SIMILAR PATTERNS OF AMINO ACIDS FOR 2X7H_A_PFNA1372_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.
1si8 CATALASE

(Enterococcus
faecalis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 LEU A 113
LYS A 114
LEU A  88
LEU A 124
THR A 117
 None
 1.34A 2x7hA-1si8A:
0.0
2x7hB-1si8A:
0.0		 2x7hA-1si8A:
23.28
2x7hB-1si8A:
23.28
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 LEU A  29
LYS A  27
LEU A  30
HIS A 409
MET A 411
 None
 0.93A 2x7hA-1sqjA:
0.0
2x7hB-1sqjA:
0.0		 2x7hA-1sqjA:
19.42
2x7hB-1sqjA:
19.42
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.
1z7a CONSERVED
HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF01522
(Polysacc_deac_1) 		5 TYR A 244
LEU A 243
LEU A 254
LYS A 237
HIS A 282
 None
 1.18A 2x7hA-1z7aA:
0.1
2x7hB-1z7aA:
1.4		 2x7hA-1z7aA:
20.96
2x7hB-1z7aA:
20.96
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.
2bgh VINORINE SYNTHASE

(Rauvolfia
serpentina) 		PF02458
(Transferase) 		5 LEU A  71
LEU A  67
LEU A  77
MET A 291
THR A 176
 None
 1.45A 2x7hA-2bghA:
0.0
2x7hB-2bghA:
0.0		 2x7hA-2bghA:
23.61
2x7hB-2bghA:
23.61
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.
2f1n CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B

(Escherichia
coli) 		PF03372
(Exo_endo_phos) 		5 LEU A 123
LEU A 100
LEU A  98
HIS A 136
THR A   9
 None
 1.40A 2x7hA-2f1nA:
0.1
2x7hB-2f1nA:
0.1		 2x7hA-2f1nA:
24.54
2x7hB-2f1nA:
24.54
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.
2nlx XYLULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 TYR A 259
LEU A 373
LEU A 406
HIS A 381
PRO A 387
 None
 1.27A 2x7hA-2nlxA:
0.0
2x7hB-2nlxA:
0.0		 2x7hA-2nlxA:
23.21
2x7hB-2nlxA:
23.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 TYR A 161
LEU A 164
LEU A 170
LEU A 192
LYS A 195
MET A 322
 DIF  A1376 (-4.3A)
DIF  A1376 ( 4.5A)
DIF  A1376 ( 4.5A)
DIF  A1376 (-4.4A)
None
DIF  A1376 (-3.6A)
 0.15A 2x7hA-2wekA:
59.3
2x7hB-2wekA:
59.2		 2x7hA-2wekA:
97.71
2x7hB-2wekA:
97.71
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.
3ble CITRAMALATE SYNTHASE
FROM LEPTOSPIRA
INTERROGANS

(Leptospira
interrogans) 		PF00682
(HMGL-like) 		5 TYR A 144
LEU A 103
LEU A 101
LEU A 104
HIS A 207
 MLI  A 701 ( 4.0A)
None
None
MLI  A 701 ( 4.9A)
ZN  A1003 ( 3.4A)
 1.45A 2x7hA-3bleA:
0.4
2x7hB-3bleA:
0.2		 2x7hA-3bleA:
23.90
2x7hB-3bleA:
23.90
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 LEU A 333
LYS A 331
LEU A 329
LEU A 336
PRO A 300
 None
 1.19A 2x7hA-3bt7A:
6.2
2x7hB-3bt7A:
6.2		 2x7hA-3bt7A:
21.88
2x7hB-3bt7A:
21.88
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.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens) 		PF01522
(Polysacc_deac_1) 		5 TYR A 244
LEU A 243
LEU A 254
LYS A 237
HIS A 282
 None
 1.22A 2x7hA-3cl6A:
undetectable
2x7hB-3cl6A:
undetectable		 2x7hA-3cl6A:
22.54
2x7hB-3cl6A:
22.54
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.
3f5x CYCLIN-A2

