SIMILAR PATTERNS OF AMINO ACIDS FOR 5X1F_G_CHDG104

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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.15A 5x1fG-1k5sB:
0.0
5x1fN-1k5sB:
0.3
5x1fO-1k5sB:
0.0		 5x1fG-1k5sB:
12.50
5x1fN-1k5sB:
20.53
5x1fO-1k5sB:
17.45
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.
1wk4 TTK003001606

(Thermus
thermophilus) 		PF00583
(Acetyltransf_1) 		5 PHE A 139
GLY A 136
GLN A 101
THR A  21
THR A  25
 MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
None
None
None
 1.23A 5x1fG-1wk4A:
0.0
5x1fN-1wk4A:
undetectable
5x1fO-1wk4A:
0.0		 5x1fG-1wk4A:
18.86
5x1fN-1wk4A:
14.65
5x1fO-1wk4A:
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 ARG A  90
GLY A 105
GLY A  67
GLN A  71
GLU A  40
 NLG  A1302 (-4.3A)
None
NLG  A1302 (-3.3A)
None
None
 1.39A 5x1fG-2bufA:
0.0
5x1fN-2bufA:
0.0
5x1fO-2bufA:
0.0		 5x1fG-2bufA:
14.04
5x1fN-2bufA:
22.06
5x1fO-2bufA:
21.69
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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		5 ARG A 171
PHE A 192
GLY A 273
GLY A 291
THR A 328
 None
None
C5P  A1344 (-3.2A)
None
None
 1.48A 5x1fG-2wnbA:
0.0
5x1fN-2wnbA:
0.0
5x1fO-2wnbA:
0.0		 5x1fG-2wnbA:
14.73
5x1fN-2wnbA:
17.88
5x1fO-2wnbA:
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 350
GLY A 381
TRP A 351
THR A 435
THR A 434
 None
None
None
None
SO4  A1481 (-4.0A)
 1.32A 5x1fG-2xhyA:
0.0
5x1fN-2xhyA:
0.0
5x1fO-2xhyA:
0.0		 5x1fG-2xhyA:
10.37
5x1fN-2xhyA:
20.62
5x1fO-2xhyA:
18.60
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.
3al8 SEMAPHORIN-6A

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		5 ARG A 486
GLY A 441
MET A 488
GLY A 489
THR A 300
 None
 1.29A 5x1fG-3al8A:
0.0
5x1fN-3al8A:
undetectable
5x1fO-3al8A:
0.0		 5x1fG-3al8A:
8.99
5x1fN-3al8A:
21.01
5x1fO-3al8A:
17.63
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 ARG A 230
PHE A 224
GLY A 222
MET A 179
GLU A 170
 None
 1.34A 5x1fG-3bt7A:
0.0
5x1fN-3bt7A:
0.0
5x1fO-3bt7A:
0.0		 5x1fG-3bt7A:
13.92
5x1fN-3bt7A:
20.94
5x1fO-3bt7A:
20.40
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.31A 5x1fG-3ce6A:
0.0
5x1fN-3ce6A:
0.0
5x1fO-3ce6A:
0.0		 5x1fG-3ce6A:
12.00
5x1fN-3ce6A:
22.59
5x1fO-3ce6A:
18.09
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) 		5 ARG A 375
GLY A 484
MET A 402
GLY A 399
THR A 392
 None
 1.41A 5x1fG-3cvrA:
0.0
5x1fN-3cvrA:
0.3
5x1fO-3cvrA:
0.0		 5x1fG-3cvrA:
9.07
5x1fN-3cvrA:
22.78
5x1fO-3cvrA:
18.50
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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 ARG A 137
GLY A 275
GLY A 199
GLN A 202
THR A 203
 None
 1.43A 5x1fG-3hn0A:
undetectable
5x1fN-3hn0A:
0.0
5x1fO-3hn0A:
undetectable		 5x1fG-3hn0A:
15.47
5x1fN-3hn0A:
19.48
5x1fO-3hn0A:
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.
3j4u MAJOR CAPSID PROTEIN

(Bordetella
virus BPP1) 		no annotation 5 GLY A 144
MET A  87
GLY A  88
GLN A 126
THR A 125
 None
 1.47A 5x1fG-3j4uA:
undetectable
5x1fN-3j4uA:
undetectable
5x1fO-3j4uA:
undetectable		 5x1fG-3j4uA:
14.44
5x1fN-3j4uA:
21.07
5x1fO-3j4uA:
21.30
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 ARG A 137
ARG A 135
PHE A 161
GLY A 184
GLY A  18
 None
 1.10A 5x1fG-3s9bA:
undetectable
5x1fN-3s9bA:
undetectable
5x1fO-3s9bA:
undetectable		 5x1fG-3s9bA:
15.53
5x1fN-3s9bA:
19.00
5x1fO-3s9bA:
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II
IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE

