SIMILAR PATTERNS OF AMINO ACIDS FOR 2BFM_B_TOPB1290_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		6 PHE A 113
ASP A 181
LEU A 188
TYR A 191
TYR A 194
LEU A 226
 MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 (-4.8A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
 0.23A 2bfmB-1p33A:
43.8
2bfmC-1p33A:
43.3		 2bfmB-1p33A:
80.62
2bfmC-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		6 PHE A 113
ASP A 181
TYR A 191
TYR A 194
LEU A 226
LEU A 229
 MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.8A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
 0.69A 2bfmB-1p33A:
43.8
2bfmC-1p33A:
43.3		 2bfmB-1p33A:
80.62
2bfmC-1p33A:
80.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		5 PHE A 113
LEU A 188
TYR A 191
TYR A 194
LEU A 226
 MTX  A 351 (-3.5A)
MTX  A 351 (-4.5A)
MTX  A 351 (-4.8A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
 0.95A 2bfmB-1p33A:
43.8
2bfmC-1p33A:
43.3		 2bfmB-1p33A:
80.62
2bfmC-1p33A:
80.62
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.
1uch UBIQUITIN C-TERMINAL
HYDROLASE UCH-L3

(Homo sapiens) 		PF01088
(Peptidase_C12) 		5 PHE A 122
LEU A 138
TYR A 137
LEU A  23
ARG A   5
 None
 1.11A 2bfmB-1uchA:
0.0
2bfmC-1uchA:
0.0		 2bfmB-1uchA:
22.04
2bfmC-1uchA:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		8 PHE A 113
ASP A 181
LEU A 188
TYR A 191
TYR A 194
LEU A 226
LEU A 229
HIS A 241
 FE1  A1301 (-3.4A)
NAP  A1300 ( 3.6A)
FE1  A1301 (-4.5A)
None
FE1  A1301 ( 4.5A)
FE1  A1301 ( 4.9A)
None
FE1  A1301 (-4.2A)
 0.42A 2bfmB-2qhxA:
45.7
2bfmC-2qhxA:
44.7		 2bfmB-2qhxA:
87.80
2bfmC-2qhxA:
87.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		6 PHE A 113
LEU A 188
TYR A 191
TYR A 194
LEU A 226
HIS A 241
 FE1  A1301 (-3.4A)
FE1  A1301 (-4.5A)
None
FE1  A1301 ( 4.5A)
FE1  A1301 ( 4.9A)
FE1  A1301 (-4.2A)
 1.34A 2bfmB-2qhxA:
45.7
2bfmC-2qhxA:
44.7		 2bfmB-2qhxA:
87.80
2bfmC-2qhxA:
87.80
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		5 PHE A 405
TYR A 367
TYR A 355
LEU A 387
LEU A 446
 None
 1.32A 2bfmB-3k8kA:
1.8
2bfmC-3k8kA:
0.2		 2bfmB-3k8kA:
18.14
2bfmC-3k8kA:
18.14
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.
4psw HISTONE
ACETYLTRANSFERASE
TYPE B CATALYTIC
SUBUNIT
HISTONE
ACETYLTRANSFERASE
TYPE B SUBUNIT 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF00583
(Acetyltransf_1)
PF10394
(Hat1_N)
PF12265
(CAF1C_H4-bd) 		5 PHE A 205
LEU B 288
TYR A 199
LEU B 267
LEU B 281
 None
 1.31A 2bfmB-4pswA:
0.0
2bfmC-4pswA:
0.0		 2bfmB-4pswA:
20.12
2bfmC-4pswA:
20.12
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.
4r7p UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Homo sapiens) 		PF01704
(UDPGP) 		5 PHE A 446
LEU A 432
TYR A 442
LEU A 455
LEU A 472
 None
 1.16A 2bfmB-4r7pA:
1.7
2bfmC-4r7pA:
1.6		 2bfmB-4r7pA:
19.92
2bfmC-4r7pA:
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.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis) 		PF11477
(PM0188) 		5 PHE A 172
LEU A 191
TYR A 170
LEU A 184
LEU A 122
 None
 1.28A 2bfmB-4v39A:
5.0
2bfmC-4v39A:
5.7		 2bfmB-4v39A:
19.39
2bfmC-4v39A:
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 5 PHE A 248
LEU A 254
LEU A 138
LEU A 281
ARG A 137
 None
 1.38A 2bfmB-6c66A:
0.0
2bfmC-6c66A:
0.0		 2bfmB-6c66A:
14.48
2bfmC-6c66A:
14.48