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		5 LEU B 336
LEU B 394
LEU B 339
HIS B 404
PRO B 346
 None
 1.40A 2x7hA-3f5xB:
undetectable
2x7hB-3f5xB:
undetectable		 2x7hA-3f5xB:
22.81
2x7hB-3f5xB:
22.81
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		5 LEU A 259
LEU A 333
MET A 275
THR A 328
PRO A 399
 None
 1.34A 2x7hA-3griA:
undetectable
2x7hB-3griA:
undetectable		 2x7hA-3griA:
22.54
2x7hB-3griA:
22.54
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		5 TYR B 179
LEU B 158
LEU B 161
LEU B 198
PRO B 122
 None
 1.34A 2x7hA-3jb9B:
1.7
2x7hB-3jb9B:
1.7		 2x7hA-3jb9B:
17.28
2x7hB-3jb9B:
17.28
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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 LEU A  75
LEU A  72
LEU A  74
PRO A 132
PRO A  80
 None
 1.46A 2x7hA-3ppcA:
undetectable
2x7hB-3ppcA:
undetectable		 2x7hA-3ppcA:
20.54
2x7hB-3ppcA:
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.
3tco THIOREDOXIN (TRXA-1)

(Sulfolobus
solfataricus) 		PF00085
(Thioredoxin) 		5 TYR A 131
LEU A 132
LYS A 130
LEU A  47
THR A 123
 None
None
EDO  A 504 (-2.7A)
None
None
 1.44A 2x7hA-3tcoA:
undetectable
2x7hB-3tcoA:
undetectable		 2x7hA-3tcoA:
15.88
2x7hB-3tcoA:
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.
3tr7 URACIL-DNA
GLYCOSYLASE

(Coxiella
burnetii) 		PF03167
(UDG) 		5 LEU A  78
LEU A 123
LYS A 115
HIS A 110
PRO A 108
 None
 1.47A 2x7hA-3tr7A:
undetectable
2x7hB-3tr7A:
1.7		 2x7hA-3tr7A:
22.01
2x7hB-3tr7A:
22.01
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 TYR A 466
LEU A 469
LYS A 470
LEU A 500
PRO A 399
 None
 1.13A 2x7hA-4cu8A:
undetectable
2x7hB-4cu8A:
undetectable		 2x7hA-4cu8A:
18.38
2x7hB-4cu8A:
18.38
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.
4trq NUCLEAR MRNA EXPORT
PROTEIN SAC3
NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF03399
(SAC3_GANP) 		5 LEU A 511
LEU A 458
MET A 480
THR A 464
PRO B 419
 None
 0.95A 2x7hA-4trqA:
undetectable
2x7hB-4trqA:
undetectable		 2x7hA-4trqA:
20.47
2x7hB-4trqA:
20.47
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.
5b4s CHITOSANASE

(Mitsuaria
chitosanitabida) 		PF13647
(Glyco_hydro_80) 		5 LEU A 201
LEU A 267
LEU A 240
MET A 308
THR A 299
 None
 1.43A 2x7hA-5b4sA:
undetectable
2x7hB-5b4sA:
undetectable		 2x7hA-5b4sA:
25.06
2x7hB-5b4sA:
25.06
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.
5by8 RPF2

(Aspergillus
nidulans) 		PF04427
(Brix) 		5 LEU A 189
LEU A 171
LYS A 173
HIS A  56
PRO A 144
 None
 1.49A 2x7hA-5by8A:
undetectable
2x7hB-5by8A:
undetectable		 2x7hA-5by8A:
21.43
2x7hB-5by8A:
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF06444
(NADH_dehy_S2_C) 		5 TYR N 293
LEU N 249
LEU N 257
LEU N 248
MET N 179
 None
 1.34A 2x7hA-5lc5N:
undetectable
2x7hB-5lc5N:
undetectable		 2x7hA-5lc5N:
22.68
2x7hB-5lc5N:
22.68
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.
5wue UNCHARACTERIZED
PROTEIN

(Sulfolobus
acidocaldarius) 		PF03458
(UPF0126) 		5 LEU A  56
LEU A  57
LYS A  59
THR A  63
PRO A  62
 None
 1.46A 2x7hA-5wueA:
undetectable
2x7hB-5wueA:
undetectable		 2x7hA-5wueA:
20.69
2x7hB-5wueA:
20.69
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.
6b4c -

(-) 		no annotation 5 LEU A  60
LYS A  61
LEU A  57
LEU A  59
THR A  92
 None
 1.33A 2x7hA-6b4cA:
2.0
2x7hB-6b4cA:
undetectable		 2x7hA-6b4cA:
undetectable
2x7hB-6b4cA:
undetectable