SIMILAR PATTERNS OF AMINO ACIDS FOR 1RR8_A_TTCA100_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.
1flc HAEMAGGLUTININ-ESTER
ASE-FUSION
GLYCOPROTEIN

(Influenza C
virus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase)
PF08720
(Hema_stalk) 		4 GLU B  95
LYS A 395
ASP B  73
THR B  81
 None
 1.32A 1rr8C-1flcB:
0.0		 1rr8C-1flcB:
15.74
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 GLU A 547
ARG A 540
ASP A 320
THR A 328
 None
None
CA  A 600 (-2.8A)
None
 1.22A 1rr8C-1ot5A:
0.0		 1rr8C-1ot5A:
22.03
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 GLU A 904
ARG A 865
ASP A 862
THR A 836
 None
 1.18A 1rr8C-1vrqA:
0.0		 1rr8C-1vrqA:
18.44
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.
1w99 PESTICIDIAL CRYSTAL
PROTEIN CRY4BA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 GLU A 569
ARG A 271
ASP A 268
THR A 217
 None
 1.47A 1rr8C-1w99A:
0.0		 1rr8C-1w99A:
21.79
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 GLU A 425
ARG A 534
ASP A 465
THR A 538
 ZN  A1752 (-2.5A)
None
None
None
 1.06A 1rr8C-1z8lA:
0.0		 1rr8C-1z8lA:
22.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b9s DNA TOPOISOMERASE
I-LIKE PROTEIN
TOPOISOMERASE I-LIKE
PROTEIN

(Leishmania
donovani) 		PF01028
(Topoisom_I)
PF02919
(Topoisom_I_N)
PF14370
(Topo_C_assoc) 		4 GLU A 182
LYS A 352
ASP A 353
THR B 217
 None
VO4  B 301 ( 3.9A)
None
None
 1.24A 1rr8C-2b9sA:
36.4		 1rr8C-2b9sA:
50.56
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		4 GLU A 905
ARG A 866
ASP A 863
THR A 837
 None
 1.15A 1rr8C-2gahA:
0.0		 1rr8C-2gahA:
18.74
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.
2lav VACCINIA-RELATED
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A  73
LYS A 179
ASP A 177
THR A 224
 None
 1.46A 1rr8C-2lavA:
0.0		 1rr8C-2lavA:
21.61
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.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 GLU A 531
ARG A 515
ASP A 500
THR A 418
 None
PRX  A 998 (-4.0A)
PRX  A 998 (-2.7A)
None
 1.24A 1rr8C-2p2mA:
undetectable		 1rr8C-2p2mA:
21.92
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.
2r5v PCZA361.1

(Amycolatopsis
orientalis) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		4 GLU A 297
ARG A 324
ASP A 160
THR A 214
 None
None
None
HHH  A4114 (-3.1A)
 1.41A 1rr8C-2r5vA:
undetectable		 1rr8C-2r5vA:
18.61
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLU A 477
ARG A 461
ASP A 446
THR A 366
 None
 1.25A 1rr8C-2wd9A:
undetectable		 1rr8C-2wd9A:
21.70
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.
3dd6 RIBONUCLEASE PH

(Bacillus
anthracis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 GLU A  71
ARG A  12
ASP A 175
THR A 127
 None
 1.49A 1rr8C-3dd6A:
undetectable		 1rr8C-3dd6A:
18.13
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.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA
RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		4 GLU A 207
ARG A 202
ASP D 337
THR A 168
 None
 1.46A 1rr8C-3dzuA:
undetectable		 1rr8C-3dzuA:
20.71
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 GLU A 889
ARG A 603
ASP A 183
THR A 663
 None
 1.43A 1rr8C-3egwA:
undetectable		 1rr8C-3egwA:
18.16
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.
3etc AMP-BINDING PROTEIN

(Methanosarcina
acetivorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLU A 466
ARG A 450
ASP A 435
THR A 355
 NO3  A1001 (-4.4A)
None
None
None
 1.36A 1rr8C-3etcA:
undetectable		 1rr8C-3etcA:
21.27
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 GLU A 415
ARG A 524
ASP A 455
THR A 528
 ZN  A1751 ( 1.9A)
BIX  A   1 ( 3.1A)
None
None
 1.13A 1rr8C-3fedA:
undetectable		 1rr8C-3fedA:
24.14
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.
3lad DIHYDROLIPOAMIDE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLU A  33
ARG A  99
LYS A  94
ASP A  95
 FAD  A 480 (-2.8A)
None
None
None
 1.44A 1rr8C-3ladA:
undetectable		 1rr8C-3ladA:
23.06
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.
3o82 PEPTIDE ARYLATION
ENZYME

