SIMILAR PATTERNS OF AMINO ACIDS FOR 2OK6_H_BEZH2001

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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PHE A 566
GLN A 612
GLY A 428
ASN A 605
PHE A 562
 None
 1.34A 2ok6A-1kcwA:
0.3
2ok6H-1kcwA:
0.0		 2ok6A-1kcwA:
16.32
2ok6H-1kcwA:
8.59
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.
1wuz PCDHA4 PROTEIN

(Mus musculus) 		PF08266
(Cadherin_2) 		5 ASN A  55
GLN A  54
GLY A  56
ASN A  52
PHE A  59
 None
 1.49A 2ok6A-1wuzA:
0.0
2ok6H-1wuzA:
0.0		 2ok6A-1wuzA:
16.87
2ok6H-1wuzA:
19.57
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.
1z6u NP95-LIKE RING
FINGER PROTEIN
ISOFORM B

(Homo sapiens) 		PF00097
(zf-C3HC4) 		5 PHE A 731
LEU A 727
PHE A 723
LEU A 790
ASP A 703
 None
 1.38A 2ok6A-1z6uA:
undetectable
2ok6H-1z6uA:
undetectable		 2ok6A-1z6uA:
17.60
2ok6H-1z6uA:
22.35
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.
2bzw APOPTOSIS REGULATOR
BCL-X
BCL2-ANTAGONIST OF
CELL DEATH

(Mus musculus;
Mus musculus) 		PF00452
(Bcl-2)
PF02180
(BH4)
PF10514
(Bcl-2_BAD) 		5 PHE A 146
GLN A 125
GLY B 106
LEU B 109
PHE A 123
 None
 1.36A 2ok6A-2bzwA:
undetectable
2ok6H-2bzwA:
undetectable		 2ok6A-2bzwA:
19.73
2ok6H-2bzwA:
17.57
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.
2ei0 1,2-DIHYDROXYNAPHTHA
LENE DIOXYGENASE

(Pseudomonas sp.
C18) 		PF00903
(Glyoxalase) 		5 PHE A 255
GLN A 231
GLY A 227
LEU A 226
PHE A 233
 None
 1.19A 2ok6A-2ei0A:
undetectable
2ok6H-2ei0A:
undetectable		 2ok6A-2ei0A:
22.46
2ok6H-2ei0A:
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.
2g2b ALLOGRAFT
INFLAMMATORY FACTOR
1

(Homo sapiens) 		no annotation 5 PHE A  53
LEU A 110
PHE A  34
GLN A  33
LEU A  27
 None
 1.33A 2ok6A-2g2bA:
undetectable
2ok6H-2g2bA:
undetectable		 2ok6A-2g2bA:
19.66
2ok6H-2g2bA:
15.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i0s AROMATIC AMINE
DEHYDROGENASE

(Alcaligenes
faecalis) 		PF06433
(Me-amine-dh_H) 		7 PHE A  97
LEU A 100
PHE A 123
ASN A 124
GLN A 177
GLY A 178
LEU A 179
 None
 0.08A 2ok6A-2i0sA:
65.2
2ok6H-2i0sA:
undetectable		 2ok6A-2i0sA:
100.00
2ok6H-2i0sA:
15.30
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.
2o20 CATABOLITE CONTROL
PROTEIN A

(Lactococcus
lactis) 		PF00532
(Peripla_BP_1) 		5 GLN A 227
GLY A 228
LEU A 254
ASN A 222
PHE A 219
 None
None
None
None
SO4  A2007 (-4.8A)
 1.40A 2ok6A-2o20A:
undetectable
2ok6H-2o20A:
undetectable		 2ok6A-2o20A:
25.00
2ok6H-2o20A:
18.81
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.
2o3g PUTATIVE PROTEIN

(Neisseria
meningitidis) 		PF03471
(CorC_HlyC) 		5 PHE A 236
LEU A 214
PHE A 208
GLN A 202
LEU A 193
 None
 1.36A 2ok6A-2o3gA:
1.3
2ok6H-2o3gA:
undetectable		 2ok6A-2o3gA:
13.93
2ok6H-2o3gA:
17.19
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.
2p5t PEZT

