SIMILAR PATTERNS OF AMINO ACIDS FOR 5M8N_D_MMSD515_1

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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		6 HIS A 177
HIS A 324
ASN A 325
HIS A 328
THR A 351
SER A 354
 CU  A 629 (-3.2A)
CU  A 630 (-3.3A)
None
CU  A 630 (-3.2A)
None
None
 0.82A 5m8nD-1llaA:
7.4		 5m8nD-1llaA:
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.
1wx4 TYROSINASE

(Streptomyces
castaneoglobisporus) 		PF00264
(Tyrosinase) 		5 HIS A  54
HIS A 190
ASN A 191
HIS A 194
SER A 206
 CU  A 400 ( 3.3A)
CU  A 401 ( 3.2A)
None
CU  A 401 ( 3.2A)
PER  A 409 ( 4.1A)
 0.42A 5m8nD-1wx4A:
28.9		 5m8nD-1wx4A:
22.35
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.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		5 HIS A 329
HIS A 332
ASN A  15
LEU A  19
SER A 149
 None
 1.28A 5m8nD-2jbwA:
0.0		 5m8nD-2jbwA:
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.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 HIS A 189
HIS A 279
LEU A 278
THR A 281
SER A 320
 FMN  A7401 (-4.4A)
None
None
None
FMN  A7401 ( 4.2A)
 1.11A 5m8nD-2q3oA:
0.0		 5m8nD-2q3oA:
22.78
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.
3d8h GLYCOLYTIC
PHOSPHOGLYCERATE
MUTASE

(Cryptosporidium
parvum) 		PF00300
(His_Phos_1) 		5 HIS A  28
HIS A 201
LEU A 205
THR A  74
SER A  75
 None
 1.26A 5m8nD-3d8hA:
0.0		 5m8nD-3d8hA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 174
HIS A 321
ASN A 322
HIS A 325
THR A 348
 None
 1.16A 5m8nD-3ixwA:
6.9		 5m8nD-3ixwA:
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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 321
ASN A 322
HIS A 325
THR A 348
SER A 351
 None
 0.93A 5m8nD-3ixwA:
6.9		 5m8nD-3ixwA:
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS A 203
TYR A 208
HIS A 357
ASN A 358
HIS A 361
 CUO  A 708 (-3.5A)
None
CUO  A 708 (-3.3A)
None
CUO  A 708 (-3.2A)
 1.05A 5m8nD-3wkyA:
8.5		 5m8nD-3wkyA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2974
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.28A 5m8nD-4bedB:
19.1		 5m8nD-4bedB:
13.21
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 HIS A 108
HIS A 239
ASN A 240
HIS A 243
LEU A 244
 CU  A 402 ( 3.2A)
CU  A 401 ( 3.2A)
None
CU  A 401 ( 3.2A)
None
 0.35A 5m8nD-5ce9A:
0.0		 5m8nD-5ce9A:
23.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		6 HIS A 215
HIS A 377
ASN A 378
HIS A 381
LEU A 382
SER A 394
 ZN  A 512 ( 3.3A)
ZN  A 511 ( 3.2A)
0TR  A 513 ( 4.4A)
ZN  A 511 ( 3.3A)
None
0TR  A 513 (-3.2A)
 0.30A 5m8nD-5m8tA:
67.2		 5m8nD-5m8tA:
99.33
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.
5vve PHOSPHOGLYCERATE
MUTASE

(Naegleria
fowleri) 		PF00300
(His_Phos_1) 		5 HIS A  10
HIS A 183
LEU A 187
THR A  56
SER A  57
 GOL  A 300 (-4.2A)
GOL  A 300 (-4.4A)
None
None
None
 1.28A 5m8nD-5vveA:
undetectable		 5m8nD-5vveA:
19.02