SIMILAR PATTERNS OF AMINO ACIDS FOR 3KP5_A_KANA2001

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.
1b6r PROTEIN
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF02222
(ATP-grasp) 		5 VAL A 281
THR A 191
GLN A 185
GLU A 342
SER A 345
 None
 1.49A 3kp5A-1b6rA:
undetectable		 3kp5A-1b6rA:
20.78
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.
2fej CELLULAR TUMOR
ANTIGEN P53

(Homo sapiens) 		PF00870
(P53) 		5 ALA A 161
SER A 215
HIS A 214
GLN A 192
ARG A 213
 None
 1.44A 3kp5A-2fejA:
undetectable		 3kp5A-2fejA:
18.05
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.
2pig PUTATIVE TRANSFERASE

(Salmonella
enterica) 		no annotation 5 ASN A 201
GLU A 137
SER A 136
HIS A 162
ASN A 134
 None
 1.43A 3kp5A-2pigA:
undetectable		 3kp5A-2pigA:
18.43
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.
2pig PUTATIVE TRANSFERASE

(Salmonella
enterica) 		no annotation 5 ASN A 201
GLU A 137
SER A 136
HIS A 162
ASN A 161
 None
 1.38A 3kp5A-2pigA:
undetectable		 3kp5A-2pigA:
18.43
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.
2pig PUTATIVE TRANSFERASE

(Salmonella
enterica) 		no annotation 5 VAL A 202
GLU A 137
SER A 136
HIS A 162
ASN A 161
 None
 1.49A 3kp5A-2pigA:
undetectable		 3kp5A-2pigA:
18.43
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.
2r44 UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF07726
(AAA_3) 		5 VAL A 271
ASN A 267
ALA A 260
HIS A 299
ASN A 298
 None
None
None
None
PG4  A 332 (-4.1A)
 1.29A 3kp5A-2r44A:
0.0		 3kp5A-2r44A:
20.30
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 ALA A 732
GLU A 733
SER A 735
ASN A 738
ARG A 606
 None
 1.41A 3kp5A-2vz9A:
undetectable		 3kp5A-2vz9A:
4.86
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.
3fj7 MAJOR ANTIGENIC
PEPTIDE PEB3

(Campylobacter
jejuni) 		PF13531
(SBP_bac_11) 		5 VAL A 128
ALA A 133
SER A 136
ASN A 170
GLN A  76
 None
None
None
PEQ  A 301 (-4.8A)
None
 1.36A 3kp5A-3fj7A:
undetectable		 3kp5A-3fj7A:
22.07
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 VAL A 128
ALA A 118
GLU A  73
ASN A 113
ARG A 169
 VAL  A 128 ( 0.6A)
ALA  A 118 ( 0.0A)
GLU  A  73 ( 0.5A)
ASN  A 113 ( 0.6A)
ARG  A 169 ( 0.6A)
 1.41A 3kp5A-3gnrA:
undetectable		 3kp5A-3gnrA:
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		5 VAL A 565
THR A 370
GLU A 583
SER A 600
ARG A 133
 None
 1.43A 3kp5A-3nzqA:
undetectable		 3kp5A-3nzqA:
12.29
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.
3o3o ALPHA-SUBUNIT
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		5 VAL A 317
ASN A 143
THR A 312
ALA A 307
GLN A 150
 None
 1.47A 3kp5A-3o3oA:
undetectable		 3kp5A-3o3oA:
16.67
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A 365
ALA A 475
GLU A 309
SER A 473
ASN A  14
 None
 1.38A 3kp5A-4cw4A:
undetectable		 3kp5A-4cw4A:
13.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4eju TRANSCRIPTIONAL
REGULATOR TCAR

(Staphylococcus
epidermidis) 		PF12802
(MarR_2) 		10 ASN A  20
THR A  23
GLN A  31
ALA A  38
GLU A  39
SER A  41
HIS A  42
ASN A  45
GLN A  61
ARG A 110
 None
 0.62A 3kp5A-4ejuA:
19.3		 3kp5A-4ejuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4eju TRANSCRIPTIONAL
REGULATOR TCAR