(Streptococcus
pneumoniae) 		PF06414
(Zeta_toxin) 		5 LEU B 224
PHE B 228
GLN B  40
GLY B  39
LEU B 118
 None
 1.45A 2ok6A-2p5tB:
undetectable
2ok6H-2p5tB:
undetectable		 2ok6A-2p5tB:
23.48
2ok6H-2p5tB:
20.00
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 PHE A 519
LEU A 530
GLN A 546
GLY A 542
LEU A 541
 None
 1.33A 2ok6A-2ycbA:
0.6
2ok6H-2ycbA:
undetectable		 2ok6A-2ycbA:
20.71
2ok6H-2ycbA:
10.73
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 GLN A 126
GLY A 124
LEU A  74
ASP A 202
ASN A 125
 None
ACA  A 601 ( 3.9A)
None
ACA  A 601 ( 4.7A)
ACA  A 601 ( 3.7A)
 1.12A 2ok6A-3a2qA:
undetectable
2ok6H-3a2qA:
undetectable		 2ok6A-3a2qA:
22.24
2ok6H-3a2qA:
15.73
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.
3bxj RAS
GTPASE-ACTIVATING
PROTEIN SYNGAP

(Rattus
norvegicus) 		PF00168
(C2)
PF00616
(RasGAP) 		5 LEU A 638
ASN A 635
GLY A 632
LEU A 631
PHE A 637
 None
 1.29A 2ok6A-3bxjA:
undetectable
2ok6H-3bxjA:
undetectable		 2ok6A-3bxjA:
21.25
2ok6H-3bxjA:
12.69
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.
3h75 PERIPLASMIC
SUGAR-BINDING DOMAIN
PROTEIN

(Pseudomonas
protegens) 		PF13407
(Peripla_BP_4) 		5 PHE A 299
GLN A 348
GLY A 346
LEU A 342
PHE A  73
 None
 1.38A 2ok6A-3h75A:
undetectable
2ok6H-3h75A:
undetectable		 2ok6A-3h75A:
22.07
2ok6H-3h75A:
15.20
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.
3ics COENZYME A-DISULFIDE
REDUCTASE

(Bacillus
anthracis) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 350
GLN A 394
GLY A 392
ASP A 290
ASN A 346
 None
 1.47A 2ok6A-3icsA:
undetectable
2ok6H-3icsA:
undetectable		 2ok6A-3icsA:
20.90
2ok6H-3icsA:
10.68
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.
3k5j SUPPRESSOR OF FUSED
FAMILY PROTEIN

(Neisseria
gonorrhoeae) 		PF05076
(SUFU) 		5 LEU A  34
GLN A  60
GLY A  59
LEU A  62
PHE A  37
 None
SO4  A 183 (-3.1A)
None
None
None
 1.34A 2ok6A-3k5jA:
2.5
2ok6H-3k5jA:
undetectable		 2ok6A-3k5jA:
18.64
2ok6H-3k5jA:
16.84
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.
3m9g PROTEIN KINASE

