SIMILAR PATTERNS OF AMINO ACIDS FOR 3RQ4_A_SAMA500

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.
1oki BETA CRYSTALLIN B1

(Homo sapiens) 		PF00030
(Crystall) 		5 GLY A  56
SER A  96
PHE A 138
CYH A  79
GLU A  78
 None
 1.37A 3rq4A-1okiA:
undetectable		 3rq4A-1okiA:
19.92
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.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ASN A 241
HIS A 242
TYR A 283
CYH A 306
CYH A 308
 SAH  A 319 (-3.6A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
ZN  A   4 ( 2.3A)
ZN  A   4 (-2.2A)
 0.49A 3rq4A-1pegA:
6.1		 3rq4A-1pegA:
24.76
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ASN A 219
HIS A 220
TYR A 261
CYH A 287
CYH A 289
 SAM  A 304 (-3.3A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
ZN  A 300 ( 2.3A)
 0.43A 3rq4A-2r3aA:
6.1		 3rq4A-2r3aA:
22.22
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		5 ASN A3906
HIS A3907
TYR A3944
CYH A3957
CYH A3959
 SAH  A4971 (-3.1A)
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 ( 2.3A)
ZN  A4970 (-2.3A)
 0.40A 3rq4A-2w5zA:
9.4		 3rq4A-2w5zA:
24.60
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ASN A 209
HIS A 210
TYR A 248
CYH A 273
CYH A 275
 SAH  A 305 (-3.4A)
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
ZN  A 304 ( 2.3A)
 0.48A 3rq4A-3bo5A:
8.9		 3rq4A-3bo5A:
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 ASN A 205
HIS A 206
TYR A 252
PHE A 272
CYH A 274
 SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
SFG  A 491 (-3.7A)
ZN  A 497 (-2.2A)
 0.98A 3rq4A-3n71A:
7.2		 3rq4A-3n71A:
18.32
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 ASN A 169
HIS A 170
TYR A 207
CYH A 219
CYH A 221
 SAM  A 237 (-3.3A)
SAM  A 237 (-4.7A)
None
ZN  A 232 ( 2.3A)
ZN  A 232 (-2.3A)
 0.34A 3rq4A-3ooiA:
9.6		 3rq4A-3ooiA:
25.56
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.
3ope PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L

(Homo sapiens) 		PF00856
(SET) 		5 ASN A2217
HIS A2218
TYR A2255
CYH A2268
CYH A2270
 SAM  A   7 (-3.9A)
None
None
ZN  A   1 ( 2.5A)
ZN  A   1 (-2.7A)
 0.48A 3rq4A-3opeA:
9.4		 3rq4A-3opeA:
23.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		5 GLY A 156
SER A 161
HIS A 183
TYR A 217
CYH A 229
 None
None
SAH  A1247 (-4.6A)
None
ZN  A1248 ( 2.3A)
 1.28A 3rq4A-4au7A:
37.0		 3rq4A-4au7A:
93.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		11 TYR A 114
GLU A 117
GLY A 120
SER A 161
ASN A 182
HIS A 183
TYR A 217
PHE A 222
CYH A 229
GLU A 230
CYH A 231
 SAH  A1247 ( 3.6A)
SAH  A1247 (-2.8A)
SAH  A1247 (-3.2A)
None
SAH  A1247 (-3.1A)
SAH  A1247 (-4.6A)
None
SAH  A1247 (-4.0A)
ZN  A1248 ( 2.3A)
EDO  A1251 ( 2.8A)
ZN  A1248 ( 2.2A)
 0.47A 3rq4A-4au7A:
37.0		 3rq4A-4au7A:
93.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		5 TYR A 114
MET A 116
GLY A 120
GLU A 230
CYH A 229
 SAH  A1247 ( 3.6A)
EDO  A1251 (-4.4A)
SAH  A1247 (-3.2A)
EDO  A1251 ( 2.8A)
ZN  A1248 ( 2.3A)
 1.33A 3rq4A-4au7A:
37.0		 3rq4A-4au7A:
93.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Trypanosoma
brucei) 		PF01704
(UDPGP) 		5 GLY A 322
SER A 416
HIS A 299
CYH A 409
GLU A 408
 None
 1.31A 3rq4A-4bqhA:
undetectable		 3rq4A-4bqhA:
19.48
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 TYR A 235
GLY A 233
HIS A 225
PHE A 622
GLU A 620
 None
 1.23A 3rq4A-4l37A:
undetectable		 3rq4A-4l37A:
16.14
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.
4p5i CHEMOKINE BINDING
PROTEIN

