SIMILAR PATTERNS OF AMINO ACIDS FOR 5KKL_B_SAMB8009_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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 LEU A  66
GLY A   3
TYR A   2
TYR A 523
LEU A 487
 None
 1.27A 5kklB-1aorA:
undetectable		 5kklB-1aorA:
20.98
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.
1e33 ARYLSULFATASE A

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 LEU P 336
GLY P  79
TYR P 222
PHE P 141
MET P 120
 None
 1.49A 5kklB-1e33P:
undetectable		 5kklB-1e33P:
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.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 LEU A  61
GLY A 248
TYR A  52
PHE A  99
LEU A 289
 None
 1.48A 5kklB-1fc4A:
undetectable		 5kklB-1fc4A:
17.07
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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 LEU A 116
GLY A  93
ASN A  89
TYR A  87
PHE A 363
 None
GOL  A 973 ( 4.7A)
None
None
None
 1.29A 5kklB-1fw8A:
undetectable		 5kklB-1fw8A:
18.41
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.
1gzj EGI

(Thermoascus
aurantiacus) 		PF00150
(Cellulase) 		5 GLY A 218
TYR A 259
TYR A 304
PHE A   7
LEU A 301
 None
 1.42A 5kklB-1gzjA:
undetectable		 5kklB-1gzjA:
15.77
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.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I

(Salmonella
enterica) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A 149
GLY A 454
TYR A 455
PHE A 124
LEU A 154
 None
TRP  A1001 ( 3.8A)
None
None
None
 1.38A 5kklB-1i1qA:
0.0		 5kklB-1i1qA:
19.13
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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A 149
GLY A 454
TYR A 455
PHE A 124
LEU A 154
 None
 1.38A 5kklB-1i7qA:
undetectable		 5kklB-1i7qA:
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 LEU A 579
CYH A 607
GLY A 606
LEU A 595
MET A 711
 None
 1.43A 5kklB-1l5jA:
0.0		 5kklB-1l5jA:
22.77
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU B 434
CYH B 359
GLY B 361
TYR B 363
HIS B 369
 None
 1.31A 5kklB-1n60B:
0.0		 5kklB-1n60B:
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.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 160
ASN A 241
HIS A 242
TYR A 283
LEU A 317
 SAH  A 319 ( 4.6A)
SAH  A 319 (-3.6A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
SAH  A 319 (-3.9A)
 0.88A 5kklB-1pegA:
3.4		 5kklB-1pegA:
16.13
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 LEU A 187
GLY A 164
ASN A 160
TYR A 158
PHE A  19
 None
3PG  A 451 (-3.8A)
None
None
None
 1.32A 5kklB-1qpgA:
undetectable		 5kklB-1qpgA:
17.62
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.
1wuf HYPOTHETICAL PROTEIN
LIN2664

(Listeria
innocua) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A1305
GLY A1290
ASN A1302
HIS A1301
LEU A1106
 None
 1.41A 5kklB-1wufA:
undetectable		 5kklB-1wufA:
18.33
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.
2ewo PUTATIVE AGMATINE
DEIMINASE

(Streptococcus
mutans) 		PF04371
(PAD_porph) 		5 LEU A 330
CYH A 275
TYR A 239
PHE A 311
LEU A 320
 None
 1.40A 5kklB-2ewoA:
undetectable		 5kklB-2ewoA:
17.38
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.
2g46 PBCV-1 HISTONE
H3-LYS 27
METHYLTRANSFERASE

(Paramecium
bursaria
Chlorella virus
1) 		PF00856
(SET) 		5 GLY A  15
TYR A  16
ASN A  69
HIS A  70
LEU A 111
 None
SAH  A 301 (-4.7A)
SAH  A 301 (-3.0A)
SAH  A 301 (-4.8A)
SAH  A 301 (-4.4A)
 1.38A 5kklB-2g46A:
8.3		 5kklB-2g46A:
8.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g46 PBCV-1 HISTONE
H3-LYS 27
METHYLTRANSFERASE

(Paramecium
bursaria
Chlorella virus
1) 		PF00856
(SET) 		5 GLY A  15
TYR A  16
ASN A  69
HIS A  70
TYR A 105
 None
SAH  A 301 (-4.7A)
SAH  A 301 (-3.0A)
SAH  A 301 (-4.8A)
MLZ  C 215 (-3.7A)
 1.04A 5kklB-2g46A:
8.3		 5kklB-2g46A:
8.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gkw TNF
RECEPTOR-ASSOCIATED
FACTOR 3

