SIMILAR PATTERNS OF AMINO ACIDS FOR 6B89_A_NOVA403_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.
1gjj LAP2

(Homo sapiens) 		PF03020
(LEM)
PF08198
(Thymopoietin) 		5 LEU A  20
TYR A  41
PRO A   8
GLU A 114
SER A   9
 None
 1.43A 6b89A-1gjjA:
undetectable		 6b89A-1gjjA:
19.11
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 257
HIS A 244
ALA A 247
PRO A 217
SER A 220
 FAD  A 800 (-4.3A)
CL  A 541 (-4.8A)
None
None
None
 1.50A 6b89A-1knrA:
undetectable		 6b89A-1knrA:
10.35
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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 LEU A 414
ALA A 381
TYR A 373
PRO A 118
GLU A 122
 None
 1.04A 6b89A-1up4A:
0.0		 6b89A-1up4A:
12.62
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.
1y25 PROBABLE THIOL
PEROXIDASE

(Mycobacterium
tuberculosis) 		PF08534
(Redoxin) 		5 LEU A  48
ALA A 159
GLU A  96
VAL A 147
ARG A 130
 None
None
None
None
ACT  A1200 (-3.1A)
 1.33A 6b89A-1y25A:
0.0		 6b89A-1y25A:
22.30
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		5 LEU A  40
HIS A  38
TYR A 378
PHE A 253
VAL A 283
 None
 1.34A 6b89A-2gduA:
1.0		 6b89A-2gduA:
10.59
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.
2p0l LIPOATE-PROTEIN
LIGASE A

(Streptococcus
agalactiae) 		PF03099
(BPL_LplA_LipB) 		5 LEU A  67
ALA A  73
PRO A 211
GLU A 143
VAL A  58
 None
 1.47A 6b89A-2p0lA:
0.0		 6b89A-2p0lA:
15.19
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.
2p0l LIPOATE-PROTEIN
LIGASE A

(Streptococcus
agalactiae) 		PF03099
(BPL_LplA_LipB) 		5 LEU A  67
ALA A  73
PRO A 211
GLU A 145
VAL A  58
 None
 1.16A 6b89A-2p0lA:
0.0		 6b89A-2p0lA:
15.19
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.
2pef SERINE PROTEASE
INHIBITOR

(Caldanaerobacter
subterraneus) 		PF00079
(Serpin) 		5 LEU A  82
ALA A 375
PRO A  85
SER A  67
PHE A 297
 None
 1.21A 6b89A-2pefA:
undetectable		 6b89A-2pefA:
13.94
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 LEU A 202
ALA A 250
TYR A 265
PRO A 267
VAL A 327
 None
 1.13A 6b89A-2vcaA:
0.6		 6b89A-2vcaA:
7.66
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.
3cuc PROTEIN OF UNKNOWN
FUNCTION WITH A FIC
DOMAIN

(Bacteroides
thetaiotaomicron) 		PF02661
(Fic) 		5 HIS A 185
ALA A 182
TYR A 260
GLU A 223
PHE A  35
 None
 1.48A 6b89A-3cucA:
0.0		 6b89A-3cucA:
14.69
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.
3o2k BREVIANAMIDE F
PRENYLTRANSFERASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		5 LEU A  96
ALA A 434
PRO A 362
SER A 298
PHE A 280
 QRP  A 502 (-4.3A)
None
None
None
QRP  A 502 (-4.3A)
 1.48A 6b89A-3o2kA:
0.0		 6b89A-3o2kA:
10.89
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.
3o6p PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Enterococcus
faecalis) 		PF00496
(SBP_bac_5) 		5 LEU A 308
ALA A 449
GLU A 374
SER A 329
VAL A 428
 None
 1.27A 6b89A-3o6pA:
undetectable		 6b89A-3o6pA:
18.98
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.
3vla EDGP

(Daucus carota) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 LEU A 143
ALA A 139
SER A 225
VAL A  95
ARG A  44
 None
 1.39A 6b89A-3vlaA:
undetectable		 6b89A-3vlaA:
13.04
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.
4ev1 ANABENA TIC22

(Anabaena sp.) 		PF04278
(Tic22) 		5 ALA A  77
TYR A  47
GLU A 247
SER A 242
VAL A 163
 None
None
None
EDO  A 306 ( 2.4A)
None
 1.45A 6b89A-4ev1A:
undetectable		 6b89A-4ev1A:
17.21
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.
4hrt GLOBIN-2 A CHAIN

