SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3shw'

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.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 12 ASP A 517
LEU A 487
GLY A 516
GLY A 439
ALA A 483
 None
 0.95A 1bx4A-3shwA:
undetectable		 1bx4A-3shwA:
20.55
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.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		4 / 8 PHE A 543
ALA A 559
ARG A 571
LEU A 535
 None
 1.15A 2bxkA-3shwA:
undetectable		 2bxkA-3shwA:
21.43
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.
2Y7H_B_SAMB530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		3 / 3 TYR A 722
GLU A 634
THR A 628
 None
 1.04A 2y7hB-3shwA:
undetectable		 2y7hB-3shwA:
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.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		4 / 8 PRO A 652
ALA A 654
ALA A 657
HIS A 759
 None
 0.74A 3dtuC-3shwA:
undetectable
3dtuD-3shwA:
undetectable		 3dtuC-3shwA:
21.46
3dtuD-3shwA:
17.65
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.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 10 ALA A 785
ILE A 773
ILE A 653
PRO A 652
LEU A 743
 None
 1.06A 3hbbA-3shwA:
undetectable		 3hbbA-3shwA:
21.89
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.
3OZV_B_ECNB411_1
(FLAVOHEMOGLOBIN)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 9 ILE A 560
ILE A 562
PHE A 543
LEU A 535
ALA A 559
 None
 1.04A 3ozvB-3shwA:
undetectable		 3ozvB-3shwA:
22.51
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.
3TI1_A_B49A299_1
(CYCLIN-DEPENDENT
KINASE 2)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 9 ILE A 510
ALA A 438
PHE A 446
ASP A 442
ASP A 547
 None
 1.27A 3ti1A-3shwA:
undetectable		 3ti1A-3shwA:
20.93
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.
3U9F_H_CLMH221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 12 LEU A 490
VAL A 496
PHE A 427
VAL A 433
PHE A 475
 None
 1.36A 3u9fH-3shwA:
undetectable
3u9fI-3shwA:
undetectable		 3u9fH-3shwA:
15.48
3u9fI-3shwA:
15.48
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.
3UZZ_B_ASDB501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		4 / 8 TYR A 669
TYR A 783
LEU A 728
TRP A 782
 None
 1.20A 3uzzB-3shwA:
undetectable		 3uzzB-3shwA:
22.76
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.
4KF9_A_ACTA407_0
(GLUTATHIONE
S-TRANSFERASE
PROTEIN)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		3 / 3 GLU A 634
ARG A 522
HIS A 524
 None
 0.87A 4kf9A-3shwA:
undetectable		 4kf9A-3shwA:
21.24
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.
4L1A_A_AB1A101_2
(MDR769 HIV-1
PROTEASE)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		4 / 6 ASP A 655
GLY A 651
PRO A 710
THR A 709
 None
 1.08A 4l1aB-3shwA:
undetectable		 4l1aB-3shwA:
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 12 ASP A 517
LEU A 487
GLY A 516
GLY A 439
ALA A 483
 None
 0.96A 4n09B-3shwA:
undetectable		 4n09B-3shwA:
21.37
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.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 12 ASP A 517
LEU A 487
GLY A 516
GLY A 439
ALA A 483
 None
 0.97A 4n09D-3shwA:
undetectable		 4n09D-3shwA:
21.37
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.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 10 VAL A 450
ALA A 456
SER A 454
PHE A 427
LEU A 487
 None
 1.11A 5mm4B-3shwA:
undetectable		 5mm4B-3shwA:
11.30
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.
5ND4_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 12 VAL A 450
ALA A 456
SER A 454
PHE A 427
LEU A 487
 None
 1.24A 5nd4B-3shwA:
2.7		 5nd4B-3shwA:
21.41
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.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 12 VAL A 450
ALA A 456
SER A 454
PHE A 427
LEU A 487
 None
 1.11A 5nd7B-3shwA:
2.8		 5nd7B-3shwA:
22.20
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.
5TEG_A_SAMA401_0
(HISTONE H4 MUTANT
PEPTIDE WITH
H4K20NORLEUCINE
N-LYSINE
METHYLTRANSFERASE
KMT5A)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 9 LYS A 577
ARG A 579
TYR A 527
LEU A 583
HIS A 524
 None
 1.19A 5tegA-3shwA:
0.0
5tegD-3shwA:
undetectable		 5tegA-3shwA:
15.60
5tegD-3shwA:
7.89
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.
5XDH_C_DAHC60_1
(PUTATIVE CYTOCHROME
C)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		4 / 6 GLN A 720
ASN A 717
VAL A 800
LEU A 638
 None
 1.17A 5xdhA-3shwA:
undetectable
5xdhC-3shwA:
undetectable		 5xdhA-3shwA:
10.98
5xdhC-3shwA:
10.98
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.
6EW0_G_TA1G501_1
(TUBULIN BETA CHAIN)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		5 / 12 VAL A 450
ALA A 456
SER A 454
PHE A 427
LEU A 487
 None
 0.98A 6ew0G-3shwA:
undetectable		 6ew0G-3shwA:
11.30
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.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		 3shw TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens) 		4 / 7 SER A 531
ARG A 571
ILE A 560
ALA A 559
 None
 0.86A 6ma7A-3shwA:
undetectable		 6ma7A-3shwA:
10.52