(Acinetobacter
baumannii) 		PF00501
(AMP-binding) 		4 GLU A  14
ARG A  20
ASP A  27
THR A 210
 None
 1.29A 1rr8C-3o82A:
undetectable		 1rr8C-3o82A:
20.97
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		4 GLU A 410
ARG A 271
ASP A 294
THR A 298
 None
SO4  A 701 (-3.4A)
None
None
 1.42A 1rr8C-3vueA:
undetectable		 1rr8C-3vueA:
21.75
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.
3wi5 MAJOR OUTER MEMBRANE
PROTEIN P.IB

(Neisseria
meningitidis) 		PF00267
(Porin_1) 		4 GLU A 123
ARG A 130
LYS A  88
ASP A 132
 None
 1.32A 1rr8C-3wi5A:
undetectable		 1rr8C-3wi5A:
20.61
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		4 GLU A 533
ARG A 500
LYS A  18
ASP A  19
 None
 1.35A 1rr8C-4hhrA:
undetectable		 1rr8C-4hhrA:
21.00
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.
4hzh PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		4 GLU A 226
ARG A 418
ASP A 417
THR A 186
 None
 1.31A 1rr8C-4hzhA:
undetectable		 1rr8C-4hzhA:
20.42
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.
4hzh PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		4 GLU A 250
ARG A 418
ASP A 417
THR A 186
 None
 1.21A 1rr8C-4hzhA:
undetectable		 1rr8C-4hzhA:
20.42
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.
4mz1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Campylobacter
jejuni) 		PF00478
(IMPDH) 		4 GLU A 465
LYS A 338
ASP A 342
THR A   9
 None
 1.23A 1rr8C-4mz1A:
undetectable		 1rr8C-4mz1A:
20.21
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		4 GLU A 679
ARG A 293
ASP A 298
THR A 663
 None
 1.08A 1rr8C-4rasA:
undetectable		 1rr8C-4rasA:
21.12
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 GLU A 642
ARG A 728
ASP A 729
THR A 764
 None
 1.20A 1rr8C-4xmvA:
1.7		 1rr8C-4xmvA:
21.01
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.
5by8 RPF2
RRS1

(Aspergillus
nidulans) 		PF04427
(Brix)
PF04939
(RRS1) 		4 GLU A 241
ARG A 105
ASP A 170
THR B  93
 None
 1.31A 1rr8C-5by8A:
undetectable		 1rr8C-5by8A:
18.15
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.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		4 GLU A 322
ARG A  76
ASP A 118
THR A 203
 None
 1.40A 1rr8C-5d8wA:
undetectable		 1rr8C-5d8wA:
17.48
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.
5jtv UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF00443
(UCH)
PF14533
(USP7_C2) 		4 GLU A 317
ARG A 325
LYS A 327
ASP A 346
 None
 1.49A 1rr8C-5jtvA:
undetectable		 1rr8C-5jtvA:
21.15
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.
5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2

(Homo sapiens) 		no annotation 4 GLU A 575
ARG A 554
ASP A 517
THR A 473
 None
 1.16A 1rr8C-5n7fA:
undetectable		 1rr8C-5n7fA:
21.83
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 4 ARG B 765
LYS B 349
ASP B 317
THR B 321
 None
 1.47A 1rr8C-5nd1B:
undetectable		 1rr8C-5nd1B:
10.28
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.
5vho 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT
10
26S PROTEASOME
REGULATORY SUBUNIT
6B

(Homo sapiens) 		PF00004
(AAA)
PF00023
(Ank)
PF12796
(Ank_2) 		4 GLU G 187
ARG D 338
LYS D 369
ASP D 368
 None
 1.37A 1rr8C-5vhoG:
undetectable		 1rr8C-5vhoG:
16.96
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 4 GLU A 385
ARG A 374
LYS A 608
ASP A 605
 None
 1.45A 1rr8C-5vopA:
undetectable		 1rr8C-5vopA:
9.22
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 4 GLU A 441
ARG A 335
LYS A 329
ASP A 332
 None
 1.32A 1rr8C-5xpgA:
undetectable		 1rr8C-5xpgA:
9.40