SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IUM'


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.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		4 / 7 GLY A 349
PHE A 403
PRO A 402
ASP A 405
 IUM  A1102 (-3.8A)
None
None
None
 0.80A 2aouB-1ct9A:
undetectable		 2aouB-1ct9A:
18.74
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.
2BR4_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		5 / 12 LEU A 215
LEU A 432
LYS A 429
GLY A 347
ASP A 238
 None
None
IUM  A1101 ( 3.9A)
AMP  A1100 (-3.7A)
IUM  A1101 ( 3.0A)
 1.16A 2br4E-1ct9A:
undetectable		 2br4E-1ct9A:
17.51
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.
2JC9_A_ADNA1497_1
(CYTOSOLIC PURINE
5'-NUCLEOTIDASE)		 3l0o TRANSCRIPTION
TERMINATION FACTOR
RHO
(Thermotoga
maritima) 		4 / 7 ARG A  74
ILE A 108
PHE A  57
GLN A  49
 IUM  A 428 ( 4.2A)
None
None
None
 1.07A 2jc9A-3l0oA:
undetectable		 2jc9A-3l0oA:
21.91
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.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		3 / 3 THR A 373
ASP A 238
SER A 346
 None
IUM  A1101 ( 3.0A)
AMP  A1100 (-3.0A)
 0.79A 2nxeA-1ct9A:
1.9		 2nxeA-1ct9A:
19.15
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.
2NXE_B_SAMB303_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		3 / 3 THR A 373
ASP A 238
SER A 346
 None
IUM  A1101 ( 3.0A)
AMP  A1100 (-3.0A)
 0.74A 2nxeB-1ct9A:
2.0		 2nxeB-1ct9A:
19.15
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.
3FRQ_B_ERYB195_0
(REPRESSOR PROTEIN
MPHR(A))		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		5 / 12 LEU A 215
GLY A 349
LEU A 358
ILE A 241
SER A 240
 None
IUM  A1102 (-3.8A)
None
None
None
 0.96A 3frqB-1ct9A:
0.0		 3frqB-1ct9A:
16.82
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.
3HEC_A_STIA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3l0o TRANSCRIPTION
TERMINATION FACTOR
RHO
(Thermotoga
maritima) 		4 / 4 LEU A  46
MET A 120
ILE A 230
ASP A  77
 None
None
None
IUM  A 428 (-2.6A)
 1.31A 3hecA-3l0oA:
undetectable		 3hecA-3l0oA:
23.11
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.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		4 / 6 ARG A 387
ASP A 384
VAL A 320
ASP A 319
 None
IUM  A1103 (-2.7A)
None
None
 1.03A 4xqeA-1ct9A:
2.1		 4xqeA-1ct9A:
21.53
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		4 / 6 ARG A 387
ASP A 384
VAL A 320
ASP A 319
 None
IUM  A1103 (-2.7A)
None
None
 1.03A 4xqeB-1ct9A:
2.3		 4xqeB-1ct9A:
21.53
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		4 / 8 ARG A 387
ASP A 384
VAL A 320
ASP A 319
 None
IUM  A1103 (-2.7A)
None
None
 1.04A 4xqgA-1ct9A:
2.4		 4xqgA-1ct9A:
21.32
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.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		4 / 8 ARG A 387
ASP A 384
VAL A 320
ASP A 319
 None
IUM  A1103 (-2.7A)
None
None
 1.03A 4xqgB-1ct9A:
1.6		 4xqgB-1ct9A:
21.32