SIMILAR PATTERNS OF AMINO ACIDS FOR 2AK1_H_BEZH401

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.
1agx GLUTAMINASE-ASPARAGI
NASE

(Acinetobacter
glutaminasificans) 		PF00710
(Asparaginase) 		4 ASN A  22
ALA A 123
ARG A 119
TYR A  26
 None
 1.49A 2ak1H-1agxA:
0.0		 2ak1H-1agxA:
21.39
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.
1t1t KURTOXIN

(Parabuthus
transvaalicus) 		PF00537
(Toxin_3) 		4 ASN A  11
ALA A  63
ARG A  62
TYR A   9
 None
 1.18A 2ak1H-1t1tA:
0.0		 2ak1H-1t1tA:
13.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ajx ANTIBODY 7A1 FAB'

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  32
ALA H  34
ARG H  52
TYR H  97
 None
 0.87A 2ak1H-2ajxH:
32.8		 2ak1H-2ajxH:
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.
2dht 409AA LONG
HYPOTHETICAL
NADP-DEPENDENT
ISOCITRATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		4 ASN A 294
ALA A 292
ARG A 149
TYR A 299
 None
 1.38A 2ak1H-2dhtA:
0.0		 2ak1H-2dhtA:
18.20
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.
2dua PHOSPHONOPYRUVATE
HYDROLASE

(Variovorax sp.
Pal2) 		PF13714
(PEP_mutase) 		4 ASN A 236
ALA A 238
ARG A 240
TYR A 234
 None
 1.33A 2ak1H-2duaA:
0.0		 2ak1H-2duaA:
20.54
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.
2z04 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
ATPASE SUBUNIT

(Aquifex
aeolicus) 		PF02222
(ATP-grasp) 		4 ASN A 273
ALA A 277
ARG A 276
TYR A 190
 None
 1.43A 2ak1H-2z04A:
3.0		 2ak1H-2z04A:
18.80
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.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		4 ASN A 409
ALA A 121
ARG A 123
TYR A 116
 None
 1.33A 2ak1H-3g6lA:
0.0		 2ak1H-3g6lA:
20.20
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.
4a27 SYNAPTIC VESICLE
MEMBRANE PROTEIN
VAT-1 HOMOLOG-LIKE

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 ASN A 232
ALA A 213
ARG A 231
TYR A 235
 None
EDO  A1390 ( 3.9A)
None
None
 1.43A 2ak1H-4a27A:
0.0		 2ak1H-4a27A:
20.40
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		4 ASN A 351
ALA A 349
ARG A 350
TYR A 341
 None
 1.31A 2ak1H-4f0lA:
0.0		 2ak1H-4f0lA:
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.
4nsc CALCIUM UPTAKE
PROTEIN 1,
MITOCHONDRIAL

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13833
(EF-hand_8) 		4 ASN A 116
ALA A 120
ARG A 119
TYR A 334
 None
 1.41A 2ak1H-4nscA:
undetectable		 2ak1H-4nscA:
19.65
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.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ASN A 281
ALA A 296
ARG A 299
TYR A 279
 None
None
None
GOL  A 401 (-3.8A)
 1.45A 2ak1H-4o99A:
undetectable		 2ak1H-4o99A:
19.70
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.
5epo 7-ALPHA-HYDROXYSTERO
ID DEYDROGENASE

(Clostridium
sardiniense) 		PF13561
(adh_short_C2) 		4 ASN A  63
ALA A  37
ARG A  38
TYR A  91
 NAP  A 301 (-3.4A)
None
NAP  A 301 (-3.2A)
NAP  A 301 (-4.9A)
 1.30A 2ak1H-5epoA:
undetectable		 2ak1H-5epoA:
21.93