SIMILAR PATTERNS OF AMINO ACIDS FOR 5Z85_T_CHDT101

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 5z85A-1bhyA:
0.0
5z85B-1bhyA:
0.0
5z85T-1bhyA:
0.0		 5z85A-1bhyA:
20.07
5z85B-1bhyA:
18.46
5z85T-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
 1.20A 5z85A-1k5sB:
0.2
5z85B-1k5sB:
0.0
5z85T-1k5sB:
0.0		 5z85A-1k5sB:
20.53
5z85B-1k5sB:
17.45
5z85T-1k5sB:
12.50
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.
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
 1.39A 5z85A-3bt7A:
0.0
5z85B-3bt7A:
0.0
5z85T-3bt7A:
0.0		 5z85A-3bt7A:
20.94
5z85B-3bt7A:
20.40
5z85T-3bt7A:
13.92
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.
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
 1.34A 5z85A-3ce6A:
0.0
5z85B-3ce6A:
0.0
5z85T-3ce6A:
0.0		 5z85A-3ce6A:
22.59
5z85B-3ce6A:
18.09
5z85T-3ce6A:
12.00
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.
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
 1.39A 5z85A-3cvrA:
1.7
5z85B-3cvrA:
0.0
5z85T-3cvrA:
0.0		 5z85A-3cvrA:
22.78
5z85B-3cvrA:
18.50
5z85T-3cvrA:
9.07
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 GLY A 285
GLU A 233
ARG A  41
ARG A  38
GLY A  53
 None
 1.23A 5z85A-3hdjA:
0.0
5z85B-3hdjA:
0.0
5z85T-3hdjA:
0.0		 5z85A-3hdjA:
20.63
5z85B-3hdjA:
20.69
5z85T-3hdjA:
12.86
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 GLY A 466
THR A 437
ARG A 505
PHE A 499
GLY A 495
 None
 1.12A 5z85A-3ny7A:
undetectable
5z85B-3ny7A:
0.0
5z85T-3ny7A:
0.0		 5z85A-3ny7A:
14.10
5z85B-3ny7A:
20.43
5z85T-3ny7A:
17.89
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 GLY A  18
ARG A 137
ARG A 135
PHE A 161
GLY A 184
 None
 0.99A 5z85A-3s9bA:
undetectable
5z85B-3s9bA:
0.0
5z85T-3s9bA:
0.0		 5z85A-3s9bA:
19.00
5z85B-3s9bA:
21.01
5z85T-3s9bA:
15.53
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
 1.39A 5z85A-3wy7A:
0.0
5z85B-3wy7A:
0.0
5z85T-3wy7A:
0.0		 5z85A-3wy7A:
21.19
5z85B-3wy7A:
19.49
5z85T-3wy7A:
12.93
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.
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
 1.46A 5z85A-4cgyA:
0.0
5z85B-4cgyA:
undetectable
5z85T-4cgyA:
undetectable		 5z85A-4cgyA:
20.21
5z85B-4cgyA:
12.96
5z85T-4cgyA:
9.36
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
 1.33A 5z85A-4cu8A:
0.0
5z85B-4cu8A:
undetectable
5z85T-4cu8A:
undetectable		 5z85A-4cu8A:
20.58
5z85B-4cu8A:
14.29
5z85T-4cu8A:
7.93
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.
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
 1.46A 5z85A-4cu8A:
0.0
5z85B-4cu8A:
undetectable
5z85T-4cu8A:
undetectable		 5z85A-4cu8A:
20.58
5z85B-4cu8A:
14.29
5z85T-4cu8A:
7.93
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.
4j05 PHOSPHATE
TRANSPORTER

(Serendipita
indica) 		PF00083
(Sugar_tr) 		5 GLY A 315
THR A 433
THR A 434
PHE A 493
GLY A 492
 None
 1.21A 5z85A-4j05A:
0.5
5z85B-4j05A:
undetectable
5z85T-4j05A:
undetectable		 5z85A-4j05A:
23.83
5z85B-4j05A:
17.55
5z85T-4j05A:
10.88
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 MET A 356
GLY A 355
THR A 110
THR A 112
PHE A 466
 None
 1.39A 5z85A-4j9uA:
2.4
5z85B-4j9uA:
undetectable
5z85T-4j9uA:
undetectable		 5z85A-4j9uA:
23.60
5z85B-4j9uA:
18.89
5z85T-4j9uA:
10.92
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 MET A 175
THR A  67
ARG A 253
PHE A 119
GLY A 153
 None
 1.34A 5z85A-4qdgA:
undetectable
5z85B-4qdgA:
undetectable
5z85T-4qdgA:
undetectable		 5z85A-4qdgA:
20.49
5z85B-4qdgA:
23.20
5z85T-4qdgA:
13.97
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
 1.48A 5z85A-5u25A:
0.0
5z85B-5u25A:
undetectable
5z85T-5u25A:
undetectable		 5z85A-5u25A:
20.66
5z85B-5u25A:
15.97
5z85T-5u25A:
9.34