SIMILAR PATTERNS OF AMINO ACIDS FOR 4KMM_B_CHDB503_0

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.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 LEU A 148
ARG A  93
PRO A  35
SER A  39
 None
 1.47A 4kmmB-1ciyA:
undetectable		 4kmmB-1ciyA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		4 MET A 165
LEU A 215
ARG A 116
PRO A  57
 None
 1.19A 4kmmB-1fcuA:
undetectable		 4kmmB-1fcuA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gh6 RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		4 MET B 695
LEU B 688
ARG B 661
SER B 567
 None
 0.97A 4kmmB-1gh6B:
undetectable		 4kmmB-1gh6B:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gux RETINOBLASTOMA
PROTEIN
RETINOBLASTOMA
PROTEIN

(Homo sapiens;
Homo sapiens) 		PF01858
(RB_A)
PF01857
(RB_B)
PF08934
(Rb_C) 		4 MET B 695
LEU B 688
ARG B 661
SER A 567
 None
 0.89A 4kmmB-1guxB:
undetectable		 4kmmB-1guxB:
18.89
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.
1ipf TROPINONE
REDUCTASE-II

(Datura
stramonium) 		PF13561
(adh_short_C2) 		4 LEU A 210
ARG A 221
PRO A 189
SER A 146
 TNE  A 262 (-4.9A)
None
NDP  A 261 ( 4.1A)
TNE  A 262 ( 2.9A)
 1.28A 4kmmB-1ipfA:
2.7		 4kmmB-1ipfA:
21.47
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.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		4 MET C 358
LEU C 547
PRO C 367
SER C 526
 None
 1.19A 4kmmB-1j3jC:
undetectable		 4kmmB-1j3jC:
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.
1mex FAB 29G12 HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 MET H  94
LEU H  97
PRO H  52
SER H  52
 None
 1.43A 4kmmB-1mexH:
undetectable		 4kmmB-1mexH:
17.96
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.
1ow0 IG ALPHA-1 CHAIN C
REGION
IMMUNOGLOBULIN ALPHA
FC RECEPTOR

(Homo sapiens;
Homo sapiens) 		PF00047
(ig)
PF07654
(C1-set)
no annotation 		4 MET A 433
LEU A 384
ARG C  52
SER A 415
 None
 1.17A 4kmmB-1ow0A:
undetectable		 4kmmB-1ow0A:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q15 CARA

(Pectobacterium
carotovorum) 		PF00733
(Asn_synthase)
PF09147
(DUF1933) 		4 LEU A 253
ARG A 260
PRO A 230
SER A 399
 None
 1.40A 4kmmB-1q15A:
undetectable		 4kmmB-1q15A:
22.42
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		4 MET A 194
LEU A 297
ARG A 309
SER A 276
 None
 1.27A 4kmmB-1qonA:
3.2		 4kmmB-1qonA:
21.39
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.
1rkq HYPOTHETICAL PROTEIN
YIDA

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		4 MET A 156
LEU A 111
ARG A  46
SER A 124
 None
 1.31A 4kmmB-1rkqA:
3.0		 4kmmB-1rkqA:
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.
1sxj ACTIVATOR 1 95 KDA
SUBUNIT
ACTIVATOR 1 37 KDA
SUBUNIT

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
PF00004
(AAA)
PF08542
(Rep_fac_C) 		4 LEU B 133
ARG A 383
PRO B 153
SER B 156
 None
None
AGS  A 801 ( 4.3A)
AGS  A 801 ( 4.4A)
 1.27A 4kmmB-1sxjB:
undetectable		 4kmmB-1sxjB:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		4 MET A 376
LEU A 324
ARG A 386
PRO A 320
 C2E  A 503 ( 4.8A)
None
None
None
 1.09A 4kmmB-1w25A:
3.4		 4kmmB-1w25A:
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.
1wly 2-HALOACRYLATE
REDUCTASE

(Burkholderia
sp. WS) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 MET A 127
LEU A 289
ARG A  87
SER A 326
 MET  A 127 ( 0.0A)
LEU  A 289 ( 0.6A)
ARG  A  87 ( 0.6A)
SER  A 326 ( 0.0A)
 1.49A 4kmmB-1wlyA:
3.9		 4kmmB-1wlyA:
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.
1zkc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
LIKE 2

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 MET A 410
LEU A 407
PRO A 422
SER A 415
 None
 1.01A 4kmmB-1zkcA:
undetectable		 4kmmB-1zkcA:
22.07
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.
2fus FUMARASE C

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 MET A 148
LEU A 274
PRO A  41
SER A  43
 None
 1.40A 4kmmB-2fusA:
undetectable		 4kmmB-2fusA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 MET A 551
LEU A 533
PRO A 528
SER A 435
 None
 1.29A 4kmmB-2g3nA:
undetectable		 4kmmB-2g3nA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pk9 PHO85 CYCLIN PHO80

