SIMILAR PATTERNS OF AMINO ACIDS FOR 4A97_B_ZPCB1318

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.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 480
ILE A 491
GLU A 452
GLU A 380
GLU A 414
 None
 1.22A 4a97A-1bbuA:
0.0
4a97B-1bbuA:
0.0		 4a97A-1bbuA:
19.52
4a97B-1bbuA:
19.52
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.
1d6t RIBONUCLEASE P

(Staphylococcus
aureus) 		PF00825
(Ribonuclease_P) 		5 ILE A  66
ASN A  69
HIS A 104
VAL A  84
PHE A 112
 None
 1.19A 4a97A-1d6tA:
0.0
4a97B-1d6tA:
0.0		 4a97A-1d6tA:
16.94
4a97B-1d6tA:
16.94
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.
1jal YCHF PROTEIN

(Haemophilus
influenzae) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 PHE A 213
ILE A 205
ASN A 207
GLU A 243
VAL A 269
 None
 1.24A 4a97A-1jalA:
2.3
4a97B-1jalA:
2.3		 4a97A-1jalA:
22.05
4a97B-1jalA:
22.05
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.
1tmh TRIOSEPHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00121
(TIM) 		5 ARG A 101
ILE A 111
GLU A 135
GLU A 131
HIS A 195
 None
 1.40A 4a97A-1tmhA:
undetectable
4a97B-1tmhA:
0.0		 4a97A-1tmhA:
19.81
4a97B-1tmhA:
19.81
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.
1wkk NUCLEOSIDE
DIPHOSPHATE KINASE

(Thermus
thermophilus) 		PF00334
(NDK) 		5 ARG A 102
ILE A 114
ASN A 112
GLU A  51
VAL A   6
 GDP  A1001 ( 4.7A)
None
GDP  A1001 (-3.9A)
None
None
 1.39A 4a97A-1wkkA:
1.0
4a97B-1wkkA:
0.9		 4a97A-1wkkA:
18.63
4a97B-1wkkA:
18.63
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.
2az3 NUCLEOSIDE
DIPHOSPHATE KINASE

(Halobacterium
salinarum) 		PF00334
(NDK) 		5 ARG A 106
ILE A 118
ASN A 116
GLU A  55
VAL A  10
 CDP  A1100 ( 4.8A)
None
CDP  A1100 (-3.1A)
MG  A 201 ( 2.7A)
None
 1.45A 4a97A-2az3A:
0.7
4a97B-2az3A:
0.7		 4a97A-2az3A:
18.30
4a97B-2az3A:
18.30
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.
2dgd 223AA LONG
HYPOTHETICAL
ARYLMALONATE
DECARBOXYLASE

(Sulfurisphaera
tokodaii) 		no annotation 5 ILE A  89
GLU A  45
GLU A 202
GLU A  96
HIS A  81
 None
 1.43A 4a97A-2dgdA:
0.0
4a97B-2dgdA:
0.0		 4a97A-2dgdA:
20.66
4a97B-2dgdA:
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.
2p1i RIBONUCLEOTIDE
REDUCTASE, SMALL
CHAIN

(Plasmodium
yoelii) 		PF00268
(Ribonuc_red_sm) 		5 ILE A 236
ASN A 233
GLU A 104
GLU A 226
VAL A 114
 None
None
None
FE  A 350 (-1.9A)
None
 1.10A 4a97A-2p1iA:
1.4
4a97B-2p1iA:
2.2		 4a97A-2p1iA:
21.56
4a97B-2p1iA:
21.56
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Staphylococcus
haemolyticus) 		PF01409
(tRNA-synt_2d) 		5 ILE A 284
GLU A 118
GLU A 347
TYR A 324
VAL A 277
 None
 0.99A 4a97A-2rhqA:
0.0
4a97B-2rhqA:
undetectable		 4a97A-2rhqA:
19.45
4a97B-2rhqA:
19.45
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.
3k4z GLYCOSIDE HYDROLASE
FAMILY 9

(Ruminiclostridium
thermocellum) 		PF02018
(CBM_4_9)
PF02927
(CelD_N) 		5 TYR A 100
ILE A  91
GLU A 154
GLU A 112
VAL A 163
 None
None
None
XGP  A 295 ( 4.8A)
None
 1.21A 4a97A-3k4zA:
0.1
4a97B-3k4zA:
0.0		 4a97A-3k4zA:
20.68
4a97B-3k4zA:
20.68
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.
3rqz METALLOPHOSPHOESTERA
SE

