SIMILAR PATTERNS OF AMINO ACIDS FOR 2H21_C_SAMC803_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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLU B 660
GLY B 805
LEU B 806
HIS B 659
TYR B 809
 None
 1.36A 2h21C-1gl9B:
undetectable		 2h21C-1gl9B:
18.79
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.
1iqt HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN D0

(Homo sapiens) 		PF00076
(RRM_1) 		5 GLY A 248
LEU A 249
ASN A 246
HIS A 245
PHE A 202
 None
 1.17A 2h21C-1iqtA:
undetectable		 2h21C-1iqtA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 GLU A 594
GLY A 658
LEU A 659
TYR A 587
PHE A 591
 None
 1.50A 2h21C-1w6jA:
undetectable		 2h21C-1w6jA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2asn NITROPHORIN 2

(Rhodnius
prolixus) 		PF02087
(Nitrophorin) 		5 GLU X 124
GLY X 125
ASN X 102
TYR X  85
TYR X 104
 None
None
None
HEM  X 201 (-3.6A)
HEM  X 201 (-4.3A)
 1.35A 2h21C-2asnX:
undetectable		 2h21C-2asnX:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 328
LEU A 327
PRO A 545
ASN A 386
HIS A 385
 None
 1.28A 2h21C-2e7zA:
undetectable		 2h21C-2e7zA:
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.
2gbx BIPHENYL
2,3-DIOXYGENASE
ALPHA SUBUNIT

(Sphingobium
yanoikuyae) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 GLY A 292
LEU A 291
TYR A 396
TYR A 167
PHE A 242
 None
 1.46A 2h21C-2gbxA:
undetectable		 2h21C-2gbxA:
22.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		11 GLU A  80
GLY A  81
LEU A  82
PRO A 151
SER A 221
ARG A 222
ASN A 242
HIS A 243
TYR A 287
TYR A 300
PHE A 302
 None
SAM  A 801 (-3.7A)
SAM  A 801 (-3.7A)
None
SAM  A 801 (-4.3A)
SAM  A 801 (-3.3A)
SAM  A 801 (-2.9A)
SAM  A 801 (-4.9A)
SAM  A 801 (-4.8A)
None
SAM  A 801 (-3.9A)
 0.41A 2h21C-2h21A:
51.0		 2h21C-2h21A:
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.
2iny HEXON PROTEIN

(Fowl
aviadenovirus A) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 672
SER A 516
ARG A 515
HIS A 507
TYR A 289
 None
 1.43A 2h21C-2inyA:
undetectable		 2h21C-2inyA:
18.55
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.
2uvj ABC TYPE PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Yersinia
enterocolitica) 		PF13416
(SBP_bac_8) 		5 GLY A 344
LEU A 341
SER A 277
ASN A 270
TYR A 146
 None
 1.43A 2h21C-2uvjA:
undetectable		 2h21C-2uvjA:
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 GLY A 780
LEU A 779
ARG A 769
ASN A 684
PHE A 638
 None
 1.18A 2h21C-2xvgA:
undetectable		 2h21C-2xvgA:
18.83
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.
2z4t BETA-GALACTOSIDE
ALPHA-2,6-SIALYLTRAN
SFERASE

(Photobacterium
sp. JT-ISH-224) 		PF11477
(PM0188) 		5 GLY A 233
PRO A 127
TYR A 280
TYR A 290
PHE A 292
 GOL  A3004 (-3.3A)
None
None
None
None
 1.06A 2h21C-2z4tA:
undetectable		 2h21C-2z4tA:
23.26
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.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLU O  50
ARG O 169
ASN O  47
HIS O  46
PHE O  34
 None
 1.00A 2h21C-2zf5O:
undetectable		 2h21C-2zf5O:
22.10
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 GLY A 411
LEU A 432
ARG A 397
TYR A 562
TYR A 407
 None
 1.20A 2h21C-3auoA:
undetectable		 2h21C-3auoA:
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.
3bnk FLAVOREDOXIN

(Methanosarcina
acetivorans) 		PF01613
(Flavin_Reduct) 		5 GLY A  22
LEU A  21
ASN A  70
TYR A 141
PHE A 100
 None
 1.47A 2h21C-3bnkA:
undetectable		 2h21C-3bnkA:
16.59
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.
3f9u PUTATIVE EXPORTED
CYTOCHROME C
BIOGENESIS-RELATED
PROTEIN

