SIMILAR PATTERNS OF AMINO ACIDS FOR 4QVV_N_BO2N201_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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 SER A 127
THR A 108
THR A 107
THR A 106
ARG A 158
 None
None
None
None
POP  A1155 (-3.1A)
 1.36A 4qvvH-1ocmA:
0.0
4qvvN-1ocmA:
undetectable		 4qvvH-1ocmA:
19.76
4qvvN-1ocmA:
18.56
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.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 SER A 100
THR A 106
THR A  39
ALA A 112
THR A 258
 None
 1.38A 4qvvH-2anpA:
undetectable
4qvvN-2anpA:
0.0		 4qvvH-2anpA:
21.69
4qvvN-2anpA:
22.60
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.
2fon PEROXISOMAL ACYL-COA
OXIDASE 1A

(Solanum
lycopersicum) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 HIS A  30
SER A  28
THR A  35
ARG A 345
ALA A  26
 None
 1.46A 4qvvH-2fonA:
0.0
4qvvN-2fonA:
0.0		 4qvvH-2fonA:
16.42
4qvvN-2fonA:
14.20
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.
2lhs CBP21

(Serratia
marcescens) 		PF03067
(LPMO_10) 		5 HIS A  47
SER A  50
THR A  97
THR A 108
ARG A  10
 None
 1.35A 4qvvH-2lhsA:
undetectable
4qvvN-2lhsA:
undetectable		 4qvvH-2lhsA:
19.41
4qvvN-2lhsA:
20.57
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.
2lhs CBP21

(Serratia
marcescens) 		PF03067
(LPMO_10) 		5 SER A  50
THR A  97
THR A 108
ARG A  10
ALA A  49
 None
 1.45A 4qvvH-2lhsA:
undetectable
4qvvN-2lhsA:
undetectable		 4qvvH-2lhsA:
19.41
4qvvN-2lhsA:
20.57
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.
3b5i S-ADENOSYL-L-METHION
INE:SALICYLIC ACID
CARBOXYL
METHYLTRANSFERASE-LI
KE PROTEIN

(Arabidopsis
thaliana) 		PF03492
(Methyltransf_7) 		5 SER A 175
THR A 192
THR A 193
THR A 194
ARG A 180
 None
 1.49A 4qvvH-3b5iA:
0.3
4qvvN-3b5iA:
undetectable		 4qvvH-3b5iA:
20.74
4qvvN-3b5iA:
18.98
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 SER A 214
THR A 231
THR A 233
THR A 234
THR A 235
 None
None
FMN  A 301 (-4.4A)
FMN  A 301 (-4.5A)
FMN  A 301 (-3.6A)
 1.14A 4qvvH-3gh8A:
undetectable
4qvvN-3gh8A:
0.0		 4qvvH-3gh8A:
20.54
4qvvN-3gh8A:
19.44
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.
3l9x GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFC,
LINKER, ANCILLARY
PROTEIN KEFF

(Escherichia
coli) 		PF02254
(TrkA_N)
PF02525
(Flavodoxin_2) 		5 HIS A1008
SER A1014
THR A1105
THR A1106
ALA A1016
 FMN  A2400 (-4.1A)
FMN  A2400 (-2.7A)
FMN  A2400 (-3.6A)
FMN  A2400 (-3.9A)
FMN  A2400 (-3.6A)
 1.46A 4qvvH-3l9xA:
0.0
4qvvN-3l9xA:
undetectable		 4qvvH-3l9xA:
19.40
4qvvN-3l9xA:
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 4qvvH-3la4A:
0.0
4qvvN-3la4A:
0.0		 4qvvH-3la4A:
15.16
4qvvN-3la4A:
14.36
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.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 SER A 149
THR A  98
THR A  99
ALA A 150
THR A 154
 None
 1.42A 4qvvH-3m1aA:
undetectable
4qvvN-3m1aA:
undetectable		 4qvvH-3m1aA:
22.82
4qvvN-3m1aA:
22.46
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 8 THR N   1
THR N  20
THR N  21
THR N  22
LYS N  33
ARG N  45
ALA N  49
THR N  52
 None
 0.41A 4qvvH-3mg6N:
27.6
4qvvN-3mg6N:
38.7		 4qvvH-3mg6N:
29.49
4qvvN-3mg6N:
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 4qvvH-3qgkC:
undetectable
4qvvN-3qgkC:
undetectable		 4qvvH-3qgkC:
18.73
4qvvN-3qgkC:
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.
3rfw CELL-BINDING FACTOR
2