(Homo sapiens) 		no annotation 5 LEU A 354
GLY A 352
TYR A 388
PHE A 448
LEU A 432
 None
 1.31A 5kklB-2gkwA:
undetectable		 5kklB-2gkwA:
11.68
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		5 LEU A 330
CYH A 332
GLY A 333
PHE A 214
LEU A 110
 None
 1.40A 5kklB-2imrA:
undetectable		 5kklB-2imrA:
18.37
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.
2j04 HYPOTHETICAL PROTEIN
YPL007C

(Saccharomyces
cerevisiae) 		PF12660
(zf-TFIIIC) 		5 GLY A 342
TYR A 343
TYR A 395
PHE A  56
LEU A  29
 None
 1.48A 5kklB-2j04A:
undetectable		 5kklB-2j04A:
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		6 GLY A3840
ASN A3906
HIS A3907
TYR A3944
PHE A3946
LEU A3968
 SAH  A4971 ( 3.7A)
SAH  A4971 (-3.1A)
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
None
SAH  A4971 ( 4.9A)
 1.28A 5kklB-2w5zA:
5.2		 5kklB-2w5zA:
9.43
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ASN A 209
HIS A 210
TYR A 248
PHE A 286
LEU A 284
 SAH  A 305 (-3.4A)
None
SAH  A 305 (-4.9A)
SAH  A 305 (-4.9A)
SAH  A 305 (-4.5A)
 1.02A 5kklB-3bo5A:
3.4		 5kklB-3bo5A:
15.36
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 136
ASN A 209
HIS A 210
TYR A 248
PHE A 286
 SAH  A 305 (-3.8A)
SAH  A 305 (-3.4A)
None
SAH  A 305 (-4.9A)
SAH  A 305 (-4.9A)
 0.61A 5kklB-3bo5A:
3.4		 5kklB-3bo5A:
15.36
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.
3dpr PROTEIN VP2
PROTEIN VP3

(Rhinovirus A;
Rhinovirus A) 		PF00073
(Rhv)
PF00073
(Rhv) 		5 LEU C  98
GLY C 100
ASN B 183
TYR C  68
LEU C  52
 None
 1.39A 5kklB-3dprC:
undetectable		 5kklB-3dprC:
13.72
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.
3dpr PROTEIN VP2
PROTEIN VP3

(Rhinovirus A;
Rhinovirus A) 		PF00073
(Rhv)
PF00073
(Rhv) 		5 LEU C  98
GLY C 100
ASN B 183
TYR C  68
MET C  67
 None
 1.37A 5kklB-3dprC:
undetectable		 5kklB-3dprC:
13.72
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.
3epu STM2138 VIRULENCE
CHAPERONE

(Salmonella
enterica) 		PF05932
(CesT) 		5 LEU A  96
GLY A  53
TYR A  37
PHE A  12
LEU A 108
 None
 1.37A 5kklB-3epuA:
undetectable		 5kklB-3epuA:
8.75
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.
3gzj POLYNEURIDINE-ALDEHY
DE ESTERASE

(Rauvolfia
serpentina) 		PF00561
(Abhydrolase_1) 		5 LEU A  83
GLY A  85
TYR A 210
TYR A 203
PHE A 198
 None
 1.37A 5kklB-3gzjA:
undetectable		 5kklB-3gzjA:
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 LEU X  15
GLY X  12
TYR X  93
PHE X 212
LEU X 187
 C8E  X 623 (-4.6A)
None
None
None
None
 1.26A 5kklB-3kvnX:
undetectable		 5kklB-3kvnX:
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.
3mam OSMOPROTECTION
PROTEIN (PROX)

(Archaeoglobus
fulgidus) 		PF04069
(OpuAC) 		5 GLY A  11
TYR A  19
PHE A 107
LEU A 105
MET A 246
 None
 1.30A 5kklB-3mamA:
undetectable		 5kklB-3mamA:
15.12
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.
3mhu DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
major) 		PF01180
(DHO_dh) 		5 GLY A 122
TYR A  90
ASN A  10
PHE A 247
MET A 268
 None
 1.23A 5kklB-3mhuA:
undetectable		 5kklB-3mhuA:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 LEU A 126
CYH A 125
GLY A 124
ASN A 200
LEU A 132
 None
 1.42A 5kklB-3n71A:
5.5		 5kklB-3n71A:
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 102
ASN A 169
HIS A 170
TYR A 207
LEU A 230
 SAM  A 237 ( 3.7A)
SAM  A 237 (-3.3A)
SAM  A 237 (-4.7A)
None
SAM  A 237 (-4.8A)
 0.93A 5kklB-3ooiA:
4.5		 5kklB-3ooiA:
13.11
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 LEU B 180
GLY B 183
TYR B 269
PHE B 328
LEU B 324
 None
 1.42A 5kklB-3pdiB:
undetectable		 5kklB-3pdiB:
19.43
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.
3q3v PHOSPHOGLYCERATE
KINASE