(Bacteroides
fragilis) 		PF13899
(Thioredoxin_7) 		5 GLY A 661
LEU A 662
PRO A 546
TYR A 654
TYR A 631
 None
 1.35A 2h21C-3f9uA:
undetectable		 2h21C-3f9uA:
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.
3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 GLU A 221
GLY A 222
LEU A 223
PRO A  11
ASN A 220
 None
DTD  A 522 (-3.7A)
DTD  A 522 ( 4.8A)
DTD  A 522 (-4.2A)
DTD  A 522 (-3.0A)
 1.45A 2h21C-3mzbA:
undetectable		 2h21C-3mzbA:
23.61
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  16
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 None
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 1.33A 2h21C-3n71A:
8.6		 2h21C-3n71A:
23.24
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		6 GLY A  18
ASN A 205
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 SFG  A 491 ( 4.2A)
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 0.54A 2h21C-3n71A:
8.6		 2h21C-3n71A:
23.24
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 None
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 1.16A 2h21C-3n71A:
8.6		 2h21C-3n71A:
23.24
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
LEU A 203
HIS A 206
TYR A 252
PHE A 272
 None
None
None
SFG  A 491 (-4.8A)
SFG  A 491 (-3.7A)
 1.32A 2h21C-3n71A:
8.6		 2h21C-3n71A:
23.24
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 LEU A 203
ASN A 205
HIS A 206
TYR A 252
PHE A 272
 None
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
SFG  A 491 (-3.7A)
 1.47A 2h21C-3n71A:
8.6		 2h21C-3n71A:
23.24
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.
3oru DUF1989 FAMILY
PROTEIN

(Ruegeria sp.
TM1040) 		PF09347
(DUF1989) 		5 GLY A  73
SER A 101
ARG A 103
TYR A  78
PHE A  70
 None
 1.40A 2h21C-3oruA:
undetectable		 2h21C-3oruA:
19.76
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLU A 252
SER A 377
ARG A 144
HIS A 346
PHE A 248
 None
 1.38A 2h21C-3popA:
undetectable		 2h21C-3popA:
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.
3q8y NUCLEOSIDE
DIPHOSPHATE KINASE

(Staphylococcus
aureus) 		PF00334
(NDK) 		5 GLU A  76
GLY A  77
LEU A  30
ARG A 143
TYR A 139
 None
 1.46A 2h21C-3q8yA:
undetectable		 2h21C-3q8yA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		7 GLY A  74
PRO A 148
ASN A 251
HIS A 252
TYR A 285
TYR A 297
PHE A 299
 SAM  A 484 (-3.4A)
None
SAM  A 484 (-3.1A)
None
SAM  A 484 (-4.8A)
None
SAM  A 484 (-3.5A)
 0.87A 2h21C-3rc0A:
29.0		 2h21C-3rc0A:
25.81
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.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		8 GLU A 103
GLY A 104
PRO A 179
ARG A 253
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 None
SAM  A1000 ( 4.5A)
SAM  A1000 ( 4.4A)
SAM  A1000 (-2.7A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.71A 2h21C-3smtA:
31.3		 2h21C-3smtA:
27.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLU A 103
GLY A 106
LEU A 107
TYR A 312
PHE A 326
 None
None
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 1.46A 2h21C-3smtA:
31.3		 2h21C-3smtA:
27.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wso F-BOX ONLY PROTEIN
44

(Homo sapiens) 		PF04300
(FBA)
PF12937
(F-box-like) 		5 GLU A  89
GLY A  90
SER A  95
ASN A  84
HIS A  83
 None
 1.31A 2h21C-3wsoA:
undetectable		 2h21C-3wsoA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		5 GLY A 290
LEU A 289
SER A 260
HIS A 257
PHE A 253
 None
 1.45A 2h21C-4ap5A:
undetectable		 2h21C-4ap5A:
24.12
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.
4ars HISTIDINE ACID
PHOSPHATASE

(Hafnia alvei) 		PF00328
(His_Phos_2) 		5 GLU A  54
GLY A  53
LEU A  56
PRO A 332
SER A  17
 None
 1.35A 2h21C-4arsA:
undetectable		 2h21C-4arsA:
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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 GLY A 376
LEU A 375
SER A 281
HIS A 278
TYR A 279
 None
 1.44A 2h21C-4evqA:
undetectable		 2h21C-4evqA:
22.64
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF02128
(Peptidase_M36) 		5 GLU A 360
GLY A 374
LEU A 375
PRO A 443
ARG A 438
 None
None
None
None
CA  A 702 (-4.7A)
 1.42A 2h21C-4k90A:
undetectable		 2h21C-4k90A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nj5 PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH9

