SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wa0'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		4 / 8 ASP A 473
SER A 477
ILE A 508
GLY A 497
 MG  A 601 (-3.3A)
None
None
None
 0.68A 1me7A-4wa0A:
undetectable		 1me7A-4wa0A:
21.08
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.
1MEI_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		4 / 8 ASP A 473
SER A 477
ILE A 508
GLY A 497
 MG  A 601 (-3.3A)
None
None
None
 0.62A 1meiA-4wa0A:
undetectable		 1meiA-4wa0A:
21.08
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.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		4 / 7 GLY A 497
PRO A 471
ASP A 473
THR A 483
 None
None
MG  A 601 (-3.3A)
None
 1.16A 2aouB-4wa0A:
undetectable		 2aouB-4wa0A:
24.10
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.
3KPB_D_SAMD1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		5 / 10 ILE A 428
ASP A 424
THR A 427
ILE A 438
SER A 441
 None
 1.34A 3kpbD-4wa0A:
undetectable		 3kpbD-4wa0A:
17.13
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.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		4 / 7 VAL A 403
ILE A 431
THR A 422
THR A 421
 None
 0.89A 3tneB-4wa0A:
undetectable		 3tneB-4wa0A:
23.65
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.
4A79_A_P1BA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		5 / 12 PRO A 241
LEU A 551
ILE A 582
GLN A 580
ILE A 588
 None
 1.35A 4a79A-4wa0A:
undetectable		 4a79A-4wa0A:
19.70
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.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		4 / 8 LEU A 524
ARG A 513
VAL A 475
GLY A 476
 None
None
MG  A 601 (-4.8A)
MG  A 601 ( 4.4A)
 0.91A 4klrB-4wa0A:
undetectable		 4klrB-4wa0A:
19.61
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.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		5 / 12 PHE A 536
ILE A 534
PHE A 555
MET A 544
LEU A 526
 None
 1.17A 5byjA-4wa0A:
undetectable		 5byjA-4wa0A:
20.60
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.
5G48_A_1FLA1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		4 / 8 THR A 523
LEU A 524
ILE A 510
LEU A 526
 None
 0.70A 5g48A-4wa0A:
undetectable		 5g48A-4wa0A:
23.44
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		5 / 11 ALA A 386
THR A 387
ALA A 345
GLY A 346
LEU A 353
 None
 1.12A 5lf7H-4wa0A:
undetectable
5lf7I-4wa0A:
undetectable		 5lf7H-4wa0A:
23.46
5lf7I-4wa0A:
18.47
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.
5LF7_V_6V8V303_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		5 / 11 ALA A 386
THR A 387
ALA A 345
GLY A 346
LEU A 353
 None
 1.10A 5lf7V-4wa0A:
undetectable
5lf7W-4wa0A:
undetectable		 5lf7V-4wa0A:
23.46
5lf7W-4wa0A:
18.47
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.
5UUN_B_ACTB306_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		4 / 4 LEU A 470
GLY A 497
SER A 530
SER A 550
 None
 1.32A 5uunB-4wa0A:
undetectable		 5uunB-4wa0A:
21.73
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		4 / 7 ASN A 562
ASP A 295
GLY A 275
ASN A 257
 None
 1.02A 5x7pA-4wa0A:
undetectable		 5x7pA-4wa0A:
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.
6DWD_A_GLYA715_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 4wa0 POSSIBLE ADHESIN
(Caldicellulosiru
ptor
kronotskyensis) 		4 / 6 GLY A 476
ASP A 473
SER A 482
ARG A 513
 MG  A 601 ( 4.4A)
MG  A 601 (-3.3A)
None
None
 0.98A 6dwdA-4wa0A:
undetectable
6dwdC-4wa0A:
undetectable		 6dwdA-4wa0A:
23.22
6dwdC-4wa0A:
23.22