(Campylobacter
jejuni) 		PF00162
(PGK) 		5 LEU A 175
GLY A 148
ASN A 144
TYR A 142
PHE A  18
 None
 1.25A 5kklB-3q3vA:
undetectable		 5kklB-3q3vA:
18.36
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.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLY A  74
TYR A  75
ASN A 251
HIS A 252
TYR A 285
 SAM  A 484 (-3.4A)
None
SAM  A 484 (-3.1A)
None
SAM  A 484 (-4.8A)
 0.51A 5kklB-3rc0A:
2.7		 5kklB-3rc0A:
19.62
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 281
TYR A 307
ASN A 305
TYR A 325
LEU A 289
 AMP  A 601 ( 3.4A)
AMP  A 601 (-4.9A)
AMP  A 601 (-3.6A)
None
None
 1.42A 5kklB-3vnsA:
undetectable		 5kklB-3vnsA:
21.59
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 281
TYR A 413
ASN A 305
TYR A 325
LEU A 289
 AMP  A 601 ( 3.4A)
AMP  A 601 (-3.4A)
AMP  A 601 (-3.6A)
None
None
 1.26A 5kklB-3vnsA:
undetectable		 5kklB-3vnsA:
21.59
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.
3wo8 BETA-N-ACETYLGLUCOSA
MINIDASE

(Thermotoga
maritima) 		PF00933
(Glyco_hydro_3) 		5 GLY A   6
TYR A 285
TYR A  27
PHE A  51
LEU A  52
 None
 1.27A 5kklB-3wo8A:
undetectable		 5kklB-3wo8A:
20.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		5 GLY A  47
TYR A  50
PHE A  82
LEU A  81
MET A  87
 FAD  A 601 (-3.4A)
None
None
None
None
 1.49A 5kklB-3x0vA:
undetectable		 5kklB-3x0vA:
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.
4gjh TNF
RECEPTOR-ASSOCIATED
FACTOR 5

(Mus musculus) 		no annotation 5 LEU A 354
GLY A 352
TYR A 388
PHE A 448
LEU A 432
 None
 1.33A 5kklB-4gjhA:
undetectable		 5kklB-4gjhA:
11.36
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.
4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI

(Escherichia
coli) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 GLY A 304
TYR A 305
TYR A 406
LEU A 328
MET A 379
 None
SO4  A 503 (-4.8A)
None
None
None
 1.20A 5kklB-4im7A:
undetectable		 5kklB-4im7A:
21.34
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans) 		PF01012
(ETF) 		5 CYH B 116
GLY B 117
TYR B  37
TYR B  40
LEU B 113
 FAD  B 301 (-4.0A)
FAD  B 301 (-3.3A)
FAD  A 401 (-4.1A)
None
None
 1.38A 5kklB-4kpuB:
undetectable		 5kklB-4kpuB:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qaw XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6)
PF17189
(Glyco_hydro_30C) 		5 GLY A 274
TYR A 273
TYR A 230
TYR A 264
MET A 226
 None
 1.21A 5kklB-4qawA:
undetectable		 5kklB-4qawA:
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.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 GLY A 457
ASN A 551
HIS A 552
TYR A 593
LEU A 623
 SAH  A 801 (-3.6A)
SAH  A 801 (-3.2A)
None
None
None
 0.90A 5kklB-4qeoA:
9.4		 5kklB-4qeoA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		5 GLY A 122
TYR A  90
ASN A  10
PHE A 247
MET A 268
 None
 1.19A 5kklB-4wzhA:
undetectable		 5kklB-4wzhA:
16.83
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		5 GLY A5408
TYR A5472
ASN A5474
HIS A5475
TYR A5512
 SAH  A5602 (-3.6A)
None
SAH  A5602 (-3.1A)
None
None
 0.37A 5kklB-4z4pA:
5.7		 5kklB-4z4pA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvo UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 46

(Homo sapiens) 		PF00443
(UCH) 		5 CYH B  46
TYR B 314
ASN B  47
PHE B  84
LEU B  83
 None
 1.46A 5kklB-5cvoB:
undetectable		 5kklB-5cvoB:
16.81
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		5 GLY A4782
TYR A4846
ASN A4848
HIS A4849
TYR A4886
 SAH  A5002 (-3.5A)
SAH  A5002 (-4.9A)
SAH  A5002 (-2.7A)
SAH  A5002 (-4.6A)
None
 0.38A 5kklB-5f59A:
5.9		 5kklB-5f59A:
7.88
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.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		6 GLY A3840
ASN A3906
HIS A3907
TYR A3944
PHE A3946
LEU A3968
 SAH  A4001 (-3.4A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
None
None
 1.17A 5kklB-5f6lA:
6.9		 5kklB-5f6lA:
7.78
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 LEU A 745
GLY A 723
TYR A 852
ASN A 744
LEU A 742
 None
75C  A1301 (-3.4A)
75C  A1301 (-3.8A)
75C  A1301 (-3.3A)
None
 1.50A 5kklB-5ja1A:
2.5		 5kklB-5ja1A:
22.49
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.
5jyl SCFV TSP7

