SIMILAR PATTERNS OF AMINO ACIDS FOR 4A99_D_MIYD391

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.
1lwu FIBRINOGEN BETA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 GLN B 379
MET B 467
ASN B 431
GLY B 462
ASN B 368
 None
 1.38A 4a99D-1lwuB:
undetectable		 4a99D-1lwuB:
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.
1opg OPG2 FAB (HEAVY
CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLN H 117
MET H  34
GLY H 116
GLY H  26
ASN H  77
 None
 1.37A 4a99D-1opgH:
undetectable		 4a99D-1opgH:
18.64
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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 MET A 145
PHE A 147
GLY A 148
SER A 160
ASN A 213
 None
 1.17A 4a99D-1po0A:
0.9		 4a99D-1po0A:
19.37
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.
1qgc PROTEIN
(IMMUNOGLOBULIN
HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLN A 112
MET A  34
GLY A 111
GLY A  26
ASN A  77
 None
 1.28A 4a99D-1qgcA:
undetectable		 4a99D-1qgcA:
19.75
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.
1sjx IMMUNOGLOBULIN VH
DOMAIN

(Lama glama) 		PF07686
(V-set) 		5 GLN A 911
MET A 834
GLY A 910
GLY A 826
ASN A 876
 None
MPD  A8001 ( 3.5A)
None
None
None
 1.42A 4a99D-1sjxA:
undetectable		 4a99D-1sjxA:
16.37
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.
1tqh CARBOXYLESTERASE
PRECURSOR

(Geobacillus
stearothermophilus) 		PF12146
(Hydrolase_4) 		5 MET A 115
HIS A  23
GLY A  96
SER A 100
GLY A  36
 None
 1.16A 4a99D-1tqhA:
2.3		 4a99D-1tqhA:
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.
2bvm TOXIN B

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		5 GLN A 402
MET A 447
PHE A 446
ASN A 490
ASN A 412
 None
 1.27A 4a99D-2bvmA:
0.2		 4a99D-2bvmA:
23.39
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.
2ha9 UPF0210 PROTEIN
SP0239

(Streptococcus
pneumoniae) 		PF05167
(DUF711) 		5 PHE A 114
GLY A 113
SER A 145
GLY A 125
ASN A 131
 None
 1.39A 4a99D-2ha9A:
0.0		 4a99D-2ha9A:
20.75
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.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.32A 4a99D-2wk2A:
undetectable		 4a99D-2wk2A:
22.05
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.
2wkn FORMAMIDASE

(Delftia
acidovorans) 		PF03069
(FmdA_AmdA) 		5 ARG A 218
GLY A 156
SER A 247
GLY A 211
ASN A  22
 None
 1.23A 4a99D-2wknA:
undetectable		 4a99D-2wknA:
21.26
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.
2wzf GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		5 MET A 269
PHE A 130
GLY A 242
GLY A  89
ASN A 126
 None
 1.19A 4a99D-2wzfA:
undetectable		 4a99D-2wzfA:
21.54
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.
2wzg GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		5 MET A 269
PHE A 130
GLY A 242
GLY A  89
ASN A 126
 None
 1.20A 4a99D-2wzgA:
undetectable		 4a99D-2wzgA:
21.43
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.
3asi NEUREXIN-1-ALPHA

(Bos taurus) 		PF02210
(Laminin_G_2) 		5 GLN A1064
PHE A1068
GLY A1067
GLY A1059
ASN A1083
 None
 1.38A 4a99D-3asiA:
undetectable		 4a99D-3asiA:
21.90
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.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 PHE A 309
GLY A 308
SER A 297
GLY A 350
ASN A 294
 None
 1.43A 4a99D-3gq9A:
undetectable		 4a99D-3gq9A:
22.26
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.
3mnm ADP-RIBOSYLATION
FACTOR-BINDING
PROTEIN GGA2

(Saccharomyces
cerevisiae) 		PF02883
(Alpha_adaptinC2) 		5 GLN A 544
PHE A 501
ASN A 532
SER A 499
ASN A 476
 None
None
None
MLY  A 498 ( 4.1A)
None
 1.46A 4a99D-3mnmA:
undetectable		 4a99D-3mnmA:
16.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		9 ARG A 213
MET A 215
ASN A 226
HIS A 234
GLY A 236
SER A 238
GLY A 321
ASN A 371
MET A 375
 SO4  A   1 (-4.5A)
None
SO4  A   1 (-4.5A)
SO4  A   1 ( 4.6A)
None
None
None
None
None
 0.79A 4a99D-3p9uA:
58.1		 4a99D-3p9uA:
94.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		9 GLN A 192
ARG A 213
MET A 215
ASN A 226
HIS A 234
GLY A 236
SER A 238
GLY A 321
ASN A 371
 FAD  A 401 (-3.4A)
SO4  A   1 (-4.5A)
None
SO4  A   1 (-4.5A)
SO4  A   1 ( 4.6A)
None
None
None
None
 0.96A 4a99D-3p9uA:
58.1		 4a99D-3p9uA:
94.47
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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 PHE A 309
GLY A 308
SER A 297
GLY A 350
ASN A 294
 None
 1.43A 4a99D-3sucA:
undetectable		 4a99D-3sucA:
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ARG A  25
PHE A  77
ASN A  33
GLY A  28
MET A  60
 None
 1.46A 4a99D-3wy2A:
undetectable		 4a99D-3wy2A:
22.87
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 PHE A 137
HIS A 161
GLY A 149
GLY A  69
ASN A 120
 None
 1.30A 4a99D-3zq4A:
undetectable		 4a99D-3zq4A:
21.99
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.
4ccl 50S RIBOSOMAL
PROTEIN L16 ARGININE
HYDROXYLASE

