SIMILAR PATTERNS OF AMINO ACIDS FOR 4EAH_A_ACTA1002

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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 ARG A 422
THR A 456
GLN A 440
THR A 459
 None
 1.31A 4eahA-1l5jA:
3.3
4eahE-1l5jA:
3.3
4eahG-1l5jA:
0.0		 4eahA-1l5jA:
19.88
4eahE-1l5jA:
19.88
4eahG-1l5jA:
17.74
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.
2h3g BIOSYNTHETIC PROTEIN

(Bacillus
anthracis) 		PF03309
(Pan_kinase) 		4 ARG X  32
THR X  10
GLU X  29
THR X  30
 None
 1.39A 4eahA-2h3gX:
0.0
4eahE-2h3gX:
0.0
4eahG-2h3gX:
11.9		 4eahA-2h3gX:
18.07
4eahE-2h3gX:
18.07
4eahG-2h3gX:
23.37
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.
2j6b AFV3-109

(Acidianus
filamentous
virus 1) 		PF08960
(DUF1874) 		4 THR A  93
GLN A  46
GLU A  50
THR A  48
 None
 0.91A 4eahA-2j6bA:
0.0
4eahE-2j6bA:
undetectable
4eahG-2j6bA:
0.0		 4eahA-2j6bA:
15.66
4eahE-2j6bA:
15.66
4eahG-2j6bA:
15.41
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.
2jd4 LAMININ SUBUNIT
ALPHA-1

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		4 THR A2797
GLN A2723
GLU A2788
THR A2787
 None
 1.19A 4eahA-2jd4A:
undetectable
4eahE-2jd4A:
undetectable
4eahG-2jd4A:
0.0		 4eahA-2jd4A:
22.10
4eahE-2jd4A:
22.10
4eahG-2jd4A:
23.52
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.
2qq5 DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 1

(Homo sapiens) 		PF00106
(adh_short) 		4 ARG A  21
GLN A  26
GLU A 230
THR A 229
 None
 1.24A 4eahA-2qq5A:
0.0
4eahE-2qq5A:
0.0
4eahG-2qq5A:
3.0		 4eahA-2qq5A:
20.10
4eahE-2qq5A:
20.10
4eahG-2qq5A:
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.
2ypq PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE AROG

(Mycobacterium
tuberculosis) 		PF01474
(DAHP_synth_2) 		4 ARG A 104
THR A 413
GLU A 415
THR A 446
 None
 1.25A 4eahA-2ypqA:
0.0
4eahE-2ypqA:
0.0
4eahG-2ypqA:
0.4		 4eahA-2ypqA:
23.09
4eahE-2ypqA:
23.09
4eahG-2ypqA:
20.66
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases) 		4 ARG A 437
THR A 274
GLN A 430
GLU A 474
 None
 1.50A 4eahA-3ayxA:
0.0
4eahE-3ayxA:
0.0
4eahG-3ayxA:
0.0		 4eahA-3ayxA:
20.92
4eahE-3ayxA:
20.92
4eahG-3ayxA:
20.30
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 ARG A  68
GLN A  65
GLU A  86
THR A  88
 None
 1.28A 4eahA-3cvrA:
2.3
4eahE-3cvrA:
2.3
4eahG-3cvrA:
0.0		 4eahA-3cvrA:
24.35
4eahE-3cvrA:
24.35
4eahG-3cvrA:
20.31
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.
3k3q LLAMA AA1 VHH DOMAIN
BOTULINUM NEUROTOXIN
TYPE A

(Lama glama;
Clostridium
botulinum) 		PF07686
(V-set)
PF01742
(Peptidase_M27) 		4 ARG B 105
THR A 117
GLU A  71
THR A  44
 None
 1.49A 4eahA-3k3qB:
0.0
4eahE-3k3qB:
0.0
4eahG-3k3qB:
undetectable		 4eahA-3k3qB:
20.05
4eahE-3k3qB:
20.05
4eahG-3k3qB:
21.93
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.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 THR A 223
GLN A 326
GLU A 221
THR A 220
 None
CL  A1081 ( 4.8A)
None
None
 1.34A 4eahA-3ldaA:
2.1
4eahE-3ldaA:
2.1
4eahG-3ldaA:
1.4		 4eahA-3ldaA:
23.19
4eahE-3ldaA:
23.19
4eahG-3ldaA:
21.31
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.
3nxl GLUCARATE
DEHYDRATASE

