SIMILAR PATTERNS OF AMINO ACIDS FOR 5IY5_T_CHDT103

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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 548
GLY A 546
GLU A 483
THR A 480
GLY A 539
 None
 1.49A 5iy5A-1bhyA:
0.0
5iy5B-1bhyA:
0.0
5iy5T-1bhyA:
0.0		 5iy5A-1bhyA:
20.07
5iy5B-1bhyA:
18.46
5iy5T-1bhyA:
9.54
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.25A 5iy5A-1k5sB:
0.0
5iy5B-1k5sB:
0.0
5iy5T-1k5sB:
0.0		 5iy5A-1k5sB:
20.53
5iy5B-1k5sB:
17.45
5iy5T-1k5sB:
9.69
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.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		5 GLY A 214
THR A 226
THR A 227
ARG A 153
GLY A 147
 None
 1.36A 5iy5A-2cdqA:
0.8
5iy5B-2cdqA:
0.0
5iy5T-2cdqA:
0.0		 5iy5A-2cdqA:
22.15
5iy5B-2cdqA:
20.65
5iy5T-2cdqA:
10.13
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 181
GLU A 112
THR A 117
THR A 113
GLY A 174
 None
 1.38A 5iy5A-2quaA:
0.0
5iy5B-2quaA:
0.5
5iy5T-2quaA:
0.0		 5iy5A-2quaA:
21.91
5iy5B-2quaA:
15.42
5iy5T-2quaA:
9.09
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.
2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 GLY A 209
THR A 302
ARG A 452
PHE A  63
GLY A 212
 None
 1.07A 5iy5A-2wyaA:
0.0
5iy5B-2wyaA:
0.0
5iy5T-2wyaA:
0.0		 5iy5A-2wyaA:
20.60
5iy5B-2wyaA:
18.44
5iy5T-2wyaA:
14.16
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 381
TRP A 351
THR A 435
THR A 434
GLY A 350
 None
None
None
SO4  A1481 (-4.0A)
None
 1.37A 5iy5A-2xhyA:
0.0
5iy5B-2xhyA:
0.0
5iy5T-2xhyA:
0.0		 5iy5A-2xhyA:
20.62
5iy5B-2xhyA:
18.60
5iy5T-2xhyA:
10.39
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 MET A 179
GLU A 170
ARG A 230
PHE A 224
GLY A 222
 None
 1.34A 5iy5A-3bt7A:
0.0
5iy5B-3bt7A:
0.0
5iy5T-3bt7A:
0.0		 5iy5A-3bt7A:
20.94
5iy5B-3bt7A:
20.40
5iy5T-3bt7A:
13.24
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.26A 5iy5A-3ce6A:
0.0
5iy5B-3ce6A:
0.0
5iy5T-3ce6A:
0.0		 5iy5A-3ce6A:
22.59
5iy5B-3ce6A:
18.09
5iy5T-3ce6A:
12.30
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) 		5 MET A 402
GLY A 399
THR A 392
ARG A 375
GLY A 484
 None
 1.41A 5iy5A-3cvrA:
2.1
5iy5B-3cvrA:
0.0
5iy5T-3cvrA:
0.0		 5iy5A-3cvrA:
22.78
5iy5B-3cvrA:
18.50
5iy5T-3cvrA:
9.58
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 GLY A 153
THR A 129
ARG A 112
PHE A 104
GLY A  83
 None
 1.31A 5iy5A-3fgbA:
undetectable
5iy5B-3fgbA:
undetectable
5iy5T-3fgbA:
undetectable		 5iy5A-3fgbA:
20.44
5iy5B-3fgbA:
21.47
5iy5T-3fgbA:
13.31
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A 214
GLU A 201
THR A 230
THR A 231
GLY A  94
 None
 1.34A 5iy5A-3wy7A:
0.1
5iy5B-3wy7A:
undetectable
5iy5T-3wy7A:
undetectable		 5iy5A-3wy7A:
21.19
5iy5B-3wy7A:
19.49
5iy5T-3wy7A:
13.50
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 MET A 566
GLY A 565
THR A 544
PHE A 559
GLY A 552
 None
 1.48A 5iy5A-4cgyA:
1.8
5iy5B-4cgyA:
undetectable
5iy5T-4cgyA:
undetectable		 5iy5A-4cgyA:
20.21
5iy5B-4cgyA:
12.96
5iy5T-4cgyA:
7.14
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
GLU A 505
THR A 482
PHE A 444
GLY A 643
 None
 1.32A 5iy5A-4cu8A:
undetectable
5iy5B-4cu8A:
undetectable
5iy5T-4cu8A:
undetectable		 5iy5A-4cu8A:
20.58
5iy5B-4cu8A:
14.29
5iy5T-4cu8A:
6.60
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
THR A 482
THR A 483
PHE A 444
GLY A 643
 None
 1.37A 5iy5A-4cu8A:
undetectable
5iy5B-4cu8A:
undetectable
5iy5T-4cu8A:
undetectable		 5iy5A-4cu8A:
20.58
5iy5B-4cu8A:
14.29
5iy5T-4cu8A:
6.60
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.
4h19 MANDELATE RACEMASE

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 101
THR A 280
THR A  49
ARG A  99
ARG A  90
 CL  A 403 ( 4.0A)
None
None
None
GOL  A 409 (-4.0A)
 1.43A 5iy5A-4h19A:
undetectable
5iy5B-4h19A:
undetectable
5iy5T-4h19A:
undetectable		 5iy5A-4h19A:
21.11
5iy5B-4h19A:
21.39
5iy5T-4h19A:
13.15
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 MET A 175
THR A  67
ARG A 253
PHE A 119
GLY A 153
 None
 1.36A 5iy5A-4qdgA:
undetectable
5iy5B-4qdgA:
undetectable
5iy5T-4qdgA:
undetectable		 5iy5A-4qdgA:
20.49
5iy5B-4qdgA:
23.20
5iy5T-4qdgA:
14.02
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.
5e76 SUSD-LIKE PROTEIN
BACOVA_02651

(Bacteroides
ovatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLY A  71
THR A 382
ARG A 438
PHE A 442
GLY A 443
 None
 1.33A 5iy5A-5e76A:
0.3
5iy5B-5e76A:
undetectable
5iy5T-5e76A:
undetectable		 5iy5A-5e76A:
21.53
5iy5B-5e76A:
18.56
5iy5T-5e76A:
9.06
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 GLY A 104
THR A 333
THR A 331
PHE A 182
GLY A 277
 HEM  A 801 (-3.4A)
None
None
None
None
 1.48A 5iy5A-5kqiA:
0.1
5iy5B-5kqiA:
undetectable
5iy5T-5kqiA:
undetectable		 5iy5A-5kqiA:
20.60
5iy5B-5kqiA:
16.18
5iy5T-5kqiA:
8.20
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 543
GLY A 541
GLU A 478
THR A 475
GLY A 534
 None
 1.47A 5iy5A-5u25A:
2.1
5iy5B-5u25A:
undetectable
5iy5T-5u25A:
undetectable		 5iy5A-5u25A:
20.66
5iy5B-5u25A:
15.97
5iy5T-5u25A:
9.34