SIMILAR PATTERNS OF AMINO ACIDS FOR 2VD0_B_D27B1200

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.
1pd2 HEMATOPOIETIC
PROSTAGLANDIN D
SYNTHASE

(Rattus
norvegicus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		10 MET 1  11
GLY 1  13
ARG 1  14
MET 1  99
TRP 1 104
ALA 1 105
TYR 1 152
CYH 1 156
THR 1 159
LEU 1 199
 None
None
GSH  1 301 (-3.4A)
None
None
None
None
None
None
None
 0.52A 2vd0B-1pd21:
32.8		 2vd0B-1pd21:
81.41
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.
1q2e EXOCELLOBIOHYDROLASE
I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		5 GLY A  75
TRP A  40
ALA A  43
TYR A  82
LEU A   6
 None
 1.35A 2vd0B-1q2eA:
undetectable		 2vd0B-1q2eA:
16.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v40 GLUTATHIONE-REQUIRIN
G PROSTAGLANDIN D
SYNTHASE

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		10 MET A  11
GLY A  13
ARG A  14
MET A  99
TRP A 104
ALA A 105
TYR A 152
CYH A 156
THR A 159
LEU A 199
 O16  A3201 ( 3.9A)
O16  A3201 ( 3.7A)
O16  A3201 ( 3.8A)
O16  A3201 (-4.7A)
O16  A3201 (-4.0A)
O16  A3201 (-3.0A)
O16  A3201 (-4.9A)
O16  A3201 (-3.6A)
O16  A3201 ( 4.8A)
O16  A3201 (-3.8A)
 0.65A 2vd0B-1v40A:
34.3		 2vd0B-1v40A:
99.49
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.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		5 MET A 401
GLY A 400
ARG A 176
ALA A 169
LEU A 398
 None
 1.38A 2vd0B-1z3zA:
0.0		 2vd0B-1z3zA:
18.71
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.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 GLY A 319
ALA A  78
TYR A 295
THR A 327
LEU A 317
 None
 1.33A 2vd0B-2p2mA:
0.0		 2vd0B-2p2mA:
16.02
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.
2xua 3-OXOADIPATE
ENOL-LACTONASE

(Paraburkholderia
xenovorans) 		PF12146
(Hydrolase_4) 		5 GLY A 102
ALA A 111
CYH A 123
THR A 125
LEU A 104
 None
 1.40A 2vd0B-2xuaA:
0.0		 2vd0B-2xuaA:
22.85
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.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 MET A 161
ALA A 588
TYR A 504
THR A 458
LEU A 567
 None
 1.17A 2vd0B-3b9eA:
0.0		 2vd0B-3b9eA:
16.61
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.
3g1w SUGAR ABC
TRANSPORTER

(Bacillus
halodurans) 		PF13407
(Peripla_BP_4) 		5 GLY A 144
ALA A 139
TYR A  56
CYH A  60
LEU A 143
 None
 1.37A 2vd0B-3g1wA:
1.3		 2vd0B-3g1wA:
19.87
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		5 MET A 196
GLY A 197
ARG A 194
ALA A 177
LEU A 164
 None
 1.34A 2vd0B-3kd6A:
0.0		 2vd0B-3kd6A:
21.15
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.
3t9p MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 MET A 114
GLY A  49
ARG A  40
ALA A  26
LEU A 111
 None
 1.21A 2vd0B-3t9pA:
undetectable		 2vd0B-3t9pA:
20.63
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		5 GLY C 131
ARG C 222
ALA C 225
THR C 106
LEU C 129
 None
 1.38A 2vd0B-4ci0C:
undetectable		 2vd0B-4ci0C:
21.05
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.
4q05 ESTERASE E25

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 184
ALA A 287
TYR A 149
THR A 192
LEU A 212
 None
 1.33A 2vd0B-4q05A:
undetectable		 2vd0B-4q05A:
20.33
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.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		5 ALA A 123
TYR A 223
CYH A  83
THR A  11
LEU A   9
 None
None
NAD  A 300 (-4.9A)
None
None
 1.43A 2vd0B-4xgnA:
0.6		 2vd0B-4xgnA:
19.49
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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ALA A 347
TYR A 272
CYH A 145
THR A 144
LEU A 140
 None
 1.36A 2vd0B-5k8fA:
undetectable		 2vd0B-5k8fA:
14.55
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.
6ayv FRUCTOSE-1,6-BISPHOS
PHATASE CLASS 2

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A 275
MET A  12
TYR A 278
CYH A 283
THR A 285
 GOL  A 411 ( 4.0A)
None
None
None
None
 1.47A 2vd0B-6ayvA:
undetectable		 2vd0B-6ayvA:
undetectable