SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4g81'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4g81 PUTATIVE HEXONATE
DEHYDROGENASE
(Salmonella
enterica) 		6 / 10 GLY D  17
ALA D  19
ASP D  41
ASP D  67
VAL D  68
ALA D  95
 None
 0.56A 1uayB-4g81D:
28.7		 1uayB-4g81D:
31.37
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4g81 PUTATIVE HEXONATE
DEHYDROGENASE
(Salmonella
enterica) 		5 / 12 GLY D  17
ASP D  41
ASP D  67
ASN D  94
ALA D  95
 None
 0.94A 2bm9E-4g81D:
5.7		 2bm9E-4g81D:
19.34
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.
2OIQ_A_STIA1001_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4g81 PUTATIVE HEXONATE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 5 LEU D 194
VAL D  51
LEU D  47
MET D 197
 None
 1.03A 2oiqA-4g81D:
undetectable		 2oiqA-4g81D:
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.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4g81 PUTATIVE HEXONATE
DEHYDROGENASE
(Salmonella
enterica) 		5 / 10 ASP D  41
ILE D  42
ALA D  19
ASP D  67
VAL D  68
 None
 1.08A 3ay0A-4g81D:
7.0		 3ay0A-4g81D:
23.08
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.
3OF4_B_ACTB313_0
(NITROREDUCTASE)		 4g81 PUTATIVE HEXONATE
DEHYDROGENASE
(Salmonella
enterica) 		3 / 3 ALA D 158
VAL D 157
GLN D  98
 None
 0.74A 3of4B-4g81D:
undetectable		 3of4B-4g81D:
23.66
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.
4EAT_A_BEZA1000_0
(BENZOATE-COENZYME A
LIGASE)		 4g81 PUTATIVE HEXONATE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 ALA D 187
ILE D 145
GLY D 146
ILE D 167
 None
 0.68A 4eatA-4g81D:
3.4		 4eatA-4g81D:
21.25
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.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)		 4g81 PUTATIVE HEXONATE
DEHYDROGENASE
(Salmonella
enterica) 		5 / 12 GLY D  63
ALA D  27
SER D  18
VAL D 125
PHE D  66
 None
 1.04A 4wnwB-4g81D:
undetectable		 4wnwB-4g81D:
22.27
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.
5KQR_A_SAMA301_0
(METHYLTRANSFERASE)		 4g81 PUTATIVE HEXONATE
DEHYDROGENASE
(Salmonella
enterica) 		5 / 12 GLY D  21
GLY D  96
GLY D  17
GLY D  23
ILE D  97
 None
 0.95A 5kqrA-4g81D:
5.3		 5kqrA-4g81D:
23.79
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.
5MVM_A_PFLA511_1
(PROTON-GATED ION
CHANNEL)		 4g81 PUTATIVE HEXONATE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 ALA D  32
ILE D 227
ALA D 230
ILE D 231
 None
 0.58A 5mvmA-4g81D:
undetectable
5mvmB-4g81D:
undetectable		 5mvmA-4g81D:
15.58
5mvmB-4g81D:
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.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)		 4g81 PUTATIVE HEXONATE
DEHYDROGENASE
(Salmonella
enterica) 		5 / 12 GLY D  21
GLY D  96
GLY D  17
GLY D  23
ILE D  97
 None
 0.95A 5vimA-4g81D:
5.5		 5vimA-4g81D:
22.26
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.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 4g81 PUTATIVE HEXONATE
DEHYDROGENASE
(Salmonella
enterica) 		5 / 12 ASP D 249
GLY D 191
THR D 161
ALA D 254
VAL D 255
 None
EDO  D 301 (-4.4A)
None
None
None
 1.04A 5x66F-4g81D:
undetectable		 5x66F-4g81D:
23.85