SIMILAR PATTERNS OF AMINO ACIDS FOR 3H9U_B_ADNB438_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.
1tve HOMOSERINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 THR A 225
ASN A 216
LEU A 218
GLY A 217
PHE A 241
 None
 1.36A 3h9uB-1tveA:
3.4		 3h9uB-1tveA:
22.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 HIS A  54
THR A  56
ASN A 391
LEU A 392
GLY A 397
HIS A 398
MET A 403
PHE A 407
 ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
NAD  A 501 (-3.0A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.28A 3h9uB-1v8bA:
55.1		 3h9uB-1v8bA:
51.55
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 THR A 158
GLN A 156
THR A 157
LEU A  36
GLY A 197
 None
 1.49A 3h9uB-1zj9A:
undetectable		 3h9uB-1zj9A:
22.74
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.
2g5c PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF02153
(PDH) 		5 THR A 120
LEU A 172
GLY A 145
MET A  96
PHE A  94
 None
 1.47A 3h9uB-2g5cA:
8.3		 3h9uB-2g5cA:
20.81
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.
2g5c PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF02153
(PDH) 		5 THR A 120
LEU A 172
GLY A 146
MET A  96
PHE A  94
 None
 1.16A 3h9uB-2g5cA:
8.3		 3h9uB-2g5cA:
20.81
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		5 THR A 671
THR A 668
ASN A 284
LEU A 380
HIS A 571
 None
 1.16A 3h9uB-2gj4A:
5.5		 3h9uB-2gj4A:
19.95
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.32A 3h9uB-2wabA:
6.1		 3h9uB-2wabA:
21.67
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
 GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.36A 3h9uB-2wabA:
6.1		 3h9uB-2wabA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 HIS A  69
THR A  71
GLN A  73
THR A  74
ASN A 409
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.19A 3h9uB-3ce6A:
55.6		 3h9uB-3ce6A:
56.91
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.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 HIS A 192
THR A 167
THR A 212
LEU A 132
GLY A 129
 NI  A 401 (-3.4A)
None
None
None
None
 1.40A 3h9uB-3egjA:
undetectable		 3h9uB-3egjA:
22.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 HIS A  52
THR A  54
GLN A  56
THR A  57
ASN A 345
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
NAD  A 439 (-3.1A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.21A 3h9uB-3g1uA:
62.6		 3h9uB-3g1uA:
85.35
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.
3ggg PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		no annotation 5 THR D 120
LEU D 172
GLY D 145
MET D  96
PHE D  94
 None
 1.40A 3h9uB-3gggD:
3.5		 3h9uB-3gggD:
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.
3ggg PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		no annotation 5 THR D 120
LEU D 172
GLY D 146
MET D  96
PHE D  94
 None
 1.07A 3h9uB-3gggD:
3.5		 3h9uB-3gggD:
22.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 HIS A  62
THR A  64
GLN A  66
THR A  67
ASN A 387
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
 RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
NAD  A 601 (-3.0A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.19A 3h9uB-3glqA:
58.1		 3h9uB-3glqA:
57.97
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.
3k5h PHOSPHORIBOSYL-AMINO
IMIDAZOLE
CARBOXYLASE

(Aspergillus
clavatus) 		PF01262
(AlaDh_PNT_C)
PF02222
(ATP-grasp) 		5 HIS A 273
THR A 209
GLY A 276
HIS A 277
MET A 313
 None
 1.43A 3h9uB-3k5hA:
3.5		 3h9uB-3k5hA:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 HIS A  55
THR A  57
GLN A  59
THR A  60
ASN A 380
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.16A 3h9uB-3n58A:
58.3		 3h9uB-3n58A:
61.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 HIS A  62
THR A  64
GLN A  66
THR A  67
ASN A 397
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-3.0A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.16A 3h9uB-3oneA:
56.0		 3h9uB-3oneA:
59.96
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.
4amf PHOX

