SIMILAR PATTERNS OF AMINO ACIDS FOR 4IPM_A_ACTA503_0

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eg1 ENDOGLUCANASE I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		8 ASN A 142
TYR A 146
TYR A 170
ASP A 172
GLU A 196
ASP A 198
GLU A 201
TRP A 320
 None
 0.67A 4ipmA-1eg1A:
48.4		 4ipmA-1eg1A:
39.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ovw ENDOGLUCANASE I

(Fusarium
oxysporum) 		PF00840
(Glyco_hydro_7) 		9 ASN A 141
ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLU A 197
ASP A 199
GLU A 202
TRP A 347
 DP5  A 401 ( 4.2A)
DP5  A 401 (-3.6A)
DP5  A 401 (-3.5A)
None
DP5  A 401 (-3.4A)
DP5  A 401 ( 2.5A)
DP5  A 401 (-3.0A)
DP5  A 401 ( 2.9A)
DP5  A 401 (-3.7A)
 0.49A 4ipmA-1ovwA:
52.1		 4ipmA-1ovwA:
36.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q2e EXOCELLOBIOHYDROLASE
I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		9 ASN A 141
ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLU A 212
ASP A 214
GLU A 217
TRP A 367
 None
None
None
None
None
None
GLC  A 904 (-3.9A)
GLC  A 904 (-2.9A)
None
 0.53A 4ipmA-1q2eA:
61.3		 4ipmA-1q2eA:
53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9h CELLOBIOHYDROLASE I
CATALYTIC DOMAIN

(Rasamsonia
emersonii) 		PF00840
(Glyco_hydro_7) 		9 ASN A 138
ALA A 140
TYR A 142
TYR A 168
ASP A 170
GLU A 209
ASP A 211
GLU A 214
TRP A 371
 None
 0.45A 4ipmA-1q9hA:
61.2		 4ipmA-1q9hA:
55.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z3v CELLULASE

(Phanerochaete
chrysosporium) 		PF00840
(Glyco_hydro_7) 		9 ASN A 138
ALA A 140
TYR A 142
TYR A 168
ASP A 170
GLU A 207
ASP A 209
GLU A 212
TRP A 364
 None
None
None
None
None
None
None
LAT  A 500 ( 4.5A)
None
 0.47A 4ipmA-1z3vA:
62.5		 4ipmA-1z3vA:
55.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a39 ENDOGLUCANASE I

(Humicola
insolens) 		PF00840
(Glyco_hydro_7) 		9 ASN A 143
ALA A 145
TYR A 147
TYR A 171
ASP A 173
GLU A 197
ASP A 199
GLU A 202
TRP A 347
 None
 0.49A 4ipmA-2a39A:
51.2		 4ipmA-2a39A:
36.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Melanocarpus
albomyces) 		PF00840
(Glyco_hydro_7) 		8 ASN A 141
ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLU A 212
ASP A 214
TRP A 366
 None
CTR  A 431 ( 4.6A)
CTR  A 431 (-3.8A)
None
CTR  A 431 (-3.0A)
CTR  A 431 (-3.3A)
CTR  A 431 (-4.2A)
CTR  A 432 (-4.6A)
 0.43A 4ipmA-2rfzA:
59.8		 4ipmA-2rfzA:
49.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Melanocarpus
albomyces) 		PF00840
(Glyco_hydro_7) 		8 ASN A 141
TYR A 145
TYR A 171
ASP A 173
GLU A 212
ASP A 214
GLU A 217
TRP A 366
 None
CTR  A 431 (-3.8A)
None
CTR  A 431 (-3.0A)
CTR  A 431 (-3.3A)
CTR  A 431 (-4.2A)
CTR  A 431 (-3.1A)
CTR  A 432 (-4.6A)
 0.63A 4ipmA-2rfzA:
59.8		 4ipmA-2rfzA:
49.32
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.
2uwb CELLULASE

