SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2qny'

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.
1D4F_B_ADNB602_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		4 / 5 THR A 145
GLU A 140
THR A 139
HIS A  83
 DFD  A 760 (-3.6A)
None
None
None
 1.32A 1d4fB-2qnyA:
undetectable		 1d4fB-2qnyA:
24.24
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.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		4 / 8 LEU A 308
ALA A 216
LEU A 301
THR A 177
 None
 0.92A 1dvtA-2qnyA:
undetectable
1dvtB-2qnyA:
undetectable		 1dvtA-2qnyA:
15.87
1dvtB-2qnyA:
15.87
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.
1WU8_C_ADNC502_1
(HYPOTHETICAL PROTEIN
PH0463)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		4 / 7 PHE A 246
ASN A 274
ASN A  81
VAL A 205
 DFD  A 760 (-3.9A)
DFD  A 760 (-3.2A)
DFD  A 760 (-4.5A)
DFD  A 760 ( 4.1A)
 1.30A 1wu8A-2qnyA:
undetectable
1wu8C-2qnyA:
undetectable		 1wu8A-2qnyA:
25.00
1wu8C-2qnyA:
25.00
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.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		6 / 12 GLY A 167
ALA A 131
ASP A  74
ALA A 122
LEU A 135
VAL A 136
 None
 1.45A 2yqzB-2qnyA:
undetectable		 2yqzB-2qnyA:
22.41
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.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 ILE A  77
GLY A 138
ALA A 118
LEU A 119
VAL A   8
 None
 1.09A 2yvlB-2qnyA:
undetectable		 2yvlB-2qnyA:
20.46
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.
3CLB_D_TMQD614_1
(DHFR-TS)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 10 VAL A 223
ALA A 179
ILE A 280
PRO A 281
ILE A 302
 None
 1.25A 3clbD-2qnyA:
undetectable		 3clbD-2qnyA:
21.28
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.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 165
ALA A 163
LEU A  98
SER A  69
ILE A 103
 None
 1.07A 3hj3D-2qnyA:
undetectable		 3hj3D-2qnyA:
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.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 11 THR A 275
ARG A  12
GLY A 160
ALA A 162
SER A 276
 None
None
None
None
DFD  A 760 (-3.2A)
 1.21A 3mg0N-2qnyA:
undetectable		 3mg0N-2qnyA:
22.54
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 308
TYR A 310
ALA A 113
GLY A 303
GLY A 305
 None
None
None
None
DFD  A 760 (-3.6A)
 1.10A 3ou6A-2qnyA:
undetectable		 3ou6A-2qnyA:
23.60
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 308
TYR A 310
ALA A 113
GLY A 303
GLY A 305
 None
None
None
None
DFD  A 760 (-3.6A)
 1.12A 3ou6B-2qnyA:
undetectable		 3ou6B-2qnyA:
23.60
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.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 308
TYR A 310
ALA A 113
GLY A 303
GLY A 305
 None
None
None
None
DFD  A 760 (-3.6A)
 1.09A 3ou7A-2qnyA:
undetectable		 3ou7A-2qnyA:
23.60
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.
3OU7_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 308
TYR A 310
ALA A 113
GLY A 303
GLY A 305
 None
None
None
None
DFD  A 760 (-3.6A)
 1.09A 3ou7D-2qnyA:
undetectable		 3ou7D-2qnyA:
23.60
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.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 167
LEU A 288
MET A 284
VAL A 315
ALA A 299
 None
 0.94A 3t7vA-2qnyA:
undetectable		 3t7vA-2qnyA:
22.45
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 118
ARG A 127
ILE A 126
LEU A 135
VAL A 166
 None
 1.22A 4azsA-2qnyA:
undetectable		 4azsA-2qnyA:
19.27
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.
4AZW_A_SAMA1451_0
(WBDD)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 118
ARG A 127
ILE A 126
LEU A 135
VAL A 166
 None
 1.22A 4azwA-2qnyA:
undetectable		 4azwA-2qnyA:
20.45
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.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 165
ALA A 163
LEU A  98
SER A  69
ILE A 103
 None
 1.14A 4ky8A-2qnyA:
undetectable		 4ky8A-2qnyA:
20.20
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		4 / 8 VAL A 242
LEU A 301
ILE A 174
VAL A 136
 None
 0.96A 4ma7A-2qnyA:
undetectable		 4ma7A-2qnyA:
14.33
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.
4MME_B_29QB603_1
(TRANSPORTER)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 9 VAL A 164
ALA A 163
GLY A 116
PHE A 115
GLY A 138
 None
 1.09A 4mmeB-2qnyA:
undetectable		 4mmeB-2qnyA:
20.79
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.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 11 THR A 275
THR A  79
ARG A  12
GLY A 160
ALA A 162
 None
 1.49A 4qvpH-2qnyA:
undetectable
4qvpN-2qnyA:
undetectable		 4qvpH-2qnyA:
19.23
4qvpN-2qnyA:
22.54
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.
4U14_A_0HKA2000_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 280
SER A 279
ALA A 158
TYR A 304
CYH A 112
 None
None
None
None
DFD  A 760 (-1.6A)
 1.09A 4u14A-2qnyA:
undetectable		 4u14A-2qnyA:
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 180
LEU A 308
ALA A 216
ALA A 312
GLY A 303
 None
 1.03A 5jglB-2qnyA:
undetectable		 5jglB-2qnyA:
20.42
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.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 PHE A 171
GLY A   4
GLY A 173
GLN A 172
LEU A   6
 None
 1.15A 5kocB-2qnyA:
undetectable		 5kocB-2qnyA:
21.84
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.
5N0X_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		3 / 3 SER A  50
ALA A  51
THR A  80
 None
 0.71A 5n0xB-2qnyA:
undetectable		 5n0xB-2qnyA:
24.34
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.
5OSP_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		4 / 7 VAL A 242
VAL A 315
PRO A 317
ALA A 299
 None
 0.74A 5ospA-2qnyA:
undetectable		 5ospA-2qnyA:
20.89
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.
5TE8_A_08JA602_1
(CYTOCHROME P450 3A4)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		4 / 7 ARG A  60
SER A  97
ALA A  52
THR A 139
 None
 0.94A 5te8A-2qnyA:
undetectable		 5te8A-2qnyA:
20.20
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 285
VAL A 137
ALA A  55
LEU A  98
LEU A 135
 None
 1.02A 5xxiA-2qnyA:
undetectable		 5xxiA-2qnyA:
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.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		 2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Mycobacterium
tuberculosis) 		5 / 12 VAL A   8
VAL A 164
ASP A 239
PHE A 115
VAL A 314
 None
 1.29A 6iblA-2qnyA:
undetectable		 6iblA-2qnyA:
21.78