(Burkholderia
lata) 		PF13378
(MR_MLE_C) 		4 ARG A  92
THR A 134
GLN A 340
GLU A 137
 None
 1.49A 4eahA-3nxlA:
0.0
4eahE-3nxlA:
0.0
4eahG-3nxlA:
0.9		 4eahA-3nxlA:
22.33
4eahE-3nxlA:
22.33
4eahG-3nxlA:
21.54
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.
3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		4 THR A 131
GLN A  37
GLU A  62
THR A 104
 None
CIT  A 303 ( 3.9A)
None
None
 1.20A 4eahA-3p6lA:
1.1
4eahE-3p6lA:
0.0
4eahG-3p6lA:
undetectable		 4eahA-3p6lA:
22.01
4eahE-3p6lA:
22.01
4eahG-3p6lA:
20.88
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 THR A1126
GLN A1083
GLU A1124
THR A1080
 GOL  A1908 (-3.7A)
None
None
None
 1.30A 4eahA-3va7A:
undetectable
4eahE-3va7A:
undetectable
4eahG-3va7A:
undetectable		 4eahA-3va7A:
17.21
4eahE-3va7A:
17.21
4eahG-3va7A:
14.95
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.
4aip FE-REGULATED PROTEIN
B

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ARG A 682
THR A 724
GLN A 670
GLU A 678
 None
 1.40A 4eahA-4aipA:
undetectable
4eahE-4aipA:
undetectable
4eahG-4aipA:
undetectable		 4eahA-4aipA:
19.79
4eahE-4aipA:
19.79
4eahG-4aipA:
18.70
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		4 ARG A 443
THR A 717
GLU A 710
THR A 719
 None
 1.31A 4eahA-4areA:
4.0
4eahE-4areA:
4.0
4eahG-4areA:
undetectable		 4eahA-4areA:
19.33
4eahE-4areA:
19.33
4eahG-4areA:
18.62
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.
4fas HYDROXYLAMINE
OXIDOREDUCTASE

(Nitrosomonas
europaea) 		PF13447
(Multi-haem_cyto) 		4 ARG A 327
THR A   4
GLU A 320
THR A 322
 None
 1.44A 4eahA-4fasA:
3.0
4eahE-4fasA:
3.0
4eahG-4fasA:
undetectable		 4eahA-4fasA:
20.18
4eahE-4fasA:
20.18
4eahG-4fasA:
21.57
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.
4lq6 N-ACETYMURAMYL-L-ALA
NINE AMIDASE-RELATED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01520
(Amidase_3) 		4 ARG A  72
THR A  48
GLU A  52
THR A  50
 None
 1.43A 4eahA-4lq6A:
undetectable
4eahE-4lq6A:
undetectable
4eahG-4lq6A:
undetectable		 4eahA-4lq6A:
21.65
4eahE-4lq6A:
21.65
4eahG-4lq6A:
22.75
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.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		4 THR A 475
GLN A 439
GLU A 385
THR A 386
 None
 1.28A 4eahA-4madA:
undetectable
4eahE-4madA:
undetectable
4eahG-4madA:
undetectable		 4eahA-4madA:
22.24
4eahE-4madA:
22.24
4eahG-4madA:
21.11
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.
4ztp HEAVY CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53
LIGHT CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 THR L 177
GLN H 170
GLU L 159
THR L 179
 None
 0.96A 4eahA-4ztpL:
undetectable
4eahE-4ztpL:
undetectable
4eahG-4ztpL:
undetectable		 4eahA-4ztpL:
16.83
4eahE-4ztpL:
16.83
4eahG-4ztpL:
19.95
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		4 ARG A 199
THR A 221
GLN A 134
GLU A 218
 None
 1.28A 4eahA-5do7A:
undetectable
4eahE-5do7A:
undetectable
4eahG-5do7A:
undetectable		 4eahA-5do7A:
21.44
4eahE-5do7A:
21.44
4eahG-5do7A:
18.72
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 THR A1126
GLN A1083
GLU A1124
THR A1080
 None
 1.28A 4eahA-5i8iA:
undetectable
4eahE-5i8iA:
2.1
4eahG-5i8iA:
undetectable		 4eahA-5i8iA:
13.41
4eahE-5i8iA:
13.41
4eahG-5i8iA:
12.06
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.
5jb3 30S RIBOSOMAL
PROTEIN S2