(Escherichia
coli) 		PF08007
(Cupin_4) 		5 GLN A 135
ASN A 194
GLY A 136
GLY A 121
MET A 112
 None
None
None
None
SO4  A1375 (-4.5A)
 1.06A 4a99D-4cclA:
undetectable		 4a99D-4cclA:
21.19
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.
4e54 DNA DAMAGE-BINDING
PROTEIN 2

(Homo sapiens) 		PF00400
(WD40) 		5 ASN B 292
HIS B 247
GLY B 161
SER B 175
GLY B 223
 None
 1.19A 4a99D-4e54B:
undetectable		 4a99D-4e54B:
21.94
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.
4i9y E3 SUMO-PROTEIN
LIGASE RANBP2

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 PHE A  48
ASN A  50
GLY A  65
SER A 110
GLY A  45
 None
 1.39A 4a99D-4i9yA:
undetectable		 4a99D-4i9yA:
18.59
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.
4mlg BETA-XYLOSIDASE

(uncultured
organism) 		PF04616
(Glyco_hydro_43) 		5 ARG A 301
HIS A 244
GLY A 241
GLY A  43
MET A 135
 SO4  A 402 (-3.5A)
None
None
None
None
 1.44A 4a99D-4mlgA:
undetectable		 4a99D-4mlgA:
19.90
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.
4n58 PECTOCIN M2

(Pectobacterium
carotovorum) 		PF00111
(Fer2)
PF14859
(Colicin_M) 		5 ARG A 183
MET A 201
ASN A 184
GLY A 152
ASN A 149
 None
None
None
None
SO4  A 308 (-3.9A)
 1.49A 4a99D-4n58A:
undetectable		 4a99D-4n58A:
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.
4rih GLYCOSYL TRANSFERASE
HOMOLOG,GLYCOSYL
TRANSFERASE

(Streptomyces
cyanogenus;
Streptomyces
fradiae) 		PF06722
(DUF1205) 		5 MET A 116
PHE A  88
HIS A  86
GLY A  89
GLY A 306
 None
 1.37A 4a99D-4rihA:
3.1		 4a99D-4rihA:
21.46
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT V,
CHLOROPLASTIC

(Pisum sativum) 		PF00223
(PsaA_PsaB)
PF01241
(PSI_PSAK) 		5 GLN G  94
ARG G 107
GLY G  98
GLY B 298
ASN B 176
 None
None
None
CLA  B1218 (-3.8A)
None
 1.45A 4a99D-4rkuG:
undetectable		 4a99D-4rkuG:
13.32
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		5 PHE A 576
ASN A 570
GLY A 477
GLY A 518
ASN A 410
 None
 1.24A 4a99D-4txgA:
undetectable		 4a99D-4txgA:
18.82
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		5 ASN A 264
GLY A 119
SER A 391
GLY A 114
ASN A 341
 None
FAD  A 701 (-3.3A)
None
None
None
 1.43A 4a99D-4uirA:
12.0		 4a99D-4uirA:
22.80
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.
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		5 PHE G1422
ASN G1424
HIS G1453
GLY G1451
GLY G1430
 None
 1.31A 4a99D-4z94G:
undetectable		 4a99D-4z94G:
21.97
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.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 PHE A 309
ASN A 316
GLY A 312
GLY A 266
MET A 381
 PHE  A 309 ( 1.3A)
ASN  A 316 ( 0.6A)
GLY  A 312 ( 0.0A)
GLY  A 266 ( 0.0A)
MET  A 381 ( 0.0A)
 1.21A 4a99D-5gprA:
undetectable		 4a99D-5gprA:
22.14
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.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 GLN A  56
ARG A 322
ASN A 297
GLY A 440
GLY A 289
 None
 1.15A 4a99D-5xgvA:
27.3		 4a99D-5xgvA:
14.42
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 5 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 390
 None
None
None
None
GOL  A 706 (-3.3A)
 1.19A 4a99D-5zl9A:
undetectable		 4a99D-5zl9A:
12.43
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.
6apg DISD PROTEIN

(Sorangium
cellulosum) 		no annotation 5 GLN A  12
ARG A 111
GLY A  10
GLY A 116
MET A 123
 None
MLI  A 301 (-3.3A)
None
None
MLI  A 301 ( 4.4A)
 1.34A 4a99D-6apgA:
undetectable		 4a99D-6apgA:
12.34
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.
6bgd GLUCOSE/GALACTOSE-BI
NDING LIPOPROTEIN

(Treponema
pallidum) 		no annotation 5 GLN A 220
ARG A  20
ASN A 362
GLY A  45
ASN A  90
 EDO  A 408 ( 4.8A)
None
EDO  A 410 ( 4.0A)
EDO  A 408 (-2.7A)
None
 1.48A 4a99D-6bgdA:
undetectable		 4a99D-6bgdA:
12.63
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.
6fea NITROGENASE PROTEIN
ALPHA CHAIN

(Azotobacter
vinelandii) 		no annotation 5 ASN A 184
HIS A 180
GLY A  53
GLY A 237
ASN A  93
 None
D6N  A 502 (-4.6A)
None
None
None
 1.35A 4a99D-6feaA:
2.9		 4a99D-6feaA:
16.47