(Orf virus) 		PF02250
(Orthopox_35kD) 		5 GLY A 269
SER A 125
HIS A  21
PHE A  17
GLU A  13
 None
 1.34A 3rq4A-4p5iA:
undetectable		 3rq4A-4p5iA:
22.22
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.
4pfy ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 TYR A 418
SER A 460
ASN A 432
PHE A 427
GLU A 382
 None
 1.32A 3rq4A-4pfyA:
undetectable		 3rq4A-4pfyA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 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 ASN A 551
HIS A 552
TYR A 593
CYH A 612
CYH A 614
 SAH  A 801 (-3.2A)
None
None
ZN  A 805 ( 2.4A)
ZN  A 805 ( 2.4A)
 0.40A 3rq4A-4qeoA:
2.2		 3rq4A-4qeoA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		5 ASN A5474
HIS A5475
TYR A5512
CYH A5525
CYH A5527
 SAH  A5602 (-3.1A)
None
None
ZN  A5601 ( 2.2A)
ZN  A5601 ( 2.2A)
 0.34A 3rq4A-4z4pA:
11.1		 3rq4A-4z4pA:
23.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		5 GLY B 246
SER B 251
HIS B 273
TYR B 307
CYH B 319
 None
SAM  B 402 (-3.9A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.3A)
 1.43A 3rq4A-5cprB:
33.6		 3rq4A-5cprB:
58.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		11 TYR B 203
GLU B 206
GLY B 209
SER B 251
ASN B 272
HIS B 273
TYR B 307
PHE B 312
CYH B 319
GLU B 320
CYH B 321
 SAM  B 402 (-3.7A)
SAM  B 402 (-2.9A)
SAM  B 402 (-3.4A)
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)
ZN  B 401 ( 2.3A)
SAM  B 402 (-4.6A)
ZN  B 401 ( 2.2A)
 0.19A 3rq4A-5cprB:
33.6		 3rq4A-5cprB:
58.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		8 TYR B 203
GLU B 206
GLY B 209
SER B 251
HIS B 273
TYR B 307
CYH B 321
GLU B 320
 SAM  B 402 (-3.7A)
SAM  B 402 (-2.9A)
SAM  B 402 (-3.4A)
SAM  B 402 (-3.9A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.2A)
SAM  B 402 (-4.6A)
 1.42A 3rq4A-5cprB:
33.6		 3rq4A-5cprB:
58.96
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		5 ASN A4848
HIS A4849
TYR A4886
CYH A4899
CYH A4901
 SAH  A5002 (-2.7A)
SAH  A5002 (-4.6A)
None
ZN  A5001 ( 2.0A)
ZN  A5001 (-2.3A)
 0.42A 3rq4A-5f59A:
10.8		 3rq4A-5f59A:
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		5 GLY A4823
HIS A4849
TYR A4886
PHE A4888
CYH A4899
 None
SAH  A5002 (-4.6A)
None
None
ZN  A5001 ( 2.0A)
 1.04A 3rq4A-5f59A:
10.8		 3rq4A-5f59A:
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.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		5 ASN A3906
HIS A3907
TYR A3944
CYH A3957
CYH A3959
 SAH  A4001 (-3.0A)
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
ZN  A4002 ( 2.3A)
ZN  A4002 (-2.3A)
 0.46A 3rq4A-5f6lA:
10.7		 3rq4A-5f6lA:
22.71
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 ASN A 206
HIS A 207
TYR A 240
PHE A 260
CYH A 262
 SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
SAM  A 501 (-3.6A)
ZN  A 505 (-2.3A)
 0.98A 3rq4A-5kjmA:
8.0		 3rq4A-5kjmA:
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.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		5 ASN A1141
HIS A1142
TYR A1179
CYH A1191
CYH A1193
 SAM  A1304 (-2.9A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 ( 2.3A)
ZN  A1301 (-2.3A)
 0.37A 3rq4A-5lsuA:
9.5		 3rq4A-5lsuA:
23.37
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 TYR A 430
GLY A 425
SER A 468
TYR A 477
CYH A 454
 TRX  A 429 ( 3.6A)
None
None
None
None
 1.50A 3rq4A-5n28A:
2.9		 3rq4A-5n28A:
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A

(Methanothermococcus
thermolithotrophicus;
Methanothermococcus
thermolithotrophicus) 		PF01058
(Oxidored_q6)
PF00374
(NiFeSe_Hases) 		5 GLU E  57
GLY E  58
SER E  18
CYH F 442
CYH F 445
 SF4  E 302 (-3.8A)
SF4  E 302 ( 4.9A)
None
NFU  F 501 (-2.2A)
NFU  F 501 (-2.4A)
 1.23A 3rq4A-5odrE:
undetectable		 3rq4A-5odrE:
20.50
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.
5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		PF01058
(Oxidored_q6)
PF00374
(NiFeSe_Hases) 		5 GLU C  67
GLY C  68
SER C  30
CYH D 462
CYH D 465
 SF4  C 201 ( 3.6A)
SF4  C 201 ( 4.5A)
None
NI  D 502 ( 2.3A)
FCO  D 501 ( 2.3A)
 1.17A 3rq4A-5xfaC:
undetectable		 3rq4A-5xfaC:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xxg -

(-) 		no annotation 5 ASN A 205
HIS A 206
TYR A 239
PHE A 259
CYH A 261
 SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
SAM  A 502 (-3.5A)
ZN  A 503 (-2.2A)
 1.07A 3rq4A-5xxgA:
7.2		 3rq4A-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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 5 ASN A1223
HIS A1224
TYR A1261
CYH A1273
CYH A1275
 SAM  A1301 (-3.2A)
None
SAM  A1301 (-4.9A)
ZN  A1304 ( 2.3A)
ZN  A1304 (-2.3A)
 0.48A 3rq4A-6cenA:
6.4		 3rq4A-6cenA:
25.38