(Tropaeolum
majus) 		PF00722
(Glyco_hydro_16)
PF06955
(XET_C) 		5 TYR A  81
GLU A  94
ASP A  96
GLU A  98
TRP A 180
 None
 0.71A 4ipmA-2uwbA:
11.9		 4ipmA-2uwbA:
20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yg1 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Heterobasidion
annosum) 		PF00840
(Glyco_hydro_7) 		9 ASN A 143
ALA A 145
TYR A 147
TYR A 173
ASP A 175
GLU A 214
ASP A 216
GLU A 219
TRP A 375
 None
 0.44A 4ipmA-2yg1A:
63.5		 4ipmA-2yg1A:
59.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yok EXOGLUCANASE 1

(Trichoderma
harzianum) 		PF00840
(Glyco_hydro_7) 		8 ASN A 154
ALA A 156
TYR A 158
TYR A 184
ASP A 186
GLU A 225
ASP A 227
TRP A 380
 None
 0.27A 4ipmA-2yokA:
61.9		 4ipmA-2yokA:
54.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yok EXOGLUCANASE 1

(Trichoderma
harzianum) 		PF00840
(Glyco_hydro_7) 		8 ASN A 154
TYR A 158
TYR A 184
ASP A 186
GLU A 225
ASP A 227
GLU A 230
TRP A 380
 None
 0.64A 4ipmA-2yokA:
61.9		 4ipmA-2yokA:
54.30
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.
3d6e BETA-GLUCANASE

(Bacillus
licheniformis) 		PF00722
(Glyco_hydro_16) 		6 ALA A  77
TYR A  79
GLU A  92
ASP A  94
GLU A  96
TRP A 171
 None
 0.68A 4ipmA-3d6eA:
10.7		 4ipmA-3d6eA:
18.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4csi CELLULASE

(Humicola grisea) 		PF00840
(Glyco_hydro_7) 		9 ASN A 142
ALA A 144
TYR A 146
TYR A 172
ASP A 174
GLU A 213
ASP A 215
GLU A 218
TRP A 372
 PEG  A1439 ( 4.6A)
PEG  A1439 (-3.6A)
PEG  A1439 (-3.9A)
None
PEG  A1439 ( 3.9A)
PEG  A1439 (-2.8A)
PEG  A1439 ( 3.9A)
PEG  A1439 (-3.5A)
PEG  A1439 (-4.0A)
 0.49A 4ipmA-4csiA:
63.9		 4ipmA-4csiA:
55.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		9 ASN A 162
ALA A 164
TYR A 166
TYR A 192
ASP A 194
GLU A 233
ASP A 235
GLU A 238
TRP A 392
 None
None
None
None
None
None
None
CBI  A 501 ( 4.3A)
None
 0.43A 4ipmA-4haqA:
71.5		 4ipmA-4haqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4v20 CELLOBIOHYDROLASE

(Aspergillus
fumigatus) 		PF00840
(Glyco_hydro_7) 		9 ASN A 141
ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLU A 212
ASP A 214
GLU A 217
TRP A 374
 None
None
None
None
None
None
None
U63  A1443 ( 4.3A)
None
 0.49A 4ipmA-4v20A:
63.1		 4ipmA-4v20A:
55.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xeb GLUCANASE

