SIMILAR PATTERNS OF AMINO ACIDS FOR 4NKV_B_AERB601_2

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.
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