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 GLY A 291
PRO A 248
SER A 299
ASN A 293
TYR A 348
 None
 1.43A 2h21C-4nj5A:
5.5		 2h21C-4nj5A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r84 SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		5 GLY A 230
PRO A 124
TYR A 276
TYR A 286
PHE A 288
 None
 1.06A 2h21C-4r84A:
undetectable		 2h21C-4r84A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r9v SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		5 GLY A 230
PRO A 124
TYR A 276
TYR A 286
PHE A 288
 None
 1.14A 2h21C-4r9vA:
undetectable		 2h21C-4r9vA:
22.81
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		5 GLY A5408
LEU A5409
ASN A5474
HIS A5475
TYR A5512
 SAH  A5602 (-3.6A)
SAH  A5602 (-4.1A)
SAH  A5602 (-3.1A)
None
None
 0.30A 2h21C-4z4pA:
7.5		 2h21C-4z4pA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		5 GLU A 320
GLY A 323
PRO A  22
SER A 352
TYR A 355
 None
 1.46A 2h21C-4zr8A:
undetectable		 2h21C-4zr8A:
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.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		5 SER B 251
ASN B 272
HIS B 273
TYR B 307
PHE B 312
 SAM  B 402 (-3.9A)
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
 1.32A 2h21C-5cprB:
5.9		 2h21C-5cprB:
21.35
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 GLY A 250
LEU A 502
TYR A 488
TYR A 451
PHE A 452
 None
 1.35A 2h21C-5d0fA:
undetectable		 2h21C-5d0fA:
15.55
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		5 GLY A4782
LEU A4783
ASN A4848
HIS A4849
TYR A4886
 SAH  A5002 (-3.5A)
SAH  A5002 (-4.3A)
SAH  A5002 (-2.7A)
SAH  A5002 (-4.6A)
None
 0.39A 2h21C-5f59A:
7.9		 2h21C-5f59A:
15.79
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.
5g0a TRANSAMINASE

(Bacillus
megaterium) 		PF00202
(Aminotran_3) 		5 GLY A  65
LEU A  64
SER A 360
ASN A  57
PHE A  55
 None
 1.41A 2h21C-5g0aA:
undetectable		 2h21C-5g0aA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1k TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 GLY A 237
LEU A 174
SER A 146
TYR A 145
PHE A 170
 None
 1.28A 2h21C-5j1kA:
undetectable		 2h21C-5j1kA:
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.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 GLY B 237
LEU B 174
SER B 146
TYR B 145
PHE B 170
 None
 1.25A 2h21C-5j1lB:
undetectable		 2h21C-5j1lB:
17.53
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		6 GLY A  18
ASN A 206
HIS A 207
TYR A 240
TYR A 258
PHE A 260
 SAM  A 501 ( 4.1A)
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 0.55A 2h21C-5kjmA:
11.1		 2h21C-5kjmA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
HIS A 207
TYR A 240
TYR A 258
PHE A 260
 None
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 1.16A 2h21C-5kjmA:
11.1		 2h21C-5kjmA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
LEU A  21
TYR A 240
TYR A 258
PHE A 260
 None
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 1.45A 2h21C-5kjmA:
11.1		 2h21C-5kjmA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1049
SER A1084
ASN A1112
HIS A1113
TYR A1154
 SAM  A1505 ( 3.9A)
SAM  A1505 (-3.8A)
SAM  A1505 (-3.4A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
 0.50A 2h21C-5tuyA:
6.1		 2h21C-5tuyA:
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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1137
SER A1172
ASN A1200
HIS A1201
TYR A1242
 SAM  A3001 (-3.6A)
SAM  A3001 (-3.7A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
 0.55A 2h21C-5vsdA:
6.7		 2h21C-5vsdA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xxg -

(-) 		no annotation 6 GLY A  15
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.53A 2h21C-5xxgA:
10.1		 2h21C-5xxgA:
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.
5xxg -

(-) 		no annotation 5 GLY A  17
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.06A 2h21C-5xxgA:
10.1		 2h21C-5xxgA:
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.
5xxg -

(-) 		no annotation 5 GLY A  17
LEU A  18
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.35A 2h21C-5xxgA:
10.1		 2h21C-5xxgA:
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 5 GLY A 478
ASN A  68
TYR A  33
TYR A 484
PHE A  11
 None
 1.37A 2h21C-5z5dA:
undetectable		 2h21C-5z5dA:
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 5 GLY A 444
LEU A 443
SER A 411
HIS A 417
TYR A 414
 None
 1.45A 2h21C-6bszA:
undetectable		 2h21C-6bszA:
undetectable