SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3e3a'

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.
1KNY_A_KANA558_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		4 / 7 SER A 152
ASP A 210
GLU A 244
GLU A 247
 None
 1.14A 1knyA-3e3aA:
undetectable
1knyB-3e3aA:
undetectable		 1knyA-3e3aA:
22.48
1knyB-3e3aA:
22.48
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.
1KNY_B_KANB559_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		4 / 8 GLU A 247
SER A 152
ASP A 210
GLU A 244
 None
 1.09A 1knyA-3e3aA:
undetectable
1knyB-3e3aA:
undetectable		 1knyA-3e3aA:
22.48
1knyB-3e3aA:
22.48
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.
1MAG_A_DVAA6_0
(GRAMICIDIN A)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		3 / 3 ALA A  90
VAL A  84
TRP A  28
 None
 0.92A 1magA-3e3aA:
undetectable		 1magA-3e3aA:
7.23
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.
1MAG_B_DVAB6_0
(GRAMICIDIN A)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		3 / 3 ALA A  90
VAL A  84
TRP A  28
 None
 0.92A 1magB-3e3aA:
undetectable		 1magB-3e3aA:
7.23
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.
1NG8_A_DVAA6_0
(GRAMICIDIN A)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		3 / 3 ALA A  90
VAL A  84
TRP A  28
 None
 0.93A 1ng8A-3e3aA:
undetectable		 1ng8A-3e3aA:
5.91
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.
1NG8_B_DVAB6_0
(GRAMICIDIN A)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		3 / 3 ALA A  90
VAL A  84
TRP A  28
 None
 0.93A 1ng8B-3e3aA:
undetectable		 1ng8B-3e3aA:
5.91
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.
1NRM_A_DVAA6_0
(GRAMICIDIN A)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		3 / 3 ALA A  90
VAL A  84
TRP A  28
 None
 0.90A 1nrmA-3e3aA:
undetectable		 1nrmA-3e3aA:
7.23
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.
1NRM_B_DVAB6_0
(GRAMICIDIN A)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		3 / 3 ALA A  90
VAL A  84
TRP A  28
 None
 0.90A 1nrmB-3e3aA:
undetectable		 1nrmB-3e3aA:
7.23
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.
1NT6_A_DVAA6_0
(GRAMICIDIN C)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		3 / 3 ALA A  90
VAL A  84
TRP A  28
 None
 0.87A 1nt6A-3e3aA:
undetectable		 1nt6A-3e3aA:
4.51
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.
1NT6_B_DVAB6_0
(GRAMICIDIN C)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		3 / 3 ALA A  90
VAL A  84
TRP A  28
 None
 0.87A 1nt6B-3e3aA:
undetectable		 1nt6B-3e3aA:
4.51
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.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		5 / 12 ARG A 120
ILE A 174
GLY A  20
SER A  87
PHE A  91
 None
 1.30A 1q8jA-3e3aA:
undetectable		 1q8jA-3e3aA:
19.44
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.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		5 / 11 TRP A 172
GLY A  23
GLY A  20
PHE A 243
PHE A 242
 MPD  A 265 ( 4.1A)
None
None
MPD  A 265 (-3.7A)
None
 1.22A 1w76A-3e3aA:
12.6		 1w76A-3e3aA:
18.94
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.
2NV4_B_SAMB202_0
(UPF0066 PROTEIN
AF_0241)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 252
GLN A  32
GLY A 241
LEU A 240
LEU A 232
 None
None
None
MPD  A 265 (-3.7A)
None
 1.38A 2nv4B-3e3aA:
undetectable		 2nv4B-3e3aA:
17.75
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.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		5 / 11 ALA A  90
THR A 112
MET A  97
ALA A 107
VAL A 222
 None
 0.98A 2qhfA-3e3aA:
undetectable		 2qhfA-3e3aA:
24.26
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.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		4 / 8 PHE A  36
ALA A  39
PHE A 257
ALA A 258
 None
 0.98A 3t3sF-3e3aA:
undetectable		 3t3sF-3e3aA:
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.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		4 / 7 PRO A 227
VAL A 222
LEU A 109
ILE A 199
 None
 0.91A 3u5kB-3e3aA:
undetectable		 3u5kB-3e3aA:
17.31
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.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		5 / 12 ASN A 150
PHE A 151
LEU A 184
GLY A  22
ILE A 174
 None
 1.49A 4djeA-3e3aA:
undetectable		 4djeA-3e3aA:
21.54
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.
4NKX_B_STRB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		6 / 12 ALA A 100
ILE A  18
ALA A  70
ALA A  81
VAL A  83
VAL A  16
 None
 1.22A 4nkxB-3e3aA:
undetectable		 4nkxB-3e3aA:
21.29
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.
5Y9M_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		4 / 8 LEU A 109
VAL A 205
VAL A 203
ASP A 224
 None
 0.79A 5y9mA-3e3aA:
undetectable		 5y9mA-3e3aA:
16.25
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		4 / 7 ASP A 185
ARG A 181
GLN A 189
GLN A 121
 None
 1.42A 6g31D-3e3aA:
undetectable		 6g31D-3e3aA:
12.97
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		4 / 7 LEU A 184
ASP A 185
GLN A 189
GLN A 121
 None
 1.28A 6g31D-3e3aA:
undetectable		 6g31D-3e3aA:
12.97
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 184
ARG A 181
GLN A 189
GLN A 121
 None
 1.16A 6g31J-3e3aA:
undetectable		 6g31J-3e3aA:
12.97
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 184
ASP A 185
GLN A 189
GLN A 121
 None
 1.28A 6g31J-3e3aA:
undetectable		 6g31J-3e3aA:
12.97
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.
6G31_L_ZOLL401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 3e3a POSSIBLE PEROXIDASE
BPOC
(Mycobacterium
tuberculosis) 		4 / 6 ASP A 185
ARG A 181
GLN A 189
GLN A 121
 None
 1.32A 6g31L-3e3aA:
undetectable		 6g31L-3e3aA:
12.97