SIMILAR PATTERNS OF AMINO ACIDS FOR 3CB8_A_SAMA501

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.
1lar PROTEIN (LAR)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 SER A1370
ASP A1378
LYS A1352
VAL A1348
LEU A1346
 None
 1.44A 3cb8A-1larA:
undetectable		 3cb8A-1larA:
21.08
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.
1ng0 COAT PROTEIN

(Cocksfoot
mottle virus) 		PF00729
(Viral_coat) 		5 TYR A 213
ASN A 206
GLU A 203
ARG A 217
VAL A 214
 TYR  A 213 ( 1.3A)
ASN  A 206 ( 0.6A)
GLU  A 203 ( 0.5A)
ARG  A 217 ( 0.6A)
VAL  A 214 ( 0.6A)
 1.13A 3cb8A-1ng0A:
undetectable		 3cb8A-1ng0A:
20.98
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.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 TYR A  54
ASN A  25
GLU A  16
VAL A  51
LEU A 361
 None
 1.37A 3cb8A-1vefA:
1.5		 3cb8A-1vefA:
20.40
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.
2aam HYPOTHETICAL PROTEIN
TM1410

(Thermotoga
maritima) 		PF03537
(Glyco_hydro_114) 		5 TYR A  39
ASN A 226
GLU A 205
ASP A 159
ARG A 157
 GOL  A  14 (-4.8A)
GOL  A  12 (-4.2A)
None
None
None
 1.33A 3cb8A-2aamA:
6.1		 3cb8A-2aamA:
23.62
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 HIS A  26
ASN A  27
ASP A 127
VAL A  94
TYR A 143
 None
 1.47A 3cb8A-2dphA:
2.7		 3cb8A-2dphA:
22.36
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.
2irm MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7
INTERACTING PROTEIN
1

(Anopheles
gambiae) 		PF00481
(PP2C) 		5 TYR A 177
SER A  55
ASN A  58
VAL A  99
LEU A 102
 None
 1.14A 3cb8A-2irmA:
0.2		 3cb8A-2irmA:
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.
2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2

(Bacillus
subtilis) 		PF00884
(Sulfatase) 		5 TYR A 380
HIS A 343
SER A 251
ASP A 471
ASN A 411
 None
None
TPO  A 297 ( 4.3A)
MG  A1636 (-2.6A)
None
 1.50A 3cb8A-2w8dA:
0.1		 3cb8A-2w8dA:
20.05
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		5 SER A 439
GLU A 396
ASN A  35
ARG A  84
LEU A  88
 None
 1.42A 3cb8A-2ynkA:
undetectable		 3cb8A-2ynkA:
18.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		5 TYR A  35
HIS A  37
LYS A 131
VAL A 168
TYR A 201
 None
MT2  A 501 (-4.2A)
SF4  A 500 (-3.7A)
None
None
 0.74A 3cb8A-3c8fA:
38.0		 3cb8A-3c8fA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		7 TYR A  35
SER A  76
ASP A 104
LYS A 131
ARG A 166
VAL A 168
TYR A 201
 None
MT2  A 501 ( 4.0A)
MT2  A 501 (-4.2A)
SF4  A 500 (-3.7A)
MT2  A 501 (-3.1A)
None
None
 1.00A 3cb8A-3c8fA:
38.0		 3cb8A-3c8fA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		7 TYR A  35
SER A  76
GLU A  79
ASP A 104
LYS A 131
VAL A 168
TYR A 201
 None
MT2  A 501 ( 4.0A)
None
MT2  A 501 (-4.2A)
SF4  A 500 (-3.7A)
None
None
 0.58A 3cb8A-3c8fA:
38.0		 3cb8A-3c8fA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		6 TYR A  35
SER A  76
GLU A  79
LYS A 131
VAL A 168
LEU A 199
 None
MT2  A 501 ( 4.0A)
None
SF4  A 500 (-3.7A)
None
None
 0.94A 3cb8A-3c8fA:
38.0		 3cb8A-3c8fA:
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.
3g8y SUSD/RAGB-ASSOCIATED
ESTERASE-LIKE
PROTEIN

(Bacteroides
vulgatus) 		PF12715
(Abhydrolase_7) 		5 TYR A 387
SER A 256
GLU A 260
ASP A 279
VAL A 391
 None
EDO  A   4 ( 3.8A)
EDO  A   9 ( 4.6A)
EDO  A   2 (-3.6A)
None
 1.41A 3cb8A-3g8yA:
1.7		 3cb8A-3g8yA:
21.21
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.
3i6t MUCONATE
CYCLOISOMERASE