(Saccharomyces
cerevisiae) 		PF08613
(Cyclin) 		4 MET B  96
LEU B  35
ARG B 222
PRO B 172
 None
 1.22A 4kmmB-2pk9B:
undetectable		 4kmmB-2pk9B:
23.27
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.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		4 LEU A  36
ARG A 287
PRO A 320
SER A 322
 None
 0.93A 4kmmB-2qtyA:
undetectable		 4kmmB-2qtyA:
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		4 LEU A 335
ARG A  27
PRO A  38
SER A  41
 None
 1.17A 4kmmB-2qveA:
undetectable		 4kmmB-2qveA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r1z BRCA1-ASSOCIATED
RING DOMAIN PROTEIN
1

(Homo sapiens) 		PF00533
(BRCT)
PF16589
(BRCT_2) 		4 MET A 621
LEU A 694
PRO A 657
SER A 660
 None
None
None
GOL  A 801 ( 2.7A)
 1.50A 4kmmB-2r1zA:
undetectable		 4kmmB-2r1zA:
18.98
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.
2v8s VESICLE TRANSPORT
THROUGH INTERACTION
WITH T-SNARES
HOMOLOG 1B

(Homo sapiens) 		PF05008
(V-SNARE) 		4 MET V  62
LEU V  81
ARG V  19
SER V   4
 None
None
None
GOL  V1095 (-3.5A)
 1.21A 4kmmB-2v8sV:
undetectable		 4kmmB-2v8sV:
11.78
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.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 MET A 433
LEU A 380
ARG A 393
SER A 438
 None
None
None
TPP  A2000 (-2.5A)
 1.43A 4kmmB-2vbiA:
2.1		 4kmmB-2vbiA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 MET B 397
LEU B 400
PRO B 344
SER B 348
 None
 1.23A 4kmmB-2z7xB:
undetectable		 4kmmB-2z7xB:
23.50
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.
3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 MET B 402
LEU B 405
PRO B 349
SER B 353
 None
 1.03A 4kmmB-3a79B:
undetectable		 4kmmB-3a79B:
20.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		4 MET A  99
LEU A 101
PRO A 266
SER A 268
 CHD  A   2 (-4.0A)
CHD  A   3 ( 4.9A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 4.4A)
 0.46A 4kmmB-3aqiA:
59.5		 4kmmB-3aqiA:
99.16
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.
3euc HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE 2

(Cupriavidus
pinatubonensis) 		PF00155
(Aminotran_1_2) 		4 MET A 148
LEU A 143
PRO A 157
SER A 192
 None
 1.47A 4kmmB-3eucA:
2.1		 4kmmB-3eucA:
23.53
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.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 LEU A 317
ARG A 388
PRO A 166
SER A 252
 None
 1.30A 4kmmB-3gg4A:
undetectable		 4kmmB-3gg4A:
20.69
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.
3glg DNA POLYMERASE III
SUBUNIT DELTA'

(Escherichia
coli) 		PF09115
(DNApol3-delta_C)
PF13177
(DNA_pol3_delta2) 		4 LEU E  40
ARG E   8
PRO E 198
SER E 197
 None
 1.48A 4kmmB-3glgE:
undetectable		 4kmmB-3glgE:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3icc PUTATIVE
3-OXOACYL-(ACYL
CARRIER PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		4 LEU A 200
ARG A 217
PRO A 188
SER A 145
 LEU  A 200 ( 0.6A)
ARG  A 217 ( 0.6A)
PRO  A 188 (-1.1A)
SER  A 145 (-0.0A)
 1.31A 4kmmB-3iccA:
3.4		 4kmmB-3iccA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3izq ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF08938
(HBS1_N) 		4 LEU 1 476
ARG 1 588
PRO 1 440
SER 1 441
 None
 1.33A 4kmmB-3izq1:
3.8		 4kmmB-3izq1:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k8z NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 MET A  46
LEU A  41
ARG A 420
SER A  97
 None
 1.10A 4kmmB-3k8zA:
2.1		 4kmmB-3k8zA:
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.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		4 MET A  42
LEU A 231
PRO A  52
SER A 210
 None
 1.30A 4kmmB-3kgbA:
undetectable		 4kmmB-3kgbA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 MET A 261
LEU A 450
PRO A 270
SER A 429
 None
 1.15A 4kmmB-3kjrA:
undetectable		 4kmmB-3kjrA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o3m BETA SUBUNIT
2-HYDROXYACYL-COA
DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		4 MET B 322
LEU B 238
PRO B 327
SER B 292
 None
None
SF4  B 386 ( 4.5A)
None
 1.42A 4kmmB-3o3mB:
undetectable		 4kmmB-3o3mB:
24.54
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.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		4 LEU A 470
ARG A 308
PRO A 364
SER A 393
 None
 1.27A 4kmmB-3tk3A:
undetectable		 4kmmB-3tk3A:
22.59
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.
3ts9 INTERFERON-INDUCED
HELICASE C
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		no annotation 4 MET A  18
LEU A  15
PRO A  29
SER A  28
 None
 1.39A 4kmmB-3ts9A:
undetectable		 4kmmB-3ts9A:
17.78
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.
3tzq SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
marinum) 		no annotation 4 LEU B 193
ARG B 213
PRO B 185
SER B 142
 None
None
None
GOL  B 268 ( 3.8A)
 1.48A 4kmmB-3tzqB:
3.2		 4kmmB-3tzqB:
21.39
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 MET A 358
LEU A 547
PRO A 367
SER A 526
 None
 1.19A 4kmmB-3um6A:
undetectable		 4kmmB-3um6A:
19.09
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.
3uxy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		4 LEU A 200
ARG A 208
PRO A 174
SER A 131
 None
 1.39A 4kmmB-3uxyA:
2.3		 4kmmB-3uxyA:
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.
4ae7 THIOESTERASE
SUPERFAMILY MEMBER 5