(Scapharca
inaequivalvis) 		PF00042
(Globin) 		5 LEU A  18
ALA A 137
GLU A  95
PHE A 111
VAL A 115
 None
None
None
HEM  A 201 (-3.8A)
None
 1.31A 6b89A-4hrtA:
undetectable		 6b89A-4hrtA:
20.26
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.
4i6f SERINE/THREONINE-PRO
TEIN KINASE PLK2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 303
ALA A 307
TYR A 271
PRO A 279
GLU A 281
 None
 1.49A 6b89A-4i6fA:
undetectable		 6b89A-4i6fA:
14.24
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.
4jqr HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF14717
(DUF4465) 		5 ALA A 185
PRO A 221
SER A 117
PHE A  85
VAL A 217
 None
 1.40A 6b89A-4jqrA:
undetectable		 6b89A-4jqrA:
16.37
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 LEU A 226
ALA A 244
PRO A 213
GLU A 187
SER A 190
 None
 1.50A 6b89A-4lxrA:
undetectable		 6b89A-4lxrA:
7.12
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.
4xdi CHLAMYDOMONAS
REINHARDTII THB1

(Chlamydomonas
reinhardtii) 		PF01152
(Bac_globin) 		5 LEU A  73
ALA A 122
GLU A  83
PHE A  42
VAL A  94
 HEM  A 201 (-4.6A)
HEM  A 201 (-3.3A)
None
HEM  A 201 (-3.8A)
HEM  A 201 (-4.2A)
 1.12A 6b89A-4xdiA:
0.9		 6b89A-4xdiA:
23.44
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.
5b5r GASDERMIN-A3

(Mus musculus) 		PF04598
(Gasdermin) 		5 LEU A 352
ALA A 440
GLU A 365
SER A 363
VAL A 376
 None
 1.46A 6b89A-5b5rA:
undetectable		 6b89A-5b5rA:
9.93
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.
5exr DNA POLYMERASE ALPHA
SUBUNIT B

(Homo sapiens) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		5 ALA D 529
TYR D 509
PRO D 514
GLU D 516
VAL D 219
 None
 1.29A 6b89A-5exrD:
undetectable		 6b89A-5exrD:
10.00
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.
5h71 ALGQ2

(Sphingomonas
sp.) 		PF01547
(SBP_bac_1) 		5 ALA A  88
TYR A 125
GLU A 114
PHE A 333
VAL A  71
 None
 1.39A 6b89A-5h71A:
undetectable		 6b89A-5h71A:
12.38
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.
5igp MACROLIDE
2'-PHOSPHOTRANSFERAS
E

(Escherichia
coli) 		PF01636
(APH) 		5 LEU A 290
ALA A 293
GLU A  58
VAL A 166
ARG A 165
 None
 1.03A 6b89A-5igpA:
undetectable		 6b89A-5igpA:
15.02
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.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE

(Aspergillus
flavus) 		PF00743
(FMO-like) 		5 PRO A 477
SER A 427
PHE A 429
VAL A 408
ARG A 413
 None
 1.50A 6b89A-5j7xA:
undetectable		 6b89A-5j7xA:
9.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l75 LIPOPOLYSACCHARIDE
ABC TRANSPORTER,
ATP-BINDING PROTEIN
LPTB

(Klebsiella
pneumoniae) 		PF00005
(ABC_tran)
PF12399
(BCA_ABC_TP_C) 		8 LEU A  72
ALA A  76
TYR A  82
PRO A  84
SER A  88
PHE A  90
VAL A 102
ARG A 150
 None
 1.09A 6b89A-5l75A:
32.2		 6b89A-5l75A:
98.75
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.
5x03 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2) 		5 LEU A 265
PRO A 246
SER A 247
VAL A 168
ARG A 166
 None
 1.19A 6b89A-5x03A:
0.0		 6b89A-5x03A:
12.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x5y PROBABLE ATP-BINDING
COMPONENT OF ABC
TRANSPORTER

(Pseudomonas
aeruginosa) 		no annotation 5 ALA B  76
TYR B  82
PRO B  84
PHE B  90
ARG B 150
 None
 0.86A 6b89A-5x5yB:
31.7		 6b89A-5x5yB:
63.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x5y PROBABLE ATP-BINDING
COMPONENT OF ABC
TRANSPORTER

(Pseudomonas
aeruginosa) 		no annotation 5 ALA B  76
TYR B  82
PRO B  84
SER B  88
PHE B  90
 None
 0.91A 6b89A-5x5yB:
31.7		 6b89A-5x5yB:
63.75
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 5 LEU A 655
ALA A 562
PRO A 674
SER A 539
VAL A 532
 None
 1.32A 6b89A-6cg0A:
undetectable		 6b89A-6cg0A:
13.10