SIMILAR PATTERNS OF AMINO ACIDS FOR 1IVV_A_DAHA382_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a2v METHYLAMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		8 TYR A 305
THR A 401
ASN A 404
TYR A 407
HIS A 456
HIS A 458
HIS A 624
MET A 634
 TPQ  A 405 ( 4.7A)
TPQ  A 405 ( 4.0A)
TPQ  A 405 ( 3.3A)
None
CU  A   1 (-3.3A)
CU  A   1 (-3.2A)
CU  A   1 (-3.1A)
None
 0.33A 1ivvA-1a2vA:
47.9		 1ivvA-1a2vA:
34.56
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.
1ksi COPPER AMINE OXIDASE

(Pisum sativum) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		8 TYR A 286
THR A 383
ASN A 386
ASP A 388
HIS A 442
HIS A 444
HIS A 603
MET A 613
 TPQ  A 387 ( 4.5A)
TPQ  A 387 ( 3.8A)
TPQ  A 387 ( 3.1A)
TPQ  A 387 ( 3.9A)
CU  A 650 ( 3.3A)
CU  A 650 ( 3.3A)
CU  A 650 ( 3.2A)
None
 0.34A 1ivvA-1ksiA:
48.3		 1ivvA-1ksiA:
29.97
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.
1mu2 HIV-2 RT

(Human
immunodeficiency
virus 2) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 THR B 288
ASN A 493
ASP A 459
TYR A 440
VAL A 492
 None
 1.44A 1ivvA-1mu2B:
undetectable		 1ivvA-1mu2B:
20.35
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		5 THR A 462
ASP A 467
TYR A 468
HIS A 526
HIS A 524
 TPQ  A 466 ( 3.8A)
TPQ  A 466 ( 3.8A)
TPQ  A 466 ( 3.8A)
CU  A 801 (-3.2A)
CU  A 801 (-3.4A)
 1.14A 1ivvA-1qafA:
48.0		 1ivvA-1qafA:
28.59
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		9 TYR A 369
THR A 462
ASN A 465
ASP A 467
TYR A 468
HIS A 524
HIS A 526
HIS A 689
MET A 699
 TPQ  A 466 ( 4.4A)
TPQ  A 466 ( 3.8A)
TPQ  A 466 ( 3.3A)
TPQ  A 466 ( 3.8A)
TPQ  A 466 ( 3.8A)
CU  A 801 (-3.4A)
CU  A 801 (-3.2A)
CU  A 801 (-3.2A)
CU  A 801 ( 4.6A)
 0.57A 1ivvA-1qafA:
48.0		 1ivvA-1qafA:
28.59
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.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		8 TYR A 384
THR A 474
ASN A 477
ASP A 479
TYR A 480
HIS A 528
HIS A 530
HIS A 694
 TPQ  A 478 ( 4.7A)
TPQ  A 478 ( 3.7A)
IMD  A 821 (-2.7A)
TPQ  A 478 ( 3.8A)
TPQ  A 478 ( 3.9A)
CU  A 801 (-3.2A)
CU  A 801 (-3.2A)
CU  A 801 (-3.1A)
 0.66A 1ivvA-1w7cA:
37.1		 1ivvA-1w7cA:
25.16
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.
1xwi SKD1 PROTEIN

(Homo sapiens) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 THR A 322
ASN A 319
ASP A 325
VAL A 409
MET A 414
 None
 1.40A 1ivvA-1xwiA:
undetectable		 1ivvA-1xwiA:
17.98
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.
1zoi ESTERASE

(Pseudomonas
putida) 		PF00561
(Abhydrolase_1) 		5 ASP A  77
VAL A  83
HIS A  26
HIS A  28
HIS A  93
 None
 1.44A 1ivvA-1zoiA:
undetectable		 1ivvA-1zoiA:
19.17
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		8 TYR A 372
THR A 467
ASN A 470
ASP A 472
TYR A 473
HIS A 520
HIS A 522
HIS A 684
 None
PAQ  A 471 ( 4.4A)
PAQ  A 471 ( 3.3A)
PAQ  A 471 ( 3.6A)
PAQ  A 471 ( 4.5A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.66A 1ivvA-2c11A:
39.3		 1ivvA-2c11A:
25.36
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.
2c9k PESTICIDAL CRYSTAL
PROTEIN CRY4AA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 THR A 261
TYR A 260
VAL A 252
HIS A 217
HIS A 178
 None
 1.43A 1ivvA-2c9kA:
undetectable		 1ivvA-2c9kA:
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.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		5 TYR A 136
ASP A 222
TYR A 223
HIS A 103
HIS A 101
 None
None
None
ZN  A 801 (-3.1A)
ZN  A 801 (-3.2A)
 1.43A 1ivvA-2gmnA:
undetectable		 1ivvA-2gmnA:
17.35
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.
2o5v DNA REPLICATION AND
REPAIR PROTEIN RECF

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		5 THR A 226
ASP A 230
TYR A 227
VAL A 245
HIS A 249
 None
 1.31A 1ivvA-2o5vA:
undetectable		 1ivvA-2o5vA:
21.44
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.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		7 TYR A 371
THR A 466
ASP A 471
TYR A 472
HIS A 519
HIS A 521
HIS A 683
 None
TPQ  A 470 ( 4.0A)
TPQ  A 470 (-3.6A)
CLU  A 808 (-3.4A)
CU  A 804 (-3.3A)
CU  A 804 ( 3.3A)
CU  A 804 (-3.2A)
 0.65A 1ivvA-2pncA:
35.8		 1ivvA-2pncA:
24.29
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.
2zam VACUOLAR PROTEIN
SORTING-ASSOCIATING
PROTEIN 4B

