SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2c5s'

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.
1HWI_A_115A2_2
(HMG-COA REDUCTASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		4 / 8 GLU A 217
HIS A 210
LEU A 241
LEU A 239
 None
 0.68A 1hwiB-2c5sA:
4.3		 1hwiB-2c5sA:
22.53
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.
1HWI_C_115C4_2
(HMG-COA REDUCTASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		4 / 8 GLU A 217
HIS A 210
LEU A 241
LEU A 239
 None
 0.69A 1hwiD-2c5sA:
4.2		 1hwiD-2c5sA:
22.53
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.
1HWI_D_115D3_1
(HMG-COA REDUCTASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		4 / 8 GLU A 217
HIS A 210
LEU A 241
LEU A 239
 None
 0.69A 1hwiC-2c5sA:
3.6		 1hwiC-2c5sA:
22.53
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		4 / 8 ARG A 314
GLU A 288
GLN A 292
SER A 300
 None
 1.09A 1nx9A-2c5sA:
undetectable		 1nx9A-2c5sA:
20.12
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		4 / 8 ARG A 314
GLU A 288
GLN A 292
SER A 300
 None
 1.06A 1nx9C-2c5sA:
undetectable		 1nx9C-2c5sA:
20.12
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.
1V8B_C_ADNC2502_2
(ADENOSYLHOMOCYSTEINA
SE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		3 / 3 GLU A 229
THR A 333
LEU A 184
 None
 0.73A 1v8bC-2c5sA:
2.3		 1v8bC-2c5sA:
22.22
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.
2NMZ_B_ROCB401_2
(PROTEASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		3 / 3 ARG A 314
VAL A 207
THR A 272
 None
 0.71A 2nmzA-2c5sA:
undetectable		 2nmzA-2c5sA:
12.11
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.
2NNK_A_ROCA401_2
(PROTEASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		3 / 3 ARG A 314
VAL A 207
THR A 272
 None
 0.71A 2nnkA-2c5sA:
undetectable		 2nnkA-2c5sA:
13.08
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.
3B7P_C_SPMC503_1
(SPERMIDINE SYNTHASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		5 / 12 TYR A 233
ASP A  68
GLU A 330
TYR A 195
ILE A 331
 None
 1.42A 3b7pC-2c5sA:
2.5		 3b7pC-2c5sA:
21.88
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		5 / 12 VAL A 312
ALA A 193
VAL A 307
ILE A 304
THR A 308
 None
 1.12A 3czhA-2c5sA:
undetectable		 3czhA-2c5sA:
22.94
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.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		3 / 3 ARG A 314
VAL A 207
THR A 272
 None
 0.62A 3k4vA-2c5sA:
undetectable		 3k4vA-2c5sA:
11.86
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.
3K4V_D_ROCD201_4
(HIV-1 PROTEASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		3 / 3 ARG A 314
VAL A 207
THR A 272
 None
 0.69A 3k4vD-2c5sA:
undetectable		 3k4vD-2c5sA:
11.86
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.
3NDT_A_ROCA101_2
(PROTEASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		3 / 3 ARG A 314
VAL A 207
THR A 272
 None
 0.54A 3ndtA-2c5sA:
undetectable		 3ndtA-2c5sA:
11.86
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.
3NDU_D_ROCD100_3
(PROTEASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		3 / 3 ARG A 314
VAL A 207
THR A 272
 None
 0.72A 3nduD-2c5sA:
undetectable		 3nduD-2c5sA:
11.86
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.
3PWR_A_ROCA401_2
(PROTEASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		3 / 3 ARG A 314
VAL A 207
THR A 272
 None
 0.73A 3pwrA-2c5sA:
undetectable		 3pwrA-2c5sA:
11.86
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.
3TL9_A_ROCA401_2
(PROTEASE)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		3 / 3 ARG A 314
VAL A 207
THR A 272
 None
 0.67A 3tl9A-2c5sA:
undetectable		 3tl9A-2c5sA:
12.65
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.
4A84_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		5 / 12 VAL A 207
ILE A 271
VAL A 247
ILE A 251
LEU A 183
 None
None
None
None
AMP  A1392 (-3.6A)
 1.16A 4a84A-2c5sA:
undetectable		 4a84A-2c5sA:
18.05
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.
5IGV_A_ZITA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		4 / 4 ASN A  55
ILE A 161
TYR A 160
PHE A  75
 None
 0.91A 5igvA-2c5sA:
undetectable		 5igvA-2c5sA:
20.96
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.
5KC0_A_RBFA303_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		3 / 3 LYS A  36
LEU A  66
ILE A  43
 None
 0.74A 5kc0A-2c5sA:
undetectable		 5kc0A-2c5sA:
19.39
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.
5KC4_A_RBFA201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII
(Bacillus
anthracis) 		3 / 3 LYS A  36
LEU A  66
ILE A  43
 None
 0.69A 5kc4A-2c5sA:
undetectable		 5kc4A-2c5sA:
19.71