(Pyrococcus
abyssi) 		PF00318
(Ribosomal_S2) 		4 THR B 102
GLN B 125
GLU B 129
THR B 100
 A  21053 ( 3.1A)
A  21053 ( 2.5A)
A  21053 ( 2.9A)
None
 1.27A 4eahA-5jb3B:
undetectable
4eahE-5jb3B:
undetectable
4eahG-5jb3B:
undetectable		 4eahA-5jb3B:
19.10
4eahE-5jb3B:
19.10
4eahG-5jb3B:
22.25
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ARG A 127
THR A  99
GLU A 101
THR A 102
 None
 1.50A 4eahA-5jjqA:
undetectable
4eahE-5jjqA:
undetectable
4eahG-5jjqA:
undetectable		 4eahA-5jjqA:
22.30
4eahE-5jjqA:
22.30
4eahG-5jjqA:
19.50
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.
5k4g L-ASPARAGINASE

(Wolinella
succinogenes) 		PF00710
(Asparaginase) 		4 ARG A 273
GLN A 284
GLU A 299
THR A 282
 None
 1.47A 4eahA-5k4gA:
undetectable
4eahE-5k4gA:
undetectable
4eahG-5k4gA:
2.3		 4eahA-5k4gA:
22.74
4eahE-5k4gA:
22.74
4eahG-5k4gA:
23.37
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.
5kbc DSBA

(Chlamydia
trachomatis) 		PF13462
(Thioredoxin_4) 		4 THR A 174
GLN A 169
GLU A 183
THR A 172
 None
 1.46A 4eahA-5kbcA:
undetectable
4eahE-5kbcA:
undetectable
4eahG-5kbcA:
undetectable		 4eahA-5kbcA:
19.85
4eahE-5kbcA:
19.85
4eahG-5kbcA:
17.75
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.
5oi9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichoplax
adhaerens) 		no annotation 4 THR A  59
GLN A  54
GLU A  58
THR A  57
 None
 1.36A 4eahA-5oi9A:
undetectable
4eahE-5oi9A:
undetectable
4eahG-5oi9A:
undetectable		 4eahA-5oi9A:
undetectable
4eahE-5oi9A:
undetectable
4eahG-5oi9A:
undetectable
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.
5ws4 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Acinetobacter
baumannii) 		no annotation 4 ARG A 526
THR A 325
GLN A 455
THR A 323
 None
 1.48A 4eahA-5ws4A:
undetectable
4eahE-5ws4A:
undetectable
4eahG-5ws4A:
undetectable		 4eahA-5ws4A:
19.55
4eahE-5ws4A:
19.55
4eahG-5ws4A:
19.76
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.
5z96 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 4

(Mus musculus) 		no annotation 4 THR A 563
GLN A 569
GLU A 566
THR A 567
 None
LPP  A 802 (-3.2A)
None
None
 1.34A 4eahA-5z96A:
0.9
4eahE-5z96A:
0.9
4eahG-5z96A:
undetectable		 4eahA-5z96A:
undetectable
4eahE-5z96A:
undetectable
4eahG-5z96A:
undetectable
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE
ACTH

(Rhodothermus
marinus;
Rhodothermus
marinus) 		no annotation
no annotation 		4 ARG B 968
THR H 144
GLN B 959
GLU B 963
 None
 1.34A 4eahA-6f0kB:
undetectable
4eahE-6f0kB:
undetectable
4eahG-6f0kB:
undetectable		 4eahA-6f0kB:
undetectable
4eahE-6f0kB:
undetectable
4eahG-6f0kB:
undetectable
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.
6g1k TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY C
MEMBER 4A

(Danio rerio) 		no annotation 4 THR A 563
GLN A 569
GLU A 566
THR A 567
 None
44E  A1002 (-3.2A)
None
None
 1.30A 4eahA-6g1kA:
3.5
4eahE-6g1kA:
3.5
4eahG-6g1kA:
undetectable		 4eahA-6g1kA:
undetectable
4eahE-6g1kA:
undetectable
4eahG-6g1kA:
undetectable