(Pseudomonas
fluorescens) 		PF05787
(DUF839) 		5 THR A  92
ASN A 146
LEU A 114
GLY A 145
HIS A 144
 None
 1.41A 3h9uB-4amfA:
undetectable		 3h9uB-4amfA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 HIS A  58
THR A  60
GLN A  62
THR A  63
ASN A 385
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.17A 3h9uB-4lvcA:
57.5		 3h9uB-4lvcA:
58.85
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.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 THR A 285
ASN A 319
LEU A 478
GLY A 317
PHE A 212
 None
 1.17A 3h9uB-4oe5A:
3.2		 3h9uB-4oe5A:
22.38
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ASN A  64
LEU A  62
GLY A  65
HIS A  66
PHE A  90
 None
None
None
TPP  A 701 ( 3.5A)
None
 1.24A 3h9uB-5i51A:
undetectable		 3h9uB-5i51A:
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.
5jkn PROTEIN FAM63A

(Homo sapiens) 		PF04424
(MINDY_DUB) 		5 THR A 295
THR A 290
LEU A 241
GLY A 239
HIS A 238
 None
 1.42A 3h9uB-5jknA:
undetectable		 3h9uB-5jknA:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  46
GLY A 335
HIS A 336
MET A 341
PHE A 345
 None
 0.82A 3h9uB-5tovA:
14.0		 3h9uB-5tovA:
39.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 HIS A  53
THR A  55
THR A  58
ASN A 403
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
 SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-4.2A)
NAD  A 501 (-2.9A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.23A 3h9uB-5utuA:
52.9		 3h9uB-5utuA:
51.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 HIS A  59
THR A  61
THR A  64
ASN A 388
LEU A 389
GLY A 394
HIS A 395
MET A 400
PHE A 404
 ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-4.4A)
NAD  A 501 (-3.1A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.18A 3h9uB-5v96A:
56.9		 3h9uB-5v96A:
55.69
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.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ASN A  61
LEU A  59
GLY A  62
HIS A  63
PHE A  87
 OCS  A 154 ( 4.3A)
None
None
CA  A 704 ( 4.9A)
None
 1.26A 3h9uB-5vrbA:
2.6		 3h9uB-5vrbA:
21.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASN A 346
LEU A 347
GLY A 352
HIS A 353
MET A 358
 NAD  A 501 (-3.1A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 0.50A 3h9uB-5w4bA:
52.3		 3h9uB-5w4bA:
72.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  55
THR A  57
THR A  60
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
9W4  A 502 (-3.6A)
None
 0.24A 3h9uB-5w4bA:
52.3		 3h9uB-5w4bA:
72.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  57
ASN A 346
LEU A 347
GLY A 352
HIS A 353
 9W4  A 502 (-2.9A)
NAD  A 501 (-3.1A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
 0.83A 3h9uB-5w4bA:
52.3		 3h9uB-5w4bA:
72.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 HIS A  58
THR A  60
GLN A  62
THR A  63
ASN A 351
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
NAD  A 500 (-3.1A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.14A 3h9uB-6aphA:
63.0		 3h9uB-6aphA:
66.23
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.
6f3m -

(-) 		no annotation 10 HIS B  61
THR B  63
GLN B  65
THR B  66
ASN B 375
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
NAD  B 501 (-3.0A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.19A 3h9uB-6f3mB:
57.0		 3h9uB-6f3mB:
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 HIS A 188
THR A 162
THR A 208
LEU A 126
GLY A 123
 CD  A 403 ( 3.6A)
None
None
None
None
 1.40A 3h9uB-6fv4A:
2.7		 3h9uB-6fv4A:
10.43
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.
6gbn -

(-) 		no annotation 10 HIS A  56
THR A  58
GLN A  60
THR A  61
ASN A 349
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
NAD  A 502 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.15A 3h9uB-6gbnA:
62.1		 3h9uB-6gbnA:
undetectable