(Campylobacter
jejuni) 		PF13616
(Rotamase_3) 		5 THR A 209
THR A 211
THR A 212
THR A 213
ALA A 201
 None
 1.36A 4qvvH-3rfwA:
undetectable
4qvvN-3rfwA:
undetectable		 4qvvH-3rfwA:
23.13
4qvvN-3rfwA:
23.36
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.
3tjr SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 SER A 230
THR A 145
THR A 238
ALA A 231
THR A 195
 None
UNL  A 281 ( 3.8A)
None
None
UNL  A 281 ( 2.6A)
 1.28A 4qvvH-3tjrA:
undetectable
4qvvN-3tjrA:
undetectable		 4qvvH-3tjrA:
21.59
4qvvN-3tjrA:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
THR H  21
LYS H  33
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.5A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.73A 4qvvH-3unfH:
33.8
4qvvN-3unfH:
30.8		 4qvvH-3unfH:
46.78
4qvvN-3unfH:
27.11
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 4qvvH-4g7eB:
undetectable
4qvvN-4g7eB:
undetectable		 4qvvH-4g7eB:
14.55
4qvvN-4g7eB:
13.00
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.
4hbc ANTIGEN BINDING
FRAGMENT,
IMMUNOGLOBULIN IGG -
HEAVY CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H   6
THR H  74
THR H  73
ALA H  20
THR H  18
 None
 1.44A 4qvvH-4hbcH:
undetectable
4qvvN-4hbcH:
undetectable		 4qvvH-4hbcH:
21.43
4qvvN-4hbcH:
20.70
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.
4km3 METHIONINE
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF00557
(Peptidase_M24) 		5 SER A  74
THR A 248
THR A 244
ARG A  85
ALA A  82
 None
 1.43A 4qvvH-4km3A:
undetectable
4qvvN-4km3A:
0.0		 4qvvH-4km3A:
21.85
4qvvN-4km3A:
20.07
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.
4tx1 ESTERASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		5 HIS A  23
THR A 140
THR A 184
THR A 183
ALA A  17
 None
 1.18A 4qvvH-4tx1A:
undetectable
4qvvN-4tx1A:
undetectable		 4qvvH-4tx1A:
20.33
4qvvN-4tx1A:
20.50
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 THR A 214
THR A 216
THR A 217
ARG A 501
THR A 502
 None
 1.14A 4qvvH-5az4A:
undetectable
4qvvN-5az4A:
undetectable		 4qvvH-5az4A:
16.17
4qvvN-5az4A:
14.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
THR H  21
LYS H  33
ALA H  49
THR H  52
 None
 0.36A 4qvvH-5fg9H:
36.7
4qvvN-5fg9H:
27.9		 4qvvH-5fg9H:
98.31
4qvvN-5fg9H:
29.41
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.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 SER A 713
THR A 345
THR A 341
ALA A 698
THR A 700
 None
 1.46A 4qvvH-5mpmA:
undetectable
4qvvN-5mpmA:
undetectable		 4qvvH-5mpmA:
17.26
4qvvN-5mpmA:
17.19
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 SER A 319
THR A 286
THR A 287
THR A 288
ALA A 317
 None
EDO  A 818 (-4.2A)
None
EDO  A 818 (-4.1A)
None
 0.98A 4qvvH-5v1wA:
undetectable
4qvvN-5v1wA:
undetectable		 4qvvH-5v1wA:
15.01
4qvvN-5v1wA:
14.20
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.
5vlp FAB7G7 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 HIS H 210
SER H 160
THR H 127
ALA H   9
THR H 118
 None
 1.43A 4qvvH-5vlpH:
undetectable
4qvvN-5vlpH:
undetectable		 4qvvH-5vlpH:
22.27
4qvvN-5vlpH:
22.27
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.
5vmt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 147
THR A 152
THR A 153
ALA A 121
THR A 101
 None
None
None
NAD  A 401 (-3.2A)
None
 1.50A 4qvvH-5vmtA:
undetectable
4qvvN-5vmtA:
undetectable		 4qvvH-5vmtA:
21.47
4qvvN-5vmtA:
20.24
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 SER A  26
THR A  90
THR A 105
ALA A 108
THR A  60
 None
 1.19A 4qvvH-5xqoA:
undetectable
4qvvN-5xqoA:
undetectable		 4qvvH-5xqoA:
16.52
4qvvN-5xqoA:
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.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 5 HIS A 273
SER A 228
THR A 244
ALA A 241
THR A 239
 None
 1.49A 4qvvH-5ydlA:
0.0
4qvvN-5ydlA:
undetectable		 4qvvH-5ydlA:
15.09
4qvvN-5ydlA:
14.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10
PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 5 HIS B 114
SER B 118
THR A   1
LYS A  33
ALA A  49
 None
 0.57A 4qvvH-6avoB:
22.0
4qvvN-6avoB:
21.3		 4qvvH-6avoB:
43.40
4qvvN-6avoB:
21.20
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 SER A 238
THR A 271
THR A 272
ARG A 105
ALA A 266
 None
 1.43A 4qvvH-6cboA:
undetectable
4qvvN-6cboA:
undetectable		 4qvvH-6cboA:
13.14
4qvvN-6cboA:
17.71
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 THR L 404
THR L 275
THR L 276
ALA L 282
THR L 412
 None
 1.20A 4qvvH-6g2jL:
undetectable
4qvvN-6g2jL:
undetectable		 4qvvH-6g2jL:
17.05
4qvvN-6g2jL:
17.02