(Homo sapiens) 		PF03061
(4HBT) 		4 MET A 166
LEU A 186
ARG A 189
SER A 140
 None
 1.48A 4kmmB-4ae7A:
undetectable		 4kmmB-4ae7A:
20.16
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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 LEU A 253
ARG A 289
PRO A 269
SER A 271
 None
SEP  A  69 ( 3.8A)
None
None
 1.29A 4kmmB-4bjuA:
2.9		 4kmmB-4bjuA:
19.32
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.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		4 MET A1064
LEU A1204
ARG A1190
PRO A1110
 None
 1.39A 4kmmB-4bocA:
undetectable		 4kmmB-4bocA:
16.89
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.
4cca SYNTAXIN-BINDING
PROTEIN 2

(Homo sapiens) 		PF00995
(Sec1) 		4 LEU A 114
ARG A 167
PRO A  36
SER A  37
 None
 1.48A 4kmmB-4ccaA:
3.8		 4kmmB-4ccaA:
22.62
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.
4elj RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A)
PF11934
(DUF3452) 		4 MET A 695
LEU A 688
ARG A 661
SER A 567
 None
 0.90A 4kmmB-4eljA:
undetectable		 4kmmB-4eljA:
18.59
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.
4ell RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		4 MET A 695
LEU A 688
ARG A 661
SER A 567
 None
 0.94A 4kmmB-4ellA:
undetectable		 4kmmB-4ellA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f5x RNA-DIRECTED RNA
POLYMERASE

(Rotavirus A) 		PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1) 		4 LEU W 791
ARG W 850
PRO W 752
SER W  73
 None
 1.46A 4kmmB-4f5xW:
undetectable		 4kmmB-4f5xW:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g2u ANCYLOSTOMA-SECRETED
PROTEIN-LIKE PROTEIN

(Ostertagia
ostertagi) 		PF00188
(CAP) 		4 MET A 160
LEU A  93
PRO A 107
SER A 109
 None
 1.23A 4kmmB-4g2uA:
undetectable		 4kmmB-4g2uA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4grx AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00202
(Aminotran_3) 		4 LEU A 303
ARG A 247
PRO A 105
SER A 104
 None
None
None
NA  A 501 (-3.5A)
 1.22A 4kmmB-4grxA:
3.0		 4kmmB-4grxA:
23.59
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.
4kna N-SUCCINYLGLUTAMATE
5-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		4 MET A 102
LEU A  73
PRO A 158
SER A 109
 None
 1.35A 4kmmB-4knaA:
undetectable		 4kmmB-4knaA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		4 MET A 164
LEU A 160
ARG A 205
SER A 169
 None
 1.29A 4kmmB-4krfA:
4.0		 4kmmB-4krfA:
17.99
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.
4pw8 TRYPTOPHAN
2,3-DIOXYGENASE

(Homo sapiens) 		PF03301
(Trp_dioxygenase) 		4 MET A 315
LEU A 365
ARG A 299
SER A 119
 None
 1.39A 4kmmB-4pw8A:
undetectable		 4kmmB-4pw8A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ri6 PHI CLASS
GLUTATHIONE
TRANSFERASE GSTF1

(Populus tremula
x Populus
tremuloides) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 LEU A 167
ARG A  74
PRO A  57
SER A  13
 None
None
GSH  A 500 (-4.5A)
GSH  A 500 ( 2.2A)
 1.45A 4kmmB-4ri6A:
undetectable		 4kmmB-4ri6A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 LEU A  53
ARG A 116
PRO A 636
SER A 713
 None
 1.45A 4kmmB-4rvwA:
undetectable		 4kmmB-4rvwA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v16 SVP1-LIKE PROTEIN 2