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 325
HIS A 305
SER A  55
LEU A 331
TYR A 329
 None
 1.34A 3cb8A-3i6tA:
3.8		 3cb8A-3i6tA:
19.16
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.
3nuz PUTATIVE ACETYL
XYLAN ESTERASE

(Bacteroides
fragilis) 		PF12715
(Abhydrolase_7) 		5 TYR A 387
SER A 256
GLU A 260
ASP A 279
VAL A 391
 None
 1.34A 3cb8A-3nuzA:
2.7		 3cb8A-3nuzA:
22.28
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.
4af2 THIOL PEROXIDASE

(Escherichia
coli) 		PF08534
(Redoxin) 		5 ASN A  51
SER A  61
VAL A 120
LEU A 115
TYR A 118
 None
 1.36A 3cb8A-4af2A:
undetectable		 3cb8A-4af2A:
20.08
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.
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 5 TYR A 484
ASN A 481
GLU A 313
VAL A 272
TYR A 266
 None
None
None
IOD  A1706 ( 4.3A)
None
 1.34A 3cb8A-4aw7A:
5.6		 3cb8A-4aw7A:
16.19
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.
4b0t PUP--PROTEIN LIGASE

(Corynebacterium
glutamicum) 		PF03136
(Pup_ligase) 		5 ASN A  78
GLU A 309
ASN A 317
ARG A 322
VAL A 323
 None
 1.20A 3cb8A-4b0tA:
undetectable		 3cb8A-4b0tA:
19.80
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.
4het HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 ASP A 272
ARG A 303
VAL A 276
LEU A 301
TYR A 278
 None
 1.35A 3cb8A-4hetA:
undetectable		 3cb8A-4hetA:
20.49
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.
4jdz SER-ASP RICH
FIBRINOGEN/BONE
SIALOPROTEIN-BINDING
PROTEIN SDRD

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C)
PF17210
(SdrD_B) 		5 ASN A 661
GLU A 315
ASP A 665
ASN A 313
VAL A 588
 None
None
CA  A 702 (-2.3A)
None
None
 1.30A 3cb8A-4jdzA:
undetectable		 3cb8A-4jdzA:
18.39
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.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 TYR A  21
GLU A  67
ASN A 100
VAL A 165
TYR A 207
 SAM  A 504 (-4.6A)
SAM  A 504 (-4.1A)
SF4  A 503 ( 4.2A)
SAM  A 504 (-4.7A)
None
 1.19A 3cb8A-4k37A:
12.8		 3cb8A-4k37A:
21.69
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.
4o2l GTP-BINDING PROTEIN
RHEB

(Mus musculus) 		PF00071
(Ras) 		5 SER A  68
LYS A  19
ARG A  15
VAL A  17
TYR A  85
 None
GTP  A 201 ( 2.6A)
None
GTP  A 201 (-4.1A)
None
 1.38A 3cb8A-4o2lA:
1.9		 3cb8A-4o2lA:
21.72
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.
4v23 MATRIX PROTEIN

(Respiratory
syncytial virus) 		PF03393
(Pneumo_matrix) 		5 TYR A  20
ASN A  54
SER A  78
VAL A  18
LEU A 117
 None
 1.36A 3cb8A-4v23A:
undetectable		 3cb8A-4v23A:
21.16
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.
5h53 SKELETAL MUSCLE
MYOSIN HEAVY CHAIN
MYHC-EO/IIL
MYOSIN LIGHT CHAIN
1/3, SKELETAL MUSCLE
ISOFORM

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N)
PF13405
(EF-hand_6) 		5 ASN C  83
SER C  71
ASP C  75
LYS C 162
LEU A 795
 None
 1.43A 3cb8A-5h53C:
undetectable		 3cb8A-5h53C:
23.20
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.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 TYR A 253
HIS A 252
ASN A 168
ASN A 263
ARG A 256
 None
ZN  A 401 (-4.0A)
ZN  A 401 (-3.8A)
None
None
 1.36A 3cb8A-5j1lA:
undetectable		 3cb8A-5j1lA:
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.
5mux 2-METHYLCITRATE
DEHYDRATASE

(Bacillus
subtilis) 		no annotation 5 TYR A 339
HIS A 354
ASN A 361
ARG A 364
LEU A 346
 None
 1.45A 3cb8A-5muxA:
undetectable		 3cb8A-5muxA:
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.
5tnv AP ENDONUCLEASE,
FAMILY PROTEIN 2

(Mycolicibacterium
smegmatis) 		PF01261
(AP_endonuc_2) 		5 TYR A 221
GLU A 176
ASN A 206
ARG A 238
VAL A 259
 None
None
MG  A 401 ( 4.1A)
None
None
 1.45A 3cb8A-5tnvA:
2.6		 3cb8A-5tnvA:
21.05