(Mus musculus) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 THR A 322
ASN A 319
ASP A 325
VAL A 409
MET A 414
 None
 1.46A 1ivvA-2zamA:
undetectable		 1ivvA-2zamA:
21.64
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.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		9 TYR A 359
THR A 457
ASN A 460
ASP A 462
TYR A 463
VAL A 485
HIS A 510
HIS A 512
HIS A 675
 None
TPQ  A 461 ( 3.7A)
TPQ  A 461 ( 3.3A)
TPQ  A 461 ( 3.9A)
TPQ  A 461 ( 4.5A)
TPQ  A 461 ( 4.1A)
CU  A 801 (-3.3A)
CU  A 801 (-3.2A)
CU  A 801 (-3.0A)
 0.45A 1ivvA-3higA:
38.7		 1ivvA-3higA:
25.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3loy COPPER AMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid) 		8 TYR A 288
THR A 382
ASN A 385
TYR A 388
HIS A 436
HIS A 438
HIS A 597
MET A 607
 TPQ  A 386 ( 4.3A)
TPQ  A 386 ( 4.1A)
TPQ  A 386 ( 3.2A)
TPQ  A 386 ( 4.1A)
CU  A 635 (-3.2A)
CU  A 635 (-3.2A)
CU  A 635 (-3.0A)
None
 0.36A 1ivvA-3loyA:
49.2		 1ivvA-3loyA:
32.04
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		8 TYR A 409
THR A 500
ASN A 503
ASP A 505
TYR A 506
HIS A 552
HIS A 554
HIS A 718
 TPQ  A 504 ( 4.7A)
TPQ  A 504 ( 3.5A)
TPQ  A 504 ( 3.7A)
TPQ  A 504 ( 3.8A)
TPQ  A 504 ( 4.2A)
CU  A 901 (-3.2A)
CU  A 901 (-3.2A)
CU  A 901 (-3.1A)
 0.56A 1ivvA-3pgbA:
38.7		 1ivvA-3pgbA:
25.22
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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 THR A 311
VAL A 130
HIS A 301
HIS A  26
MET A 101
 None
None
NAI  A 500 ( 4.9A)
None
None
 1.46A 1ivvA-3q2iA:
undetectable		 1ivvA-3q2iA:
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.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		6 THR A 645
ASP A 647
TYR A 470
VAL A 524
HIS A 538
MET A 494
 None
 1.37A 1ivvA-3vmnA:
undetectable		 1ivvA-3vmnA:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3x3y PHENYLETHYLAMINE
OXIDASE

(Arthrobacter
globiformis) 		PF01179
(Cu_amine_oxid)
PF02728
(Cu_amine_oxidN3) 		6 THR A 377
TYR A 384
HIS A 431
HIS A 433
HIS A 592
MET A 602
 None
TYQ  A 382 ( 4.2A)
CU  A 701 (-3.2A)
CU  A 701 (-3.2A)
CU  A 701 (-3.0A)
TYQ  A 382 ( 2.9A)
 1.39A 1ivvA-3x3yA:
62.3		 1ivvA-3x3yA:
99.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3x3y PHENYLETHYLAMINE
OXIDASE

(Arthrobacter
globiformis) 		PF01179
(Cu_amine_oxid)
PF02728
(Cu_amine_oxidN3) 		10 TYR A 284
THR A 378
ASN A 381
ASP A 383
TYR A 384
VAL A 406
HIS A 431
HIS A 433
HIS A 592
MET A 602
 None
TYQ  A 382 ( 4.0A)
TYQ  A 382 ( 3.4A)
TYQ  A 382 ( 3.5A)
TYQ  A 382 ( 4.2A)
TYQ  A 382 ( 3.9A)
CU  A 701 (-3.2A)
CU  A 701 (-3.2A)
CU  A 701 (-3.0A)
TYQ  A 382 ( 2.9A)
 0.26A 1ivvA-3x3yA:
62.3		 1ivvA-3x3yA:
99.84
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.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		5 ASP A  77
VAL A  83
HIS A  26
HIS A  28
HIS A  93
 None
 1.40A 1ivvA-4dgqA:
undetectable		 1ivvA-4dgqA:
17.97
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.
4m0v EXONUCLEASE SUBUNIT
SBCD

(Escherichia
coli) 		PF00149
(Metallophos)
PF12320
(SbcD_C) 		5 THR A  52
ASP A  51
VAL A 196
HIS A 222
HIS A 184
 None
None
None
MN  A 403 (-3.3A)
MN  A 403 (-3.6A)
 1.41A 1ivvA-4m0vA:
undetectable		 1ivvA-4m0vA:
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.
4w87 XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		5 TYR A 316
THR A 112
ASN A 108
HIS A 314
HIS A 291
 None
 1.30A 1ivvA-4w87A:
undetectable		 1ivvA-4w87A:
16.28
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 THR A 343
ASN A 266
TYR A 344
HIS A  93
HIS A  89
 None
AHR  A 901 (-3.7A)
None
None
None
 1.35A 1ivvA-5opjA:
undetectable		 1ivvA-5opjA:
7.46
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.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		5 TYR A 187
THR A  57
ASN A 144
HIS A 221
HIS A 195
 None
None
None
FE  A 403 (-3.3A)
PO4  A 404 (-3.8A)
 1.46A 1ivvA-5uq6A:
undetectable		 1ivvA-5uq6A:
17.63
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.
5y00 GREEN FLUORESCENT
PROTEIN

(Olindias) 		no annotation 5 TYR A 115
THR A 100
ASP A 183
VAL A 186
HIS A  74
 CRQ  A  70 ( 4.4A)
None
None
None
CRQ  A  70 ( 4.1A)
 1.30A 1ivvA-5y00A:
undetectable		 1ivvA-5y00A:
6.93