SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZB8_A_IMNA800_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.
1qgt PROTEIN (HBV CAPSID
PROTEIN)

(Hepatitis B
virus) 		no annotation 5 TYR C   6
PHE C  24
LEU C 116
VAL C 115
LEU C 119
 None
 1.45A 2zb8A-1qgtC:
undetectable		 2zb8A-1qgtC:
16.15
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.
2gzo UPF0301 PROTEIN
SO3346

(Shewanella
oneidensis) 		PF02622
(DUF179) 		5 THR A  23
PHE A 158
LEU A  73
VAL A 126
LEU A 125
 None
 1.47A 2zb8A-2gzoA:
0.0		 2zb8A-2gzoA:
19.67
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.
2ou2 HISTONE
ACETYLTRANSFERASE
HTATIP

(Homo sapiens) 		PF01853
(MOZ_SAS) 		5 TYR A 302
THR A 281
PHE A 271
LEU A 215
LEU A 267
 ALY  A 275 ( 4.8A)
None
None
None
None
 1.50A 2zb8A-2ou2A:
0.0		 2zb8A-2ou2A:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zb3 PROSTAGLANDIN
REDUCTASE 2

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A  51
THR A  60
TYR A 259
VAL A 289
LEU A 290
 None
None
NDP  A 900 (-4.5A)
NDP  A 900 (-3.7A)
None
 0.94A 2zb8A-2zb3A:
55.2		 2zb8A-2zb3A:
84.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zb3 PROSTAGLANDIN
REDUCTASE 2

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A  51
TYR A 100
TYR A 259
VAL A 289
LEU A 290
 None
None
NDP  A 900 (-4.5A)
NDP  A 900 (-3.7A)
None
 0.45A 2zb8A-2zb3A:
55.2		 2zb8A-2zb3A:
84.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zb4 PROSTAGLANDIN
REDUCTASE 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		8 TYR A  51
CYH A  54
PHE A  99
TYR A 100
TYR A 259
LEU A 288
VAL A 289
LEU A 290
 5OP  A 600 (-3.4A)
None
5OP  A 600 (-4.5A)
5OP  A 600 (-4.9A)
NAP  A 500 (-4.4A)
NAP  A 500 (-4.7A)
NAP  A 500 ( 3.6A)
5OP  A 600 (-3.7A)
 0.59A 2zb8A-2zb4A:
56.8		 2zb8A-2zb4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zb4 PROSTAGLANDIN
REDUCTASE 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		6 TYR A  51
CYH A  54
THR A  60
TYR A 259
LEU A 288
VAL A 289
 5OP  A 600 (-3.4A)
None
None
NAP  A 500 (-4.4A)
NAP  A 500 (-4.7A)
NAP  A 500 ( 3.6A)
 1.01A 2zb8A-2zb4A:
56.8		 2zb8A-2zb4A:
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.
3edy TRIPEPTIDYL-PEPTIDAS
E 1

(Homo sapiens) 		PF09286
(Pro-kuma_activ) 		5 PHE A 378
TYR A 336
LEU A 354
VAL A 385
LEU A 344
 None
 1.43A 2zb8A-3edyA:
0.0		 2zb8A-3edyA:
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.
3fvr ACETYL XYLAN
ESTERASE

(Bacillus
pumilus) 		PF05448
(AXE1) 		5 TYR A 150
THR A 244
TYR A 222
LEU A 253
LEU A 250
 None
 1.28A 2zb8A-3fvrA:
2.4		 2zb8A-3fvrA:
24.13
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.
3j2v PREC/CORE PROTEIN

(Hepatitis B
virus) 		no annotation 5 TYR C   6
PHE C  24
LEU C 116
VAL C 115
LEU C 119
 None
 1.36A 2zb8A-3j2vC:
undetectable		 2zb8A-3j2vC:
15.98
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.
3l60 BRANCHED-CHAIN
ALPHA-KETO ACID
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00198
(2-oxoacid_dh) 		5 CYH A 199
THR A 355
PHE A 375
VAL A 311
LEU A 334
 None
 1.47A 2zb8A-3l60A:
0.0		 2zb8A-3l60A:
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.
3mq3 PYRUVATE
DEHYDROGENASE
PHOSPHATASE 1

(Bos taurus) 		PF00481
(PP2C) 		5 CYH A  61
THR A  64
PHE A 454
VAL A 215
LEU A 213
 None
 1.40A 2zb8A-3mq3A:
0.0		 2zb8A-3mq3A:
21.98
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.
3ukm POTASSIUM CHANNEL
SUBFAMILY K MEMBER 1

(Homo sapiens) 		PF07885
(Ion_trans_2) 		5 THR A 117
PHE A 195
TYR A 252
LEU A 261
VAL A 262
 K  A   4 ( 3.9A)
None
None
None
None
 1.44A 2zb8A-3ukmA:
undetectable		 2zb8A-3ukmA:
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 THR A1175
PHE A1287
TYR A1222
VAL A1134
LEU A1132
 None
None
None
CYG  A1135 ( 2.9A)
None
 1.41A 2zb8A-3ummA:
0.9		 2zb8A-3ummA:
14.76
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 THR A 212
PHE A 247
LEU A 280
VAL A 279
LEU A 284
 None
 1.09A 2zb8A-3uszA:
3.1		 2zb8A-3uszA:
18.27
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.
4fbz DELTARHODOPSIN

(Haloterrigena
thermotolerans) 		PF01036
(Bac_rhodopsin) 		5 THR A  88
PHE A 170
LEU A 147
VAL A 150
LEU A 151
 RET  A 301 ( 4.6A)
None
None
None
None
 1.44A 2zb8A-4fbzA:
undetectable		 2zb8A-4fbzA:
20.00
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.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 THR A 116
PHE A 379
TYR A 380
LEU A  48
VAL A  40
 None
 1.34A 2zb8A-4lihA:
0.0		 2zb8A-4lihA:
22.29
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.
4nax GLUTATHIONE
S-TRANSFERASE,
N-TERMINAL DOMAIN
PROTEIN

(Pseudomonas
putida) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 THR A 115
TYR A 178
LEU A 168
VAL A 210
LEU A 164
 None
 1.39A 2zb8A-4naxA:
undetectable		 2zb8A-4naxA:
21.98
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.
4nhz PUTATIVE GLUTATHIONE
S-TRANSFERASE ENZYME
WITH
THIOREDOXIN-LIKE
DOMAIN

(Bradyrhizobium
sp. BTAi1) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 THR A 115
TYR A 179
LEU A 168
VAL A 211
LEU A 164
 None
 1.41A 2zb8A-4nhzA:
undetectable		 2zb8A-4nhzA:
21.70
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 THR B  78
PHE B 172
LEU B  50
VAL B  49
LEU B  53
 None
 1.35A 2zb8A-5cvoB:
undetectable		 2zb8A-5cvoB:
22.25