SIMILAR PATTERNS OF AMINO ACIDS FOR 2KQE_A_ADNA1002_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.
1k4j ACYL-HOMOSERINELACTO
NE SYNTHASE ESAI

(Pantoea
stewartii) 		PF00765
(Autoind_synth) 		4 TYR A  54
SER A   8
TYR A   9
ARG A  68
 None
 1.41A 2kqeA-1k4jA:
0.0		 2kqeA-1k4jA:
17.60
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.
2amy PHOSPHOMANNOMUTASE 2

(Homo sapiens) 		PF03332
(PMM) 		4 TYR A 102
SER A 105
CYH A 103
TYR A 106
 GLY  A 402 (-3.2A)
GLY  A 402 (-4.3A)
None
EDO  A 300 (-4.0A)
 1.37A 2kqeA-2amyA:
0.0		 2kqeA-2amyA:
16.94
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.
2fe8 REPLICASE
POLYPROTEIN 1AB

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		4 TYR A 274
SER A 115
CYH A 112
TYR A 113
 None
 1.47A 2kqeA-2fe8A:
0.0		 2kqeA-2fe8A:
17.39
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.
2o8s AGR_C_984P

(Agrobacterium
fabrum) 		PF06748
(DUF1217) 		4 TYR A  58
SER A  60
TYR A  61
ARG A  62
 None
 1.35A 2kqeA-2o8sA:
0.0		 2kqeA-2o8sA:
13.25
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.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		4 TYR A 149
SER A 146
TYR A 145
ARG A 148
 None
 1.36A 2kqeA-2ocpA:
0.0		 2kqeA-2ocpA:
17.94
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.
3dra PROTEIN
FARNESYLTRANSFERASE/
GERANYLGERANYLTRANSF
ERASE TYPE-1 SUBUNIT
ALPHA

(Candida
albicans) 		PF01239
(PPTA) 		4 TYR A   8
SER A   4
TYR A   6
ARG A  51
 None
 1.43A 2kqeA-3draA:
0.0		 2kqeA-3draA:
15.27
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.
3kkz UNCHARACTERIZED
PROTEIN Q5LES9

(Bacteroides
fragilis) 		PF13649
(Methyltransf_25) 		4 TYR A 249
SER A 152
CYH A 151
TYR A 247
 None
 1.44A 2kqeA-3kkzA:
0.0		 2kqeA-3kkzA:
14.94
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.
3qgu LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydomonas
reinhardtii) 		PF00155
(Aminotran_1_2) 		4 TYR A 407
SER A 164
TYR A 165
ARG A 416
 None
 1.43A 2kqeA-3qguA:
0.0		 2kqeA-3qguA:
10.80
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		4 SER A  17
CYH A  16
TYR A  25
ARG A  12
 None
 1.43A 2kqeA-4bz7A:
undetectable		 2kqeA-4bz7A:
10.90
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.
4cc9 PROTEIN VPX

(Simian
immunodeficiency
virus) 		PF00522
(VPR) 		4 TYR B  66
SER B  65
TYR B  69
ARG B  70
 None
 0.78A 2kqeA-4cc9B:
undetectable		 2kqeA-4cc9B:
18.85
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.
4il3 STE24P

(Saccharomyces
mikatae) 		PF01435
(Peptidase_M48)
PF16491
(Peptidase_M48_N) 		4 TYR A  32
SER A  31
TYR A  35
ARG A  36
 None
 0.79A 2kqeA-4il3A:
undetectable		 2kqeA-4il3A:
14.29
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.
4xt1 G-PROTEIN COUPLED
RECEPTOR HOMOLOG
US28

(Cytomegalovirus) 		PF00001
(7tm_1) 		4 TYR A 206
SER A 205
TYR A 209
ARG A 210
 UNL  A 409 ( 4.7A)
OLC  A 406 ( 4.0A)
OLC  A 407 ( 3.7A)
OLC  A 407 (-4.8A)
 0.92A 2kqeA-4xt1A:
undetectable		 2kqeA-4xt1A:
12.46
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.
5h5x PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		4 TYR A 138
SER A 135
TYR A 134
ARG A 137
 None
 1.32A 2kqeA-5h5xA:
undetectable		 2kqeA-5h5xA:
16.45
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.
5k5z PARA

(Sulfolobus sp.
NOB8H2) 		PF13614
(AAA_31) 		4 TYR A 159
SER A 157
TYR A 197
ARG A 199
 None
 1.34A 2kqeA-5k5zA:
undetectable		 2kqeA-5k5zA:
13.69
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.
5njf METALLOPROTEASE PMBA

(Escherichia
coli) 		PF01523
(PmbA_TldD) 		4 TYR B 205
SER B 190
TYR B 207
ARG B 229
 None
 1.48A 2kqeA-5njfB:
undetectable		 2kqeA-5njfB:
12.92
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.
5t4z ANTIBODY DH501 FAB
HEAVY CHAIN
ANTIBODY DH501 FAB
LIGHT CHAIN

(Macaca mulatta) 		no annotation 4 TYR H 100
SER L  32
CYH L  31
TYR L  91
 None
 1.38A 2kqeA-5t4zH:
undetectable		 2kqeA-5t4zH:
18.89
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.
5wb1 ENVELOPE PROTEIN
US28, NANOBODY 7
FUSION PROTEIN

(Human
betaherpesvirus
5;
Lama glama) 		no annotation 4 TYR A 206
SER A 205
TYR A 209
ARG A 210
 None
 0.90A 2kqeA-5wb1A:
undetectable		 2kqeA-5wb1A:
17.00
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.
6apg DISD PROTEIN

(Sorangium
cellulosum) 		no annotation 4 TYR A  69
SER A  68
TYR A   4
ARG A  73
 None
SO4  A 303 ( 4.3A)
None
None
 1.47A 2kqeA-6apgA:
undetectable		 2kqeA-6apgA:
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.
6eiw MINOR CAPSID PROTEIN
MICP

(Sacbrood virus) 		no annotation 4 TYR D  18
SER D  12
TYR D  22
ARG D  25
 None
 1.07A 2kqeA-6eiwD:
undetectable		 2kqeA-6eiwD:
undetectable
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 4 SER A 599
CYH A 615
TYR A 614
ARG A 616
 None
 1.44A 2kqeA-6fikA:
undetectable		 2kqeA-6fikA:
17.02