SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3dev'

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.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3dev SH1221
(Staphylococcus
haemolyticus) 		4 / 8 TYR A 152
PHE A 131
THR A 167
PHE A 162
 None
 1.06A 1ykiA-3devA:
undetectable
1ykiB-3devA:
undetectable		 1ykiA-3devA:
20.86
1ykiB-3devA:
20.86
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)		 3dev SH1221
(Staphylococcus
haemolyticus) 		4 / 8 THR A 167
PHE A 162
TYR A 152
PHE A 131
 None
 1.06A 1ykiA-3devA:
undetectable
1ykiB-3devA:
undetectable		 1ykiA-3devA:
20.86
1ykiB-3devA:
20.86
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_C_NFZC3219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3dev SH1221
(Staphylococcus
haemolyticus) 		4 / 8 TYR A 152
PHE A 131
THR A 167
PHE A 162
 None
 1.08A 1ykiC-3devA:
undetectable
1ykiD-3devA:
undetectable		 1ykiC-3devA:
20.86
1ykiD-3devA:
20.86
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)		 3dev SH1221
(Staphylococcus
haemolyticus) 		4 / 8 THR A 167
PHE A 162
TYR A 152
PHE A 131
 None
 1.02A 1ykiC-3devA:
undetectable
1ykiD-3devA:
undetectable		 1ykiC-3devA:
20.86
1ykiD-3devA:
20.86
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.
2QE6_A_SAMA400_1
(UNCHARACTERIZED
PROTEIN TFU_2867)		 3dev SH1221
(Staphylococcus
haemolyticus) 		3 / 3 ASN A  86
ARG A  89
ASP A  27
 None
None
MG  A 323 ( 4.1A)
 0.98A 2qe6A-3devA:
1.8		 2qe6A-3devA:
22.32
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.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		 3dev SH1221
(Staphylococcus
haemolyticus) 		4 / 8 GLU A 302
GLN A 220
VAL A 293
CYH A 266
 None
 0.84A 3b9lA-3devA:
undetectable		 3b9lA-3devA:
17.04
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 3dev SH1221
(Staphylococcus
haemolyticus) 		4 / 5 HIS A 107
ASP A  83
HIS A 106
ASP A  29
 None
MG  A 323 (-2.7A)
MG  A 323 (-3.6A)
MG  A 323 (-3.5A)
 1.24A 3c0zA-3devA:
undetectable		 3c0zA-3devA:
21.43
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.
4EYR_B_RITB301_2
(HIV-1 PROTEASE)		 3dev SH1221
(Staphylococcus
haemolyticus) 		4 / 8 ARG A 267
GLY A 284
ALA A 279
ASP A 277
 SO4  A 322 (-4.3A)
None
None
None
 0.83A 4eyrB-3devA:
undetectable		 4eyrB-3devA:
17.02
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.
4NQA_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3dev SH1221
(Staphylococcus
haemolyticus) 		5 / 11 ILE A 268
ALA A 279
LEU A 308
ALA A 307
VAL A 242
 None
 1.08A 4nqaA-3devA:
undetectable		 4nqaA-3devA:
21.59
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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)		 3dev SH1221
(Staphylococcus
haemolyticus) 		5 / 11 GLN A 112
VAL A  81
ASP A  83
TYR A 113
LEU A 101
 None
None
MG  A 323 (-2.7A)
None
None
 1.45A 5jh7B-3devA:
undetectable		 5jh7B-3devA:
23.23
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.
5JH7_D_6K9D502_0
(TUBULIN BETA-2B
CHAIN)		 3dev SH1221
(Staphylococcus
haemolyticus) 		5 / 11 GLN A 112
VAL A  81
ASP A  83
TYR A 113
LEU A 101
 None
None
MG  A 323 (-2.7A)
None
None
 1.45A 5jh7D-3devA:
undetectable		 5jh7D-3devA:
23.23
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.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 3dev SH1221
(Staphylococcus
haemolyticus) 		5 / 12 VAL A 258
ASP A 259
GLU A 260
ALA A 238
SER A 239
 None
 1.30A 5m54B-3devA:
undetectable		 5m54B-3devA:
21.23
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.
5M5C_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 3dev SH1221
(Staphylococcus
haemolyticus) 		5 / 10 VAL A 258
ASP A 259
GLU A 260
ALA A 238
SER A 239
 None
 1.26A 5m5cE-3devA:
undetectable		 5m5cE-3devA:
21.23
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.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3dev SH1221
(Staphylococcus
haemolyticus) 		4 / 6 ASP A 105
HIS A 106
HIS A 107
HIS A  23
 None
MG  A 323 (-3.6A)
None
None
 0.94A 5ncdA-3devA:
undetectable
5ncdD-3devA:
undetectable		 5ncdA-3devA:
21.82
5ncdD-3devA:
21.82
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.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3dev SH1221
(Staphylococcus
haemolyticus) 		4 / 6 ASP A 105
HIS A 106
HIS A 107
HIS A  23
 None
MG  A 323 (-3.6A)
None
None
 0.93A 5nelA-3devA:
undetectable
5nelD-3devA:
undetectable		 5nelA-3devA:
21.82
5nelD-3devA:
21.82
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.
5Z12_C_9CRC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3dev SH1221
(Staphylococcus
haemolyticus) 		6 / 12 ILE A 268
ALA A 279
GLN A 281
LEU A 308
ALA A 307
VAL A 242
 None
 1.07A 5z12C-3devA:
undetectable		 5z12C-3devA:
12.26
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.
5ZV2_B_LEVB801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 3dev SH1221
(Staphylococcus
haemolyticus) 		3 / 3 TYR A  40
LEU A 151
ASP A  29
 None
None
MG  A 323 (-3.5A)
 0.86A 5zv2B-3devA:
undetectable		 5zv2B-3devA:
14.49