(Sphaerobacter
thermophilus) 		PF12850
(Metallophos_2) 		5 GLU A 158
GLU A 172
TYR A 153
VAL A 145
PHE A 212
 None
 1.23A 4a97A-3rqzA:
undetectable
4a97B-3rqzA:
undetectable		 4a97A-3rqzA:
23.84
4a97B-3rqzA:
23.84
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.
3vvt NUCLEOSIDE
DIPHOSPHATE KINASE

(-) 		PF00334
(NDK) 		5 ARG A 102
ILE A 114
ASN A 112
GLU A  51
VAL A   6
 None
 1.40A 4a97A-3vvtA:
undetectable
4a97B-3vvtA:
undetectable		 4a97A-3vvtA:
19.37
4a97B-3vvtA:
19.37
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.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A 159
GLU A 208
GLU A 201
HIS A 188
VAL A 170
 None
 1.33A 4a97A-3wsvA:
0.9
4a97B-3wsvA:
undetectable		 4a97A-3wsvA:
22.64
4a97B-3wsvA:
22.64
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.
4b97 CELLULOSE BINDING
DOMAIN-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		5 TYR A  84
ILE A  24
GLU A 150
TYR A 140
VAL A  26
 None
 1.34A 4a97A-4b97A:
undetectable
4a97B-4b97A:
undetectable		 4a97A-4b97A:
20.33
4a97B-4b97A:
20.33
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.
4bil DNA MATURASE B

(Escherichia
virus T7) 		no annotation 5 ILE A 221
ASN A 215
GLU A 175
TYR A 198
VAL A  45
 None
 1.44A 4a97A-4bilA:
undetectable
4a97B-4bilA:
undetectable		 4a97A-4bilA:
19.96
4a97B-4bilA:
19.96
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.
4k81 GROWTH FACTOR
RECEPTOR-BOUND
PROTEIN 14

(Homo sapiens) 		PF00169
(PH)
PF00788
(RA) 		5 ILE A 110
GLU A 161
GLU A 117
TYR A 186
VAL A 133
 GOL  A 404 ( 4.3A)
None
None
None
None
 1.28A 4a97A-4k81A:
undetectable
4a97B-4k81A:
undetectable		 4a97A-4k81A:
21.45
4a97B-4k81A:
21.45
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.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 ILE A 393
ASN A 395
HIS A  48
VAL A 215
PHE A  42
 None
 1.38A 4a97A-4nkyA:
0.6
4a97B-4nkyA:
0.7		 4a97A-4nkyA:
24.40
4a97B-4nkyA:
24.40
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.
4nnp LIPOPROTEIN

(Staphylococcus
aureus) 		PF01297
(ZnuA) 		5 TYR A 222
ILE A 218
GLU A 225
HIS A 251
VAL A 304
 None
 1.48A 4a97A-4nnpA:
1.9
4a97B-4nnpA:
1.9		 4a97A-4nnpA:
20.13
4a97B-4nnpA:
20.13
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.
4npa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Vibrio cholerae) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		5 PHE A  66
ILE A 222
ASN A  41
TYR A  36
VAL A 105
 None
 1.45A 4a97A-4npaA:
1.7
4a97B-4npaA:
1.8		 4a97A-4npaA:
20.96
4a97B-4npaA:
20.96
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.
4nzk UNCHARACTERIZED
PROTEIN

([Eubacterium]
siraeum) 		PF14286
(DHHW) 		5 PHE A 362
ILE A 357
GLU A 325
VAL A 131
PHE A 208
 None
 1.35A 4a97A-4nzkA:
undetectable
4a97B-4nzkA:
undetectable		 4a97A-4nzkA:
19.62
4a97B-4nzkA:
19.62
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.
4ox3 PUTATIVE
CARBOXYPEPTIDASE
YODJ

(Bacillus
subtilis) 		PF02557
(VanY) 		5 TYR A  67
ILE A  80
ASN A  85
GLU A 126
VAL A  90
 None
 1.37A 4a97A-4ox3A:
undetectable
4a97B-4ox3A:
undetectable		 4a97A-4ox3A:
20.78
4a97B-4ox3A:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		5 PHE A  19
TYR A  38
ARG A  91
ILE A 101
ASN A 103
 None
 0.52A 4a97A-4yeuA:
29.6
4a97B-4yeuA:
29.2		 4a97A-4yeuA:
71.88
4a97B-4yeuA:
71.88
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.
4zoy SQT1