(Staphylococcus
epidermidis) 		PF12802
(MarR_2) 		10 VAL A  19
ASN A  20
THR A  23
GLN A  31
ALA A  38
GLU A  39
SER A  41
HIS A  42
ASN A  45
ARG A 110
 None
 0.47A 3kp5A-4ejuA:
19.3		 3kp5A-4ejuA:
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.
4es9 EPF

(Streptococcus
pyogenes) 		no annotation 5 VAL A 251
ALA A 191
GLU A 187
SER A 192
ARG A 216
 None
 1.39A 3kp5A-4es9A:
undetectable		 3kp5A-4es9A:
20.60
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.
4fs3 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH] FABI

(Staphylococcus
aureus) 		PF13561
(adh_short_C2) 		5 VAL A  67
GLN A 118
ALA A 163
SER A 166
ASN A 170
 0WD  A 301 (-3.6A)
None
None
None
None
 1.09A 3kp5A-4fs3A:
undetectable		 3kp5A-4fs3A:
20.83
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.
4ft2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Zea mays) 		PF00145
(DNA_methylase)
PF00385
(Chromo)
PF01426
(BAH) 		5 VAL A 855
GLN A 848
ALA A 380
SER A 383
ASN A 387
 None
None
SAH  A1000 ( 4.9A)
None
None
 1.43A 3kp5A-4ft2A:
undetectable		 3kp5A-4ft2A:
11.70
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.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 VAL A 534
THR A 526
ALA A 411
GLU A 414
SER A 412
 None
 1.45A 3kp5A-4jncA:
undetectable		 3kp5A-4jncA:
19.17
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.
4jtv HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 ASN A 326
THR A  31
ALA A 321
SER A  35
HIS A  34
 None
 1.40A 3kp5A-4jtvA:
undetectable		 3kp5A-4jtvA:
18.73
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.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167) 		PF00232
(Glyco_hydro_1) 		5 VAL A  27
THR A 381
GLN A  33
GLU A  88
HIS A  64
 None
 1.44A 3kp5A-4r27A:
undetectable		 3kp5A-4r27A:
14.75
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.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		5 VAL A1532
GLN A1560
ALA A1567
GLU A1570
SER A1568
 None
 1.25A 3kp5A-5a42A:
undetectable		 3kp5A-5a42A:
7.33
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.
5iai SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF01547
(SBP_bac_1) 		5 VAL A 279
THR A 276
ASN A 199
GLN A 399
ARG A 262
 None
 1.44A 3kp5A-5iaiA:
undetectable		 3kp5A-5iaiA:
15.88
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.
5k3w CPUTA1

(Curtobacterium
pusillum) 		PF01063
(Aminotran_4) 		5 THR A   5
ALA A 102
SER A 106
ASN A 108
ARG A 107
 None
 1.47A 3kp5A-5k3wA:
undetectable		 3kp5A-5k3wA:
18.06
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.
5kdr ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
ALPHA

(Staphylococcus
aureus) 		PF03255
(ACCA) 		5 VAL A 188
THR A 152
GLN A 111
ALA A 201
ASN A 177
 None
 1.27A 3kp5A-5kdrA:
undetectable		 3kp5A-5kdrA:
20.72
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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 122
SER A 125
ASN A  80
GLN A 153
ARG A 118
 CAA  A 501 (-3.2A)
None
None
None
None
 1.45A 3kp5A-5lnqA:
undetectable		 3kp5A-5lnqA:
18.10
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.
6cj7 SERPIN-12

(Manduca sexta) 		no annotation 5 ASN A  69
GLN A  40
ALA A  62
GLU A  63
SER A  61
 None
 1.40A 3kp5A-6cj7A:
undetectable		 3kp5A-6cj7A:
20.53