SIMILAR PATTERNS OF AMINO ACIDS FOR 5ZCQ_G_CHDG103

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
 1.17A 5zcqG-1k5sB:
0.0
5zcqN-1k5sB:
0.8
5zcqO-1k5sB:
0.0		 5zcqG-1k5sB:
12.50
5zcqN-1k5sB:
20.53
5zcqO-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.
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
 1.39A 5zcqG-3bt7A:
0.0
5zcqN-3bt7A:
0.0
5zcqO-3bt7A:
0.0		 5zcqG-3bt7A:
13.92
5zcqN-3bt7A:
20.94
5zcqO-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
 1.38A 5zcqG-3ce6A:
0.0
5zcqN-3ce6A:
0.0
5zcqO-3ce6A:
0.0		 5zcqG-3ce6A:
12.00
5zcqN-3ce6A:
22.59
5zcqO-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
 1.40A 5zcqG-3cvrA:
0.0
5zcqN-3cvrA:
0.4
5zcqO-3cvrA:
0.0		 5zcqG-3cvrA:
9.07
5zcqN-3cvrA:
22.78
5zcqO-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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 ARG A  41
ARG A  38
GLY A  53
GLY A 285
GLU A 233
 None
 1.26A 5zcqG-3hdjA:
0.0
5zcqN-3hdjA:
0.0
5zcqO-3hdjA:
0.0		 5zcqG-3hdjA:
12.86
5zcqN-3hdjA:
20.63
5zcqO-3hdjA:
20.69
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.
3ny7 SULFATE TRANSPORTER

(Escherichia
coli) 		PF01740
(STAS) 		5 ARG A 505
PHE A 499
GLY A 495
GLY A 466
THR A 437
 None
 1.15A 5zcqG-3ny7A:
0.0
5zcqN-3ny7A:
undetectable
5zcqO-3ny7A:
0.0		 5zcqG-3ny7A:
17.89
5zcqN-3ny7A:
14.10
5zcqO-3ny7A:
20.43
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
 1.01A 5zcqG-3s9bA:
0.0
5zcqN-3s9bA:
undetectable
5zcqO-3s9bA:
0.0		 5zcqG-3s9bA:
15.53
5zcqN-3s9bA:
19.00
5zcqO-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.
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
 1.36A 5zcqG-3wy7A:
0.0
5zcqN-3wy7A:
0.0
5zcqO-3wy7A:
0.0		 5zcqG-3wy7A:
12.93
5zcqN-3wy7A:
21.19
5zcqO-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
 1.39A 5zcqG-4cgyA:
0.0
5zcqN-4cgyA:
0.0
5zcqO-4cgyA:
0.0		 5zcqG-4cgyA:
9.36
5zcqN-4cgyA:
20.21
5zcqO-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) 		5 PHE A 444
GLY A 643
GLY A 597
GLU A 505
THR A 482
 None
 1.34A 5zcqG-4cu8A:
undetectable
5zcqN-4cu8A:
0.0
5zcqO-4cu8A:
undetectable		 5zcqG-4cu8A:
7.93
5zcqN-4cu8A:
20.58
5zcqO-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
 1.47A 5zcqG-4cu8A:
undetectable
5zcqN-4cu8A:
0.0
5zcqO-4cu8A:
undetectable		 5zcqG-4cu8A:
7.93
5zcqN-4cu8A:
20.58
5zcqO-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.
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
 1.50A 5zcqG-4h19A:
undetectable
5zcqN-4h19A:
0.0
5zcqO-4h19A:
undetectable		 5zcqG-4h19A:
13.11
5zcqN-4h19A:
21.11
5zcqO-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.
4j05 PHOSPHATE
TRANSPORTER

(Serendipita
indica) 		PF00083
(Sugar_tr) 		5 PHE A 493
GLY A 492
GLY A 315
THR A 433
THR A 434
 None
 1.22A 5zcqG-4j05A:
undetectable
5zcqN-4j05A:
0.3
5zcqO-4j05A:
undetectable		 5zcqG-4j05A:
10.88
5zcqN-4j05A:
23.83
5zcqO-4j05A:
17.55
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
 1.36A 5zcqG-4j9uA:
undetectable
5zcqN-4j9uA:
1.8
5zcqO-4j9uA:
undetectable		 5zcqG-4j9uA:
10.92
5zcqN-4j9uA:
23.60
5zcqO-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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 ARG A 253
PHE A 119
GLY A 153
MET A 175
THR A  67
 None
 1.33A 5zcqG-4qdgA:
undetectable
5zcqN-4qdgA:
undetectable
5zcqO-4qdgA:
undetectable		 5zcqG-4qdgA:
13.97
5zcqN-4qdgA:
20.49
5zcqO-4qdgA:
23.20