(Chaetomium
thermophilum) 		PF00400
(WD40) 		5 TYR A  77
ILE A 102
ASN A  79
VAL A 520
PHE A 147
 None
 1.24A 4a97A-4zoyA:
undetectable
4a97B-4zoyA:
undetectable		 4a97A-4zoyA:
20.84
4a97B-4zoyA:
20.84
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.
4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 ILE A 191
GLU A 270
TYR A 298
VAL A 179
PHE A 267
 None
 1.43A 4a97A-4zweA:
2.1
4a97B-4zweA:
1.7		 4a97A-4zweA:
20.23
4a97B-4zweA:
20.23
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.
5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Arabidopsis
thaliana) 		PF02446
(Glyco_hydro_77) 		5 ILE A 290
GLU A 105
GLU A 104
HIS A 114
PHE A 107
 None
 1.42A 4a97A-5csuA:
undetectable
4a97B-5csuA:
undetectable		 4a97A-5csuA:
19.40
4a97B-5csuA:
19.40
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.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 PHE A 544
ILE A 145
GLU A 547
GLU A 155
VAL A  92
 None
 1.41A 4a97A-5e84A:
2.7
4a97B-5e84A:
4.0		 4a97A-5e84A:
19.60
4a97B-5e84A:
19.60
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 TYR A 335
ILE A 320
GLU A 353
TYR A 264
VAL A 318
 None
 1.08A 4a97A-5fg3A:
undetectable
4a97B-5fg3A:
undetectable		 4a97A-5fg3A:
18.94
4a97B-5fg3A:
18.94
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.
5j1d PHOSPHATE BINDING
PROTEIN

(Stenotrophomonas
maltophilia) 		PF12849
(PBP_like_2) 		5 ILE A 140
ASN A 198
TYR A 144
VAL A 221
PHE A 188
 None
 1.49A 4a97A-5j1dA:
undetectable
4a97B-5j1dA:
undetectable		 4a97A-5j1dA:
20.66
4a97B-5j1dA:
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		5 TYR A 715
ILE A 710
GLU A 872
GLU A 722
VAL A 776
 None
 1.33A 4a97A-5lrbA:
1.2
4a97B-5lrbA:
1.3		 4a97A-5lrbA:
15.70
4a97B-5lrbA:
15.70
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.
5ocp -

(-) 		no annotation 5 PHE A 107
ILE A  86
GLU A 110
GLU A  11
PHE A  18
 None
None
None
AHR  A 407 ( 3.5A)
None
 1.40A 4a97A-5ocpA:
undetectable
4a97B-5ocpA:
undetectable		 4a97A-5ocpA:
undetectable
4a97B-5ocpA:
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.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 5 PHE A 675
ILE A 855
TYR A 719
VAL A 862
PHE A 640
 None
None
A  B   6 ( 4.8A)
None
None
 1.49A 4a97A-5wlhA:
1.5
4a97B-5wlhA:
1.2		 4a97A-5wlhA:
11.63
4a97B-5wlhA:
11.63
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.
5yt0 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		no annotation 5 TYR A 335
ILE A 320
GLU A 353
TYR A 264
VAL A 318
 None
 0.91A 4a97A-5yt0A:
undetectable
4a97B-5yt0A:
undetectable		 4a97A-5yt0A:
14.24
4a97B-5yt0A:
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.
6bni LYSINE--TRNA LIGASE

(Cryptosporidium
parvum) 		no annotation 5 ARG A 523
ILE A 534
GLU A 495
GLU A 423
GLU A 457
 ADN  A 602 (-3.6A)
None
None
None
None
 1.35A 4a97A-6bniA:
undetectable
4a97B-6bniA:
undetectable		 4a97A-6bniA:
13.68
4a97B-6bniA:
13.68
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.
6byx SHORT ULVAN LYASE

(Alteromonas sp.
LOR) 		no annotation 5 TYR A 497
ILE A  50
GLU A  45
HIS A  96
VAL A 124
 None
 1.44A 4a97A-6byxA:
undetectable
4a97B-6byxA:
undetectable		 4a97A-6byxA:
16.39
4a97B-6byxA:
16.39
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.
6ehr RAS-RELATED
GTP-BINDING PROTEIN
A

(Homo sapiens) 		PF04670
(Gtr1_RagA) 		5 ILE F 198
GLU F 188
HIS F 216
VAL F 274
PHE F 297
 None
 1.49A 4a97A-6ehrF:
undetectable
4a97B-6ehrF:
undetectable		 4a97A-6ehrF:
18.89
4a97B-6ehrF:
18.89