SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ae0'

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.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 7 VAL A 118
LEU A 106
LEU A 138
LEU A 136
 None
 0.77A 1cqpA-4ae0A:
undetectable
1cqpB-4ae0A:
undetectable		 1cqpA-4ae0A:
15.58
1cqpB-4ae0A:
15.58
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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		5 / 7 HIS A  21
GLY A  22
TYR A  54
ALA A  62
TYR A  65
 None
 0.63A 1dmaA-4ae0A:
9.7		 1dmaA-4ae0A:
16.57
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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 7 TYR A  54
ALA A  62
TYR A  65
GLU A 148
 None
 0.79A 1dmaA-4ae0A:
9.7		 1dmaA-4ae0A:
16.57
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.
1DMA_B_NCAB700_0
(EXOTOXIN A)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		5 / 6 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 None
 0.84A 1dmaB-4ae0A:
8.6		 1dmaB-4ae0A:
16.57
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.
1HWI_B_115B1_2
(HMG-COA REDUCTASE)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 8 SER A 137
VAL A  91
SER A  11
ASP A   7
 None
 1.25A 1hwiB-4ae0A:
undetectable		 1hwiB-4ae0A:
24.11
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 8 SER A 137
VAL A  91
SER A  11
ASP A   7
 None
 1.26A 1hwkA-4ae0A:
1.8		 1hwkA-4ae0A:
24.11
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 8 SER A 137
VAL A  91
SER A  11
ASP A   7
 None
 1.26A 1hwkC-4ae0A:
1.8		 1hwkC-4ae0A:
24.11
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.
1V8B_C_ADNC2502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		3 / 3 GLU A 168
THR A 169
LEU A 163
 None
 0.69A 1v8bC-4ae0A:
undetectable		 1v8bC-4ae0A:
21.60
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.
2WEK_B_DIFB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 6 PRO A  25
ILE A  31
ASN A 166
LEU A 163
 None
 1.14A 2wekB-4ae0A:
undetectable		 2wekB-4ae0A:
21.99
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.
3U9H_A_NCAA1163_0
(TANKYRASE-2)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 8 HIS A  21
GLY A  22
TYR A  54
TYR A  65
 None
 0.58A 3u9hA-4ae0A:
6.4		 3u9hA-4ae0A:
18.66
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.
3U9H_A_NCAA1163_0
(TANKYRASE-2)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 8 HIS A  21
GLY A  22
TYR A  65
GLU A 148
 None
 0.89A 3u9hA-4ae0A:
6.4		 3u9hA-4ae0A:
18.66
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.
3U9H_B_NCAB1164_0
(TANKYRASE-2)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 8 HIS A  21
GLY A  22
TYR A  54
TYR A  65
 None
 0.59A 3u9hB-4ae0A:
6.3		 3u9hB-4ae0A:
18.66
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.
4A97_A_ZPCA1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 7 PHE A  17
VAL A 135
ILE A 150
ASN A 151
 None
 0.90A 4a97E-4ae0A:
2.9		 4a97E-4ae0A:
20.70
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.
4A97_E_ZPCE1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 8 PHE A  17
VAL A 135
ILE A 150
ASN A 151
 None
 0.84A 4a97D-4ae0A:
2.9		 4a97D-4ae0A:
20.70
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.
4A97_I_ZPCI1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 7 PHE A  17
VAL A 135
ILE A 150
ASN A 151
 None
 0.94A 4a97H-4ae0A:
undetectable		 4a97H-4ae0A:
20.70
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.
4AE1_A_NCAA1536_0
(DIPHTHERIA TOXIN)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		6 / 6 HIS A  21
GLY A  22
TYR A  54
ALA A  62
TYR A  65
GLU A 148
 None
 0.41A 4ae1A-4ae0A:
48.6		 4ae1A-4ae0A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AE1_B_NCAB1536_0
(DIPHTHERIA TOXIN)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		5 / 5 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 None
 0.49A 4ae1B-4ae0A:
48.6		 4ae1B-4ae0A:
100.00
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 8 HIS A  21
GLY A  22
TYR A  54
TYR A  65
 None
 0.42A 4bjcA-4ae0A:
6.5		 4bjcA-4ae0A:
18.66
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 8 HIS A  21
GLY A  22
TYR A  65
GLU A 148
 None
 0.85A 4bjcA-4ae0A:
6.5		 4bjcA-4ae0A:
18.66
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.
4HYF_A_NCAA1201_0
(TANKYRASE-2)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		5 / 7 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 None
 0.80A 4hyfA-4ae0A:
5.5		 4hyfA-4ae0A:
18.66
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.
4HYF_B_NCAB1201_0
(TANKYRASE-2)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		5 / 8 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 None
 0.77A 4hyfB-4ae0A:
5.5		 4hyfB-4ae0A:
18.66
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.
4HYF_C_NCAC1201_0
(TANKYRASE-2)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		5 / 8 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 None
 0.74A 4hyfC-4ae0A:
5.7		 4hyfC-4ae0A:
18.66
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.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 6 ILE A 226
ILE A 217
SER A 337
PHE A 250
 None
 0.98A 4m51A-4ae0A:
undetectable		 4m51A-4ae0A:
23.57
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.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		5 / 12 LEU A 512
GLY A 431
LEU A 487
MET A 459
ILE A 457
 None
 1.13A 4ok1A-4ae0A:
undetectable		 4ok1A-4ae0A:
16.76
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		5 / 12 GLY A  75
ILE A 165
ASN A 166
TYR A  60
GLN A 184
 None
 0.99A 4rtmA-4ae0A:
undetectable		 4rtmA-4ae0A:
21.04
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		5 / 11 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 None
 0.80A 4rv6B-4ae0A:
6.4		 4rv6B-4ae0A:
22.18
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.
5J2T_C_VLBC503_2
(TUBULIN ALPHA-1B
CHAIN)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		5 / 12 LEU A 434
ILE A 420
VAL A 511
GLY A 510
ILE A 509
 None
 0.77A 5j2tC-4ae0A:
undetectable		 5j2tC-4ae0A:
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.
5TIW_A_OAQA302_0
(SULFOTRANSFERASE)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		5 / 12 MET A 230
ILE A 226
ILE A 217
LEU A 335
LEU A 260
 None
 1.18A 5tiwA-4ae0A:
undetectable		 5tiwA-4ae0A:
17.61
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.
5UUN_B_ACTB306_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 4 LEU A 433
GLY A 510
SER A 508
SER A 506
 None
 1.30A 5uunB-4ae0A:
undetectable		 5uunB-4ae0A:
20.04
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.
6B5V_A_ECLA1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 7 ILE A 202
LEU A 204
ILE A 310
ALA A 330
 None
 0.77A 6b5vA-4ae0A:
undetectable
6b5vC-4ae0A:
undetectable		 6b5vA-4ae0A:
11.50
6b5vC-4ae0A:
11.50
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.
6GBF_A_ACTA507_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		3 / 3 LYS A   5
SER A  11
SER A   8
 None
 1.09A 6gbfA-4ae0A:
undetectable		 6gbfA-4ae0A:
23.37
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		 4ae0 DIPHTHERIA TOXIN
(Corynebacterium
diphtheriae) 		4 / 6 MET A  14
THR A  89
LEU A  88
THR A  84
 None
 1.11A 6mvxA-4ae0A:
undetectable
6mvxB-4ae0A:
undetectable
6mvxC-4ae0A:
undetectable		 6mvxA-4ae0A:
19.60
6mvxB-4ae0A:
19.60
6mvxC-4ae0A:
19.60