(Staphylococcus
aureus) 		PF03793
(PASTA) 		5 PHE A 536
LEU A 531
PHE A 519
GLY A 560
ASP A 564
 None
 1.40A 2ok6A-3m9gA:
undetectable
2ok6H-3m9gA:
undetectable		 2ok6A-3m9gA:
21.47
2ok6H-3m9gA:
16.92
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.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 PHE A 275
LEU A 277
ASN A  29
GLN A 373
LEU A 377
 None
 1.35A 2ok6A-3ndaA:
undetectable
2ok6H-3ndaA:
undetectable		 2ok6A-3ndaA:
20.63
2ok6H-3ndaA:
15.43
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		5 LEU A 272
GLN A 316
GLY A 318
ASN A 320
PHE A 323
 None
 1.46A 2ok6A-3zmrA:
undetectable
2ok6H-3zmrA:
undetectable		 2ok6A-3zmrA:
23.49
2ok6H-3zmrA:
14.96
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 LEU A 484
ASN A 475
GLN A 479
GLY A 473
LEU A 472
 None
 1.38A 2ok6A-4az7A:
undetectable
2ok6H-4az7A:
undetectable		 2ok6A-4az7A:
22.72
2ok6H-4az7A:
14.22
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.
4bv4 PROTEIN TOLL,
VARIABLE LYMPHOCYTE
RECEPTOR B CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 PHE R 241
LEU R 268
GLY R 249
LEU R 226
PHE R 265
 None
 1.28A 2ok6A-4bv4R:
0.5
2ok6H-4bv4R:
undetectable		 2ok6A-4bv4R:
21.16
2ok6H-4bv4R:
14.42
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius) 		PF03512
(Glyco_hydro_52) 		5 PHE A 136
LEU A 168
GLY A  69
LEU A  82
PHE A 183
 None
 1.19A 2ok6A-4c1oA:
0.5
2ok6H-4c1oA:
undetectable		 2ok6A-4c1oA:
18.92
2ok6H-4c1oA:
12.29
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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 PHE A 257
PHE A 362
GLN A 154
GLY A 156
PHE A 150
 PHB  A 406 (-3.8A)
None
None
None
None
 1.27A 2ok6A-4evqA:
undetectable
2ok6H-4evqA:
undetectable		 2ok6A-4evqA:
22.52
2ok6H-4evqA:
15.51
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.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 PHE A 241
LEU A 268
GLY A 249
LEU A 226
PHE A 265
 None
 1.24A 2ok6A-4lxrA:
1.1
2ok6H-4lxrA:
undetectable		 2ok6A-4lxrA:
18.19
2ok6H-4lxrA:
9.49
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.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 5 PHE A1968
GLY A1998
LEU A2001
ASN A1661
PHE A1880
 None
 1.47A 2ok6A-4uclA:
undetectable
2ok6H-4uclA:
undetectable		 2ok6A-4uclA:
22.27
2ok6H-4uclA:
15.18
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 PHE A 842
GLN A 108
GLY A 109
LEU A 113
PHE A 161
 None
 1.29A 2ok6A-5a22A:
undetectable
2ok6H-5a22A:
undetectable		 2ok6A-5a22A:
10.54
2ok6H-5a22A:
5.06
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.
5c70 GLUCURONIDASE

(Aspergillus
oryzae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 LEU A 119
ASN A 100
GLY A  99
ASN A  98
PHE A 126
 None
 1.37A 2ok6A-5c70A:
undetectable
2ok6H-5c70A:
undetectable		 2ok6A-5c70A:
20.65
2ok6H-5c70A:
12.69
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.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 PHE A 177
GLN A 197
GLY A 198
ASN A 193
PHE A 231
 None
None
None
KCX  A 192 ( 4.9A)
None
 1.33A 2ok6A-5hqlA:
undetectable
2ok6H-5hqlA:
undetectable		 2ok6A-5hqlA:
22.52
2ok6H-5hqlA:
13.53
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.
5jm7 AEROBACTIN SYNTHASE
IUCA

(Klebsiella
pneumoniae) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 LEU A  38
PHE A  63
GLN A  15
LEU A  21
ASN A  19
 None
 1.48A 2ok6A-5jm7A:
1.9
2ok6H-5jm7A:
undetectable		 2ok6A-5jm7A:
21.02
2ok6H-5jm7A:
11.94
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		5 PHE A 364
LEU A 359
GLY A 406
ASN A 438
PHE A 465
 None
 1.31A 2ok6A-5l44A:
1.5
2ok6H-5l44A:
undetectable		 2ok6A-5l44A:
21.61
2ok6H-5l44A:
11.27
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.
5v8f ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Saccharomyces
cerevisiae) 		no annotation 5 LEU C 432
ASN C 278
GLN C 282
GLY C 277
LEU C 317
 None
 1.48A 2ok6A-5v8fC:
undetectable
2ok6H-5v8fC:
undetectable		 2ok6A-5v8fC:
19.75
2ok6H-5v8fC:
11.11
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.
6glc E3 UBIQUITIN-PROTEIN
LIGASE PARKIN

(Homo sapiens) 		no annotation 5 PHE A 277
LEU A 272
GLN A 316
GLY A 319
PHE A 304
 None
 1.48A 2ok6A-6glcA:
undetectable
2ok6H-6glcA:
undetectable		 2ok6A-6glcA:
undetectable
2ok6H-6glcA:
undetectable