SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ico'

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.
1HK2_A_T44A3004_1
(SERUM ALBUMIN)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		4 / 7 ALA A 162
GLU A 165
LEU A 164
VAL A 220
 None
 0.89A 1hk2A-3icoA:
undetectable		 1hk2A-3icoA:
19.80
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.
1HK3_A_T44A3003_1
(SERUM ALBUMIN)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		3 / 4 LYS A 206
ALA A 209
MET A 147
 None
 0.72A 1hk3A-3icoA:
undetectable		 1hk3A-3icoA:
19.80
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.
1MT1_C_AG2C7004_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		4 / 6 ALA A  25
LEU A 144
LEU A  53
LEU A  67
 None
 0.95A 1mt1D-3icoA:
undetectable
1mt1E-3icoA:
undetectable		 1mt1D-3icoA:
18.49
1mt1E-3icoA:
11.94
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.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		4 / 7 TYR A 123
ASN A  83
HIS A 152
GLY A  43
 None
None
SO4  A 248 (-3.8A)
None
 1.31A 1mxgA-3icoA:
undetectable		 1mxgA-3icoA:
21.38
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.
1S14_B_NOVB2300_1
(TOPOISOMERASE IV
SUBUNIT B)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 111
ASP A 109
ASP A 174
ILE A 184
ARG A 182
 None
 1.38A 1s14B-3icoA:
undetectable		 1s14B-3icoA:
21.99
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.
1S14_B_NOVB2300_1
(TOPOISOMERASE IV
SUBUNIT B)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 111
ASP A 174
ALA A 172
ILE A 184
ARG A 182
 None
 1.33A 1s14B-3icoA:
undetectable		 1s14B-3icoA:
21.99
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.
1VE3_A_SAMA302_0
(HYPOTHETICAL PROTEIN
PH0226)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		5 / 12 TYR A 123
GLY A  70
ALA A  87
ARG A  88
ILE A  38
 None
 1.13A 1ve3A-3icoA:
undetectable		 1ve3A-3icoA:
19.93
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.
2AVS_B_MK1B902_1
(POL POLYPROTEIN)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  67
ALA A  36
VAL A 142
GLY A  24
ILE A  38
 None
 0.87A 2avsA-3icoA:
undetectable		 2avsA-3icoA:
16.79
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.
2CML_B_ZMRB2478_1
(NEURAMINIDASE)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		4 / 8 SER A  11
ASP A  10
SER A 202
ASN A  45
 None
 1.14A 2cmlB-3icoA:
undetectable		 2cmlB-3icoA:
18.83
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.
2I2Z_A_SALA1100_1
(SERUM ALBUMIN)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		4 / 5 LEU A  67
LEU A  22
ILE A  26
ILE A  60
 None
 0.71A 2i2zA-3icoA:
undetectable		 2i2zA-3icoA:
19.80
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.
3OU6_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A  72
TRP A  69
SER A 176
ASP A 174
LEU A 116
 None
 1.23A 3ou6C-3icoA:
undetectable		 3ou6C-3icoA:
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.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  70
THR A 185
VAL A 102
ASN A  83
LEU A  92
 None
 1.18A 3v8vA-3icoA:
undetectable		 3v8vA-3icoA:
19.08
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.
4KLA_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		4 / 7 ARG A  33
SER A   4
VAL A 142
TRP A 198
 None
 1.47A 4klaA-3icoA:
undetectable		 4klaA-3icoA:
20.87
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.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 229
LEU A 234
ILE A 191
HIS A 143
GLY A 226
 None
 1.04A 5d4uA-3icoA:
4.4		 5d4uA-3icoA:
21.33
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.
5D4U_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 229
LEU A 234
ILE A 191
HIS A 143
GLY A 226
 None
 1.05A 5d4uB-3icoA:
4.4		 5d4uB-3icoA:
21.33
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.
5N0X_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		3 / 3 SER A 160
ALA A 162
THR A 185
 None
 0.75A 5n0xB-3icoA:
undetectable		 5n0xB-3icoA:
24.43
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.
5NZX_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		4 / 8 THR A 233
GLN A 192
ILE A 191
GLY A 229
 None
 0.90A 5nzxA-3icoA:
undetectable		 5nzxA-3icoA:
18.89
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_CE3A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 3ico 6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacterium
tuberculosis) 		4 / 7 THR A 233
GLN A 192
ILE A 191
GLY A 229
 None
 0.93A 5nzyA-3icoA:
2.2		 5nzyA-3icoA:
18.89