(Mus musculus) 		PF07686
(V-set) 		5 LEU B 184
TYR B 188
TYR B 170
ASN B 172
MET B 142
 None
 1.48A 5kklB-5jylB:
undetectable		 5kklB-5jylB:
12.89
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.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LEU A 281
GLY A 279
PHE A 225
LEU A 230
MET A 245
 None
 1.02A 5kklB-5kufA:
undetectable		 5kklB-5kufA:
22.25
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 LEU A 293
GLY A 289
TYR A 290
LEU A 282
MET A 267
 None
 1.36A 5kklB-5lh9A:
undetectable		 5kklB-5lh9A:
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.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 5 LEU A 485
GLY A 458
ASN A 463
PHE A 518
LEU A 516
 None
 1.35A 5kklB-5m11A:
undetectable		 5kklB-5m11A:
21.28
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.
5msz THERMOBIA DOMESTICA
DOMESTICA AA15

(Thermobia
domestica) 		no annotation 5 GLY A  49
TYR A 184
ASN A 186
PHE A  97
LEU A 156
 None
CU1  A 303 (-4.9A)
None
None
None
 1.46A 5kklB-5mszA:
undetectable		 5kklB-5mszA:
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 5 GLY B 381
TYR B 394
TYR B 436
PHE B 430
LEU B 439
 None
 1.48A 5kklB-5ofbB:
undetectable		 5kklB-5ofbB:
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1049
ASN A1112
HIS A1113
TYR A1154
PHE A1158
 SAM  A1505 ( 3.9A)
SAM  A1505 (-3.4A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
7L6  A1506 (-4.3A)
 0.61A 5kklB-5tuyA:
4.1		 5kklB-5tuyA:
14.62
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.
5uwa PROBABLE
PHOSPHOLIPID-BINDING
PROTEIN MLAC

(Escherichia
coli) 		PF05494
(MlaC) 		5 LEU A 101
TYR A 164
TYR A  72
TYR A  93
LEU A 197
 None
 1.37A 5kklB-5uwaA:
undetectable		 5kklB-5uwaA:
12.34
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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1137
ASN A1200
HIS A1201
TYR A1242
PHE A1246
 SAM  A3001 (-3.6A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
 0.66A 5kklB-5vsdA:
5.4		 5kklB-5vsdA:
15.65
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.
5w1j THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Echinococcus
granulosus) 		no annotation 5 CYH A 310
GLY A 309
ASN A 285
HIS A 284
LEU A 282
 None
 1.47A 5kklB-5w1jA:
undetectable		 5kklB-5w1jA:
20.76
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.
5wez TIR CHAPERONE

(Escherichia
coli) 		no annotation 5 LEU A  97
GLY A  53
TYR A  37
PHE A  12
LEU A 109
 None
 1.35A 5kklB-5wezA:
undetectable		 5kklB-5wezA:
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.
5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA

(Chaetomium
thermophilum) 		no annotation 7 GLY B 808
TYR B 809
TYR B 878
ASN B 880
HIS B 881
TYR B 918
PHE B 922
 A97  B8009 (-3.4A)
A97  B8009 (-4.7A)
A97  B8009 (-4.9A)
A97  B8009 (-3.9A)
None
None
None
 1.41A 5kklB-5wfcB:
47.2		 5kklB-5wfcB:
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.
5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA

(Chaetomium
thermophilum) 		no annotation 8 LEU B 804
CYH B 807
GLY B 808
TYR B 809
TYR B 878
ASN B 880
HIS B 881
TYR B 918
 None
None
A97  B8009 (-3.4A)
A97  B8009 (-4.7A)
A97  B8009 (-4.9A)
A97  B8009 (-3.9A)
None
None
 0.36A 5kklB-5wfcB:
47.2		 5kklB-5wfcB:
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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 5 LEU C 503
GLY C 568
TYR C 565
PHE C 189
MET C 577
 None
 1.41A 5kklB-5x6xC:
undetectable		 5kklB-5x6xC:
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.
6apj ALPHA-N-ACETYLGALACT
OSAMINIDE
ALPHA-2,6-SIALYLTRAN
SFERASE 2

(Homo sapiens) 		no annotation 5 LEU A 275
GLY A 198
TYR A 197
TYR A 227
PHE A 138
 None
 1.47A 5kklB-6apjA:
undetectable		 5kklB-6apjA:
undetectable