA:
21.43
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.
4wm0 XYLOSIDE
XYLOSYLTRANSFERASE 1

(Mus musculus) 		PF01501
(Glyco_transf_8) 		4 ARG A 261
ASP A 278
GLU A 255
VAL A 346
 None
 1.50A 4nkvB-4wm0A:
undetectable		 4nkvB-4wm0A:
21.10
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.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ARG A 498
ASP A 871
GLU A 105
VAL A 246
 None
 1.43A 4nkvB-5bp1A:
undetectable		 4nkvB-5bp1A:
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.
5bq2 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
aeruginosa) 		PF00275
(EPSP_synthase) 		4 ARG A 235
ASP A 308
GLU A 237
VAL A 380
 None
EPU  A 501 (-2.9A)
None
None
 1.41A 4nkvB-5bq2A:
undetectable		 4nkvB-5bq2A:
21.54
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.
5enz UDP-GLCNAC
2-EPIMERASE

(Staphylococcus
aureus) 		PF02350
(Epimerase_2) 		4 TYR A 194
ARG A 256
ASP A 226
VAL A 324
 None
 1.46A 4nkvB-5enzA:
undetectable		 4nkvB-5enzA:
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.
5m77 ALPHA-1,6-MANNANASE

(Bacillus
circulans) 		PF03422
(CBM_6)
PF03663
(Glyco_hydro_76) 		4 TYR A 243
ASP A  71
GLU A  77
VAL A 105
 7K2  A 607 (-4.7A)
None
None
None
 1.27A 4nkvB-5m77A:
undetectable		 4nkvB-5m77A:
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		4 TYR A 790
ASP A 667
GLU A 730
VAL A 721
 None
 1.32A 4nkvB-5o0sA:
undetectable		 4nkvB-5o0sA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oih -

(-) 		no annotation 4 TYR A 392
ARG A 354
ASP A 348
VAL A 386
 None
 1.47A 4nkvB-5oihA:
undetectable		 4nkvB-5oihA:
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.
5thw DEACYLASE

(Burkholderia
multivorans) 		PF01546
(Peptidase_M20) 		4 ARG A  55
ASP A  98
GLU A 179
VAL A 171
 None
 1.31A 4nkvB-5thwA:
undetectable		 4nkvB-5thwA:
22.92
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.
5vf4 UNCHARACTERIZED
PROTEIN

(Thermus
aquaticus) 		PF03781
(FGE-sulfatase) 		4 TYR A 334
ARG A 332
ASP A 303
VAL A 312
 None
 1.47A 4nkvB-5vf4A:
undetectable		 4nkvB-5vf4A:
20.31
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.
5vh6 ELONGATION FACTOR G

(Bacillus
subtilis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 TYR A 339
ARG A 350
GLU A 349
VAL A 315
 None
 1.26A 4nkvB-5vh6A:
undetectable		 4nkvB-5vh6A:
23.30
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.
5vtm TYPE II SECRETION
SYSTEM PROTEIN J
TYPE II SECRETION
SYSTEM PROTEIN K

(Pseudomonas
aeruginosa) 		no annotation 4 TYR X 201
ARG X 192
GLU X 190
VAL W  69
 None
 1.31A 4nkvB-5vtmX:
undetectable		 4nkvB-5vtmX:
10.75
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 4 TYR A 478
ARG A 425
GLU A 817
VAL A 748
 None
 1.40A 4nkvB-5w21A:
undetectable		 4nkvB-5w21A:
9.33
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.
5w8u ORF1AB PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		4 ARG A 221
ASP A 320
GLU A 189
VAL A 200
 None
 1.28A 4nkvB-5w8uA:
undetectable		 4nkvB-5w8uA:
20.27
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.
5x4s SPIKE GLYCOPROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF16451
(Spike_NTD) 		4 TYR A 200
ARG A 183
GLU A 184
VAL A  66
 None
 1.44A 4nkvB-5x4sA:
undetectable		 4nkvB-5x4sA:
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.
6c90 EXOSOME RNA HELICASE
MTR4,EXOSOME RNA
HELICASE MTR4
ZINC FINGER CCHC
DOMAIN-CONTAINING
PROTEIN 8

(Homo sapiens) 		no annotation 4 TYR B 685
ARG B 689
GLU A 201
VAL A 169
 None
 1.36A 4nkvB-6c90B:
undetectable		 4nkvB-6c90B:
8.29