(Talaromyces
funiculosus) 		PF00840
(Glyco_hydro_7) 		9 ASN A 138
ALA A 140
TYR A 142
TYR A 168
ASP A 170
GLU A 209
ASP A 211
GLU A 214
TRP A 371
 None
CE6  A 505 ( 4.7A)
CE6  A 505 (-4.3A)
None
K  A 506 (-3.2A)
K  A 506 (-2.6A)
K  A 506 ( 4.7A)
CBI  A 504 ( 4.4A)
CE6  A 505 (-3.7A)
 0.49A 4ipmA-4xebA:
62.3		 4ipmA-4xebA:
52.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
purpureum) 		PF00840
(Glyco_hydro_7) 		9 ASN A 140
ALA A 142
TYR A 144
TYR A 170
ASP A 172
GLU A 211
ASP A 213
GLU A 216
TRP A 373
 None
 0.63A 4ipmA-4zzpA:
61.7		 4ipmA-4zzpA:
52.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
discoideum) 		PF00840
(Glyco_hydro_7) 		9 ASN A 140
ALA A 142
TYR A 144
TYR A 170
ASP A 172
GLU A 211
ASP A 213
GLU A 216
TRP A 373
 None
 0.61A 4ipmA-4zzqA:
62.0		 4ipmA-4zzqA:
49.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		9 ASN A 141
ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLU A 212
ASP A 214
GLU A 217
TRP A 371
 None
 0.45A 4ipmA-5ampA:
62.5		 4ipmA-5ampA:
54.07
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.
5dze ENDO-GLUCANASE

(Vitis vinifera) 		PF00722
(Glyco_hydro_16) 		5 ASN A  73
TYR A  77
ASP A  91
GLU A  93
TRP A 171
 GLC  A 301 (-3.3A)
GLC  A 301 (-2.9A)
GLC  A 301 ( 2.8A)
BGC  A 305 ( 2.5A)
BGC  A 302 (-2.5A)
 0.70A 4ipmA-5dzeA:
12.4		 4ipmA-5dzeA:
18.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mch CELLOBIOHYDROLASE
CHBI

(Daphnia pulex) 		PF00840
(Glyco_hydro_7) 		9 ASN A 165
ALA A 167
TYR A 169
TYR A 195
ASP A 197
GLU A 236
ASP A 238
GLU A 241
TRP A 401
 None
None
None
None
None
GOL  A 501 (-3.3A)
GOL  A 501 (-2.9A)
GOL  A 501 (-3.5A)
None
 0.21A 4ipmA-5mchA:
64.8		 4ipmA-5mchA:
54.14
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.
5o5d GLUCANASE

(Trichoderma
atroviride) 		no annotation 9 ASN A 141
ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLU A 212
ASP A 214
GLU A 217
TRP A 367
 BTB  A 604 (-3.7A)
BTB  A 604 (-3.5A)
BTB  A 604 (-3.8A)
None
BTB  A 604 (-3.7A)
BTB  A 604 (-2.7A)
BTB  A 604 ( 3.4A)
BTB  A 604 ( 3.0A)
GOL  A 607 ( 3.5A)
 0.50A 4ipmA-5o5dA:
61.9		 4ipmA-5o5dA:
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.
5w0a GLUCANASE

(Trichoderma
harzianum) 		no annotation 9 ASN A 142
ALA A 144
TYR A 146
TYR A 170
ASP A 172
GLU A 196
ASP A 198
GLU A 201
TRP A 320
 ASN  A 142 ( 0.6A)
ALA  A 144 ( 0.0A)
TYR  A 146 ( 1.3A)
TYR  A 170 ( 1.3A)
ASP  A 172 ( 0.5A)
GLU  A 196 ( 0.6A)
ASP  A 198 (-0.6A)
GLU  A 201 (-0.5A)
TRP  A 320 ( 0.5A)
 0.55A 4ipmA-5w0aA:
48.2		 4ipmA-5w0aA:
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.
5w11 GLUCANASE

(Thermothelomyces
thermophila) 		no annotation 9 ASN A 142
ALA A 144
TYR A 146
TYR A 172
ASP A 174
GLU A 213
ASP A 215
GLU A 218
TRP A 372
 None
None
None
None
CTR  A 506 ( 4.6A)
CTR  A 506 ( 4.5A)
None
CTR  A 506 ( 4.3A)
None
 0.52A 4ipmA-5w11A:
63.3		 4ipmA-5w11A:
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.
5wut ULAM111

(Flavobacterium
sp.) 		no annotation 5 ALA A 100
GLU A 118
ASP A 120
GLU A 123
TRP A  98
 None
 1.14A 4ipmA-5wutA:
13.1		 4ipmA-5wutA:
undetectable