SIMILAR PATTERNS OF AMINO ACIDS FOR 2OK6_D_BEZD2002_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
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 2ok6B-1z6uA:
undetectable
2ok6D-1z6uA:
undetectable		 2ok6B-1z6uA:
17.60
2ok6D-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.
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
 1.34A 2ok6B-2g2bA:
undetectable
2ok6D-2g2bA:
undetectable		 2ok6B-2g2bA:
19.66
2ok6D-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
 0.09A 2ok6B-2i0sA:
63.8
2ok6D-2i0sA:
undetectable		 2ok6B-2i0sA:
100.00
2ok6D-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.
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
 1.37A 2ok6B-2o3gA:
1.3
2ok6D-2o3gA:
0.0		 2ok6B-2o3gA:
13.93
2ok6D-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
 1.46A 2ok6B-2p5tB:
0.0
2ok6D-2p5tB:
0.0		 2ok6B-2p5tB:
23.48
2ok6D-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 2ok6B-2ycbA:
0.0
2ok6D-2ycbA:
0.0		 2ok6B-2ycbA:
20.71
2ok6D-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 2ok6B-3a2qA:
0.0
2ok6D-3a2qA:
0.0		 2ok6B-3a2qA:
22.24
2ok6D-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.
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
 1.48A 2ok6B-3icsA:
0.7
2ok6D-3icsA:
0.0		 2ok6B-3icsA:
20.90
2ok6D-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.
3m9g PROTEIN KINASE

(Staphylococcus
aureus) 		PF03793
(PASTA) 		5 PHE A 536
LEU A 531
PHE A 519
GLY A 560
ASP A 564
 None
 1.39A 2ok6B-3m9gA:
0.0
2ok6D-3m9gA:
0.0		 2ok6B-3m9gA:
21.47
2ok6D-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
 1.36A 2ok6B-3ndaA:
0.0
2ok6D-3ndaA:
0.0		 2ok6B-3ndaA:
20.63
2ok6D-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.
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
 1.37A 2ok6B-4az7A:
0.0
2ok6D-4az7A:
0.0		 2ok6B-4az7A:
22.72
2ok6D-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.
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 2ok6B-5jm7A:
3.1
2ok6D-5jm7A:
undetectable		 2ok6B-5jm7A:
21.02
2ok6D-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.
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 2ok6B-5v8fC:
undetectable
2ok6D-5v8fC:
undetectable		 2ok6B-5v8fC:
19.75
2ok6D-5v8fC:
11.11