SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3i44'

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.
1DVX_B_DIFB125_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 7 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.65A 1dvxA-3i44A:
undetectable		 1dvxA-3i44A:
13.29
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.
1DVX_B_DIFB125_2
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 7 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.66A 1dvxB-3i44A:
undetectable		 1dvxB-3i44A:
13.29
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.
1ICT_D_T44D129_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 6 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.89A 1ictB-3i44A:
undetectable		 1ictB-3i44A:
13.77
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.
1ICT_D_T44D129_2
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 7 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.72A 1ictD-3i44A:
undetectable		 1ictD-3i44A:
13.77
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.
1MXD_A_ACRA733_1
(ALPHA AMYLASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 6 SER A  62
THR A  61
LEU A 166
TRP A  58
 None
 1.26A 1mxdA-3i44A:
undetectable		 1mxdA-3i44A:
20.31
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.
1RLB_F_REAF177_1
(RETINOL BINDING
PROTEIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		5 / 11 LEU A 173
ALA A 183
VAL A 161
LEU A 165
LEU A 190
 None
 1.04A 1rlbF-3i44A:
undetectable		 1rlbF-3i44A:
16.78
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.
1TYR_A_9CRA131_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 6 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.67A 1tyrA-3i44A:
undetectable		 1tyrA-3i44A:
13.77
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.
1YKI_B_NFZB2219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 8 TYR A   8
PHE A   7
LYS A  46
GLY A  11
 None
 1.07A 1ykiA-3i44A:
undetectable
1ykiB-3i44A:
undetectable		 1ykiA-3i44A:
19.82
1ykiB-3i44A:
19.82
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.
1YKI_D_NFZD4219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 8 TYR A   8
PHE A   7
LYS A  46
GLY A  11
 None
 1.09A 1ykiC-3i44A:
undetectable
1ykiD-3i44A:
undetectable		 1ykiC-3i44A:
19.82
1ykiD-3i44A:
19.82
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.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		5 / 12 GLY A 211
GLY A 205
GLU A 177
ILE A 235
PHE A 225
 None
 1.33A 2azxB-3i44A:
2.6		 2azxB-3i44A:
22.04
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.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 5 ALA A  50
ILE A  48
ASN A 201
ILE A 203
 None
 0.98A 2h4jA-3i44A:
3.6		 2h4jA-3i44A:
20.87
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.
2ZUL_A_SAMA376_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		5 / 12 PHE A 467
GLY A 142
LEU A 220
ASP A 139
PHE A  55
 None
 1.03A 2zulA-3i44A:
4.0		 2zulA-3i44A:
23.02
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.
3CFQ_A_DIFA1_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 6 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.77A 3cfqA-3i44A:
undetectable		 3cfqA-3i44A:
12.75
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.
3CFQ_B_DIFB1_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 7 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.81A 3cfqA-3i44A:
undetectable
3cfqB-3i44A:
undetectable		 3cfqA-3i44A:
12.75
3cfqB-3i44A:
12.75
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		5 / 12 PHE A 467
GLY A 142
LEU A 220
ASP A 139
PHE A  55
 None
 1.02A 3dmhA-3i44A:
4.3		 3dmhA-3i44A:
22.67
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.
3EM4_V_DR7V100_1
(PROTEASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		6 / 11 ALA A  44
ASP A  43
ILE A   9
LEU A 173
VAL A 143
ILE A  48
 None
 1.40A 3em4U-3i44A:
undetectable		 3em4U-3i44A:
12.22
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.
3GN8_A_DEXA247_2
(GLUCOCORTICOID
RECEPTOR 2)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		3 / 3 MET A 184
MET A 171
PHE A   7
 None
 0.98A 3gn8A-3i44A:
undetectable		 3gn8A-3i44A:
18.36
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.
3OZK_B_T44B128_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 7 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.81A 3ozkB-3i44A:
undetectable		 3ozkB-3i44A:
13.56
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.
4B7Q_A_ZMRA601_2
(NEURAMINIDASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		3 / 3 ARG A 272
ARG A 269
ILE A 305
 None
 0.84A 4b7qA-3i44A:
undetectable		 4b7qA-3i44A:
21.61
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.
4D7B_B_TCWB1126_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 7 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.88A 4d7bA-3i44A:
undetectable		 4d7bA-3i44A:
13.97
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.
4IK7_B_IMNB201_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 8 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.83A 4ik7B-3i44A:
undetectable		 4ik7B-3i44A:
13.77
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.
4IKI_B_IMNB201_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 6 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.86A 4ikiB-3i44A:
undetectable		 4ikiB-3i44A:
13.77
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.
4IKJ_A_SUZA201_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 7 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.84A 4ikjA-3i44A:
undetectable
4ikjB-3i44A:
undetectable		 4ikjA-3i44A:
13.77
4ikjB-3i44A:
13.77
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.
4IKK_B_SUZB201_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 7 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.85A 4ikkA-3i44A:
undetectable
4ikkB-3i44A:
undetectable		 4ikkA-3i44A:
13.77
4ikkB-3i44A:
13.77
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.
4IKL_A_SUZA201_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 7 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.83A 4iklA-3i44A:
undetectable
4iklB-3i44A:
undetectable		 4iklA-3i44A:
13.77
4iklB-3i44A:
13.77
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.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 8 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.86A 4iklA-3i44A:
undetectable
4iklB-3i44A:
undetectable		 4iklA-3i44A:
13.77
4iklB-3i44A:
13.77
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.
4OLT_B_GCSB301_1
(CHITOSANASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		3 / 3 GLY A 322
PRO A 323
GLN A 280
 None
 0.28A 4oltB-3i44A:
undetectable		 4oltB-3i44A:
19.52
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.
4QWP_B_GCSB305_1
(CHITOSANASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		3 / 3 GLY A 322
PRO A 323
GLN A 280
 None
 0.20A 4qwpB-3i44A:
undetectable		 4qwpB-3i44A:
19.52
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.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 5 GLY A 318
THR A 317
HIS A 320
GLY A 314
 None
 1.12A 4v20A-3i44A:
undetectable		 4v20A-3i44A:
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.
5HWA_A_GCSA303_1
(CHITOSANASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 5 ASP A  26
HIS A 315
GLY A  93
ALA A  94
 None
 0.96A 5hwaA-3i44A:
undetectable		 5hwaA-3i44A:
19.68
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		3 / 3 VAL A 325
SER A 176
MET A 154
 None
 0.85A 5ikqA-3i44A:
undetectable		 5ikqA-3i44A:
21.63
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.
5LSU_B_SAMB1304_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		3 / 3 ASN A 283
TYR A 413
CYH A 274
 None
 0.99A 5lsuB-3i44A:
undetectable		 5lsuB-3i44A:
20.52
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 8 PRO A 163
GLU A 466
PHE A 467
TYR A 138
 None
 1.49A 5oh1C-3i44A:
undetectable		 5oh1C-3i44A:
13.36
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.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		4 / 6 ILE A 235
LEU A 250
GLY A 227
TYR A 408
 None
 1.01A 5x5qE-3i44A:
undetectable		 5x5qE-3i44A:
22.85
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.
6GSD_A_STRA401_0
(PROGESTERONE
5-BETA-REDUCTASE)		 3i44 ALDEHYDE
DEHYDROGENASE
(Bartonella
henselae) 		5 / 12 VAL A 434
ILE A 414
ASN A 404
VAL A 400
ILE A 257
 None
 1.37A 6gsdA-3i44A:
3.5		 6gsdA-3i44A:
12.42