(Ascaris suum;
Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 ARG A 320
GLY A 279
GLN A  84
GLU B  91
THR A 366
 FUM  A 701 (-3.2A)
None
None
FAD  A 702 ( 4.4A)
None
 1.48A 5x1fG-3vrbA:
undetectable
5x1fN-3vrbA:
0.8
5x1fO-3vrbA:
undetectable		 5x1fG-3vrbA:
8.69
5x1fN-3vrbA:
22.27
5x1fO-3vrbA:
15.62
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A  94
GLY A 214
GLU A 201
THR A 230
THR A 231
 None
 1.38A 5x1fG-3wy7A:
undetectable
5x1fN-3wy7A:
0.0
5x1fO-3wy7A:
undetectable		 5x1fG-3wy7A:
12.93
5x1fN-3wy7A:
21.19
5x1fO-3wy7A:
19.49
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 PHE A 559
GLY A 552
MET A 566
GLY A 565
THR A 544
 None
 1.37A 5x1fG-4cgyA:
undetectable
5x1fN-4cgyA:
1.6
5x1fO-4cgyA:
undetectable		 5x1fG-4cgyA:
9.36
5x1fN-4cgyA:
20.21
5x1fO-4cgyA:
12.96
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		6 PHE A 444
GLY A 643
GLY A 597
GLN A 503
GLU A 505
THR A 482
 None
 1.37A 5x1fG-4cu8A:
undetectable
5x1fN-4cu8A:
undetectable
5x1fO-4cu8A:
undetectable		 5x1fG-4cu8A:
7.93
5x1fN-4cu8A:
20.58
5x1fO-4cu8A:
14.29
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 444
GLY A 643
GLY A 597
THR A 482
THR A 483
 None
 1.40A 5x1fG-4cu8A:
undetectable
5x1fN-4cu8A:
undetectable
5x1fO-4cu8A:
undetectable		 5x1fG-4cu8A:
7.93
5x1fN-4cu8A:
20.58
5x1fO-4cu8A:
14.29
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.
4d25 BMVLG PROTEIN

(Bombyx mori) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ARG A 324
GLY A 316
GLY A 294
GLN A 300
THR A 270
 U  D   6 ( 4.1A)
A  D   5 ( 3.1A)
U  D   6 ( 3.9A)
None
None
 1.26A 5x1fG-4d25A:
undetectable
5x1fN-4d25A:
undetectable
5x1fO-4d25A:
undetectable		 5x1fG-4d25A:
11.78
5x1fN-4d25A:
18.83
5x1fO-4d25A:
19.77
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.
4h19 MANDELATE RACEMASE

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A  99
ARG A  90
GLY A 101
THR A 280
THR A  49
 None
GOL  A 409 (-4.0A)
CL  A 403 ( 4.0A)
None
None
 1.48A 5x1fG-4h19A:
undetectable
5x1fN-4h19A:
undetectable
5x1fO-4h19A:
undetectable		 5x1fG-4h19A:
13.11
5x1fN-4h19A:
21.11
5x1fO-4h19A:
21.39
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.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		5 PHE A 153
GLY A 133
GLY A 242
THR A 175
THR A 176
 None
 1.44A 5x1fG-4htlA:
undetectable
5x1fN-4htlA:
0.0
5x1fO-4htlA:
undetectable		 5x1fG-4htlA:
14.63
5x1fN-4htlA:
22.05
5x1fO-4htlA:
23.00
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 PHE A 466
MET A 356
GLY A 355
THR A 110
THR A 112
 None
 1.28A 5x1fG-4j9uA:
undetectable
5x1fN-4j9uA:
1.7
5x1fO-4j9uA:
undetectable		 5x1fG-4j9uA:
10.92
5x1fN-4j9uA:
23.60
5x1fO-4j9uA:
18.89
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 ARG A  44
GLY A 184
MET A 149
GLY A 177
GLN A 175
 IPE  A 301 (-3.1A)
None
GST  A 302 ( 4.1A)
None
None
 1.44A 5x1fG-4llsA:
undetectable
5x1fN-4llsA:
1.9
5x1fO-4llsA:
undetectable		 5x1fG-4llsA:
14.29
5x1fN-4llsA:
20.31
5x1fO-4llsA:
22.93
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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.23A 5x1fG-4pelB:
undetectable
5x1fN-4pelB:
undetectable
5x1fO-4pelB:
undetectable		 5x1fG-4pelB:
9.81
5x1fN-4pelB:
21.29
5x1fO-4pelB:
17.12
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 ARG A 253
PHE A 119
GLY A 153
MET A 175
THR A  67
 None
 1.37A 5x1fG-4qdgA:
undetectable
5x1fN-4qdgA:
undetectable
5x1fO-4qdgA:
undetectable		 5x1fG-4qdgA:
13.97
5x1fN-4qdgA:
20.49
5x1fO-4qdgA:
23.20
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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		5 ARG A 384
GLY A 420
GLN A 643
GLU A 640
THR A 639
 None
None
None
CA  A1777 (-2.7A)
None
 1.39A 5x1fG-4v1uA:
undetectable
5x1fN-4v1uA:
undetectable
5x1fO-4v1uA:
undetectable		 5x1fG-4v1uA:
7.48
5x1fN-4v1uA:
22.14
5x1fO-4v1uA:
14.64
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 PHE A  22
GLY A 519
GLU A 518
THR A  16
THR A 252
 None
 1.41A 5x1fG-5yb7A:
undetectable
5x1fN-5yb7A:
undetectable
5x1fO-5yb7A:
undetectable		 5x1fG-5yb7A:
undetectable
5x1fN-5yb7A:
undetectable
5x1fO-5yb7A:
undetectable