SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4hcy'

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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 6 CYH A 348
VAL A 345
GLY A 162
GLN A 165
 None
 1.14A 1ekjC-4hcyA:
undetectable
1ekjD-4hcyA:
undetectable		 1ekjC-4hcyA:
20.73
1ekjD-4hcyA:
20.73
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.
1ZZQ_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 5 GLY A 252
GLN A 166
VAL A 332
SER A 119
 None
 1.34A 1zzqB-4hcyA:
undetectable		 1zzqB-4hcyA:
20.73
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.
1ZZU_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 5 GLY A 252
GLN A 166
VAL A 332
SER A 119
 None
 1.47A 1zzuB-4hcyA:
undetectable		 1zzuB-4hcyA:
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.
2QD4_A_CHDA803_0
(FERROCHELATASE)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 5 LEU A  16
PRO A  17
LEU A  28
ILE A  32
 None
 0.61A 2qd4A-4hcyA:
undetectable		 2qd4A-4hcyA:
23.72
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.
2YGN_A_ACTA1181_0
(WNT INHIBITORY
FACTOR 1)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		3 / 3 TYR A  47
VAL A 281
THR A  38
 None
 0.89A 2ygnA-4hcyA:
undetectable		 2ygnA-4hcyA:
17.96
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.
3Q1E_C_T44C128_1
(5-HYDROXYISOURATE
HYDROLASE)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 6 LEU A 117
LEU A 301
LEU A 292
LEU A 311
 None
 1.11A 3q1eA-4hcyA:
undetectable
3q1eC-4hcyA:
undetectable		 3q1eA-4hcyA:
15.38
3q1eC-4hcyA:
15.38
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.
3SU9_A_ACTA426_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		3 / 3 GLN A 130
GLU A 137
LYS A 141
 None
 1.19A 3su9A-4hcyA:
undetectable		 3su9A-4hcyA:
23.27
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.
3W67_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		5 / 12 LEU A   8
VAL A 281
LEU A 285
ILE A  32
LEU A  16
 None
 1.25A 3w67D-4hcyA:
undetectable		 3w67D-4hcyA:
21.49
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.
4F4D_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 4 LEU A  16
PRO A  17
LEU A  28
ILE A  32
 None
 0.66A 4f4dB-4hcyA:
undetectable		 4f4dB-4hcyA:
23.72
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.
4IIL_A_RBFA401_2
(MEMBRANE LIPOPROTEIN
TPN38(B))		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 8 VAL A  10
PRO A  37
GLN A 115
ILE A 282
 None
 1.01A 4iilA-4hcyA:
2.4		 4iilA-4hcyA:
20.25
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.
4KYS_A_VIBA501_1
(THIAMINE
PYRIDINYLASE I)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		5 / 10 ASP A  68
TYR A 230
TYR A 260
ASP A 262
LEU A  16
 0YN  A 401 (-3.5A)
0YN  A 401 (-3.9A)
0YN  A 401 ( 4.1A)
0YN  A 401 (-2.9A)
None
 1.33A 4kysA-4hcyA:
32.7		 4kysA-4hcyA:
23.57
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.
4KYS_A_VIBA501_1
(THIAMINE
PYRIDINYLASE I)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		6 / 10 TYR A  53
ASP A  68
TYR A 230
GLU A 232
TYR A 260
ASP A 262
 0YN  A 401 (-3.8A)
0YN  A 401 (-3.5A)
0YN  A 401 (-3.9A)
0YN  A 401 (-3.1A)
0YN  A 401 ( 4.1A)
0YN  A 401 (-2.9A)
 0.61A 4kysA-4hcyA:
32.7		 4kysA-4hcyA:
23.57
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.
4KYS_B_VIBB501_1
(THIAMINE
PYRIDINYLASE I)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		5 / 11 ASP A  68
TYR A 230
TYR A 260
ASP A 262
LEU A  16
 0YN  A 401 (-3.5A)
0YN  A 401 (-3.9A)
0YN  A 401 ( 4.1A)
0YN  A 401 (-2.9A)
None
 1.33A 4kysB-4hcyA:
32.7		 4kysB-4hcyA:
23.57
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.
4KYS_B_VIBB501_1
(THIAMINE
PYRIDINYLASE I)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		6 / 11 TYR A  53
ASP A  68
TYR A 230
GLU A 232
TYR A 260
ASP A 262
 0YN  A 401 (-3.8A)
0YN  A 401 (-3.5A)
0YN  A 401 (-3.9A)
0YN  A 401 (-3.1A)
0YN  A 401 ( 4.1A)
0YN  A 401 (-2.9A)
 0.60A 4kysB-4hcyA:
32.7		 4kysB-4hcyA:
23.57
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.
4L4A_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 8 THR A  93
THR A 261
LEU A  96
VAL A 100
 None
 0.94A 4l4aA-4hcyA:
undetectable		 4l4aA-4hcyA:
21.97
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.
4L4A_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 8 THR A 253
THR A 205
LEU A 163
VAL A 152
 None
 1.00A 4l4aA-4hcyA:
undetectable		 4l4aA-4hcyA:
21.97
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.
4L4C_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 8 THR A 253
LEU A 163
VAL A 152
ILE A 147
 None
 0.88A 4l4cB-4hcyA:
undetectable		 4l4cB-4hcyA:
21.97
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.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 7 GLY A 296
ASP A 293
GLY A 307
ILE A 308
 None
 0.66A 5kqyB-4hcyA:
undetectable		 5kqyB-4hcyA:
13.84
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.
5KR1_B_017B101_2
(PROTEASE PR5-DRV)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 8 GLY A 296
ASP A 293
GLY A 307
ILE A 308
 None
 0.66A 5kr1B-4hcyA:
undetectable		 5kr1B-4hcyA:
15.05
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.
5NZY_A_CE3A1103_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 8 PRO A 126
TYR A 246
VAL A 217
GLY A 220
 None
 0.93A 5nzyA-4hcyA:
undetectable		 5nzyA-4hcyA:
21.28
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.
5VUN_A_ACTA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4hcy THIAMINASE-I
(Naegleria
gruberi) 		4 / 5 GLY A 252
GLN A 166
VAL A 332
SER A 119
 None
 1.46A 5vunA-4hcyA:
undetectable		 5vunA-4hcyA:
20.99