(Kluyveromyces
lactis) 		no annotation 4 LEU A 248
ARG A 231
PRO A 308
SER A 290
 None
 1.36A 4kmmB-4v16A:
undetectable		 4kmmB-4v16A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xjn NUCLEOCAPSID

(Mammalian
rubulavirus 5) 		PF00973
(Paramyxo_ncap) 		4 MET A  76
LEU A  73
PRO A  80
SER A  81
 None
 1.40A 4kmmB-4xjnA:
2.6		 4kmmB-4xjnA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yoo RETINOBLASTOMA-LIKE
PROTEIN
1,RETINOBLASTOMA-LIK
E PROTEIN 1

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		4 MET A 835
LEU A 828
ARG A 802
SER A 572
 None
 0.85A 4kmmB-4yooA:
undetectable		 4kmmB-4yooA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b01 MOEN5

(Streptomyces
viridosporus) 		no annotation 4 MET A   1
LEU A   2
PRO A  39
SER A  56
 None
 1.33A 4kmmB-5b01A:
undetectable		 4kmmB-5b01A:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 4 LEU A 743
ARG A 775
PRO A 885
SER A 840
 None
 1.49A 4kmmB-5b7iA:
2.4		 4kmmB-5b7iA:
15.76
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 LEU A 355
ARG A 312
PRO A 297
SER A 322
 None
 1.14A 4kmmB-5eawA:
undetectable		 4kmmB-5eawA:
16.24
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.
5ey6 PHI CLASS
GLUTATHIONE
TRANSFERASE GSTF2

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 LEU A 170
ARG A  74
PRO A  57
SER A  13
 None
 1.45A 4kmmB-5ey6A:
undetectable		 4kmmB-5ey6A:
20.55
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.
5k0u CAPSID PROTEIN VP2

(Rhinovirus C) 		PF00073
(Rhv) 		4 MET C  96
LEU C 218
PRO C 251
SER C 104
 None
 1.48A 4kmmB-5k0uC:
undetectable		 4kmmB-5k0uC:
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.
5loi RAD26

(Thermothelomyces
thermophila) 		PF12331
(DUF3636) 		4 LEU A 523
ARG A 488
PRO A 595
SER A 587
 None
 1.47A 4kmmB-5loiA:
undetectable		 4kmmB-5loiA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		4 MET A1214
LEU A1210
ARG A1449
SER A1204
 None
 1.35A 4kmmB-5mzoA:
undetectable		 4kmmB-5mzoA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 4 MET A 281
LEU A 278
ARG A 299
SER A 290
 None
 1.42A 4kmmB-5ovnA:
undetectable		 4kmmB-5ovnA:
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.
5t0h 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		4 MET f  57
ARG f  22
PRO f  84
SER f  87
 None
 1.26A 4kmmB-5t0hf:
undetectable		 4kmmB-5t0hf:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u0l N-SUCCINYLGLUTAMATE
5-SEMIALDEHYDE
DEHYDROGENASE

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		4 MET A 106
LEU A  77
PRO A 162
SER A 113
 None
 1.31A 4kmmB-5u0lA:
2.3		 4kmmB-5u0lA:
23.12
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.
6c9d SERINE/THREONINE-PRO
TEIN KINASE
MARK1,SERINE/THREONI
NE-PROTEIN KINASE
MARK1

(Homo sapiens) 		no annotation 4 MET A 712
LEU A 795
ARG A 722
PRO A 697
 None
 1.46A 4kmmB-6c9dA:
undetectable		 4kmmB-6c9dA:
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 4 LEU A 802
ARG A 854
PRO A 703
SER A 693
 None
 1.21A 4kmmB-6cipA:
undetectable		 4kmmB-6cipA:
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.
6cuq MACROPHAGE MIGRATION
INHIBITORY
FACTOR-LIKE PROTEIN

(Entamoeba
histolytica) 		no annotation 4 LEU A  96
ARG A  78
PRO A   2
SER A  64
 None
 1.27A 4kmmB-6cuqA:
undetectable		 4kmmB-6cuqA:
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.
6fnu METHYLENETETRAHYDROF
OLATE REDUCTASE 1

(Saccharomyces
cerevisiae) 		no annotation 4 MET A  77
LEU A  79
ARG A  95
PRO A  21
 None
 1.21A 4kmmB-6fnuA:
undetectable		 4kmmB-6fnuA:
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.
6gui -

(-) 		no annotation 4 MET A 271
LEU A  57
ARG A  97
SER A 206
 None
 1.09A 4kmmB-6guiA:
2.6		 4kmmB-6guiA:
undetectable