SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3sgi'

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.
1D4F_A_ADNA601_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 269
HIS A 250
THR A 267
GLU A 121
LEU A 254
 None
None
None
AMP  A 616 ( 3.9A)
None
 1.34A 1d4fA-3sgiA:
undetectable		 1d4fA-3sgiA:
22.66
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.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 269
HIS A 250
THR A 267
GLU A 121
LEU A 254
 None
None
None
AMP  A 616 ( 3.9A)
None
 1.37A 1d4fC-3sgiA:
undetectable		 1d4fC-3sgiA:
22.66
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.
1D4F_D_ADND604_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 269
HIS A 250
THR A 267
GLU A 121
LEU A 254
 None
None
None
AMP  A 616 ( 3.9A)
None
 1.33A 1d4fD-3sgiA:
undetectable		 1d4fD-3sgiA:
22.66
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.
1L2I_B_CCSB417_0
(ESTROGEN RECEPTOR)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		4 / 6 PRO A 174
PHE A 244
GLU A 242
VAL A 178
 None
 1.33A 1l2iB-3sgiA:
undetectable		 1l2iB-3sgiA:
16.83
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		4 / 7 ALA A 258
TYR A 173
TYR A 253
PHE A 244
 None
 1.06A 2ajvH-3sgiA:
2.3
2ajvL-3sgiA:
undetectable		 2ajvH-3sgiA:
16.53
2ajvL-3sgiA:
15.96
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.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		4 / 7 GLY A  75
PHE A  80
ASP A 152
THR A 143
 None
 1.08A 2aouB-3sgiA:
undetectable		 2aouB-3sgiA:
17.82
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.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		4 / 7 GLU A  55
ARG A  62
GLU A  56
GLU A  52
 None
 1.29A 2zt7A-3sgiA:
undetectable		 2zt7A-3sgiA:
22.37
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.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		4 / 8 LEU A 306
GLY A 113
HIS A 117
TYR A 118
 None
 1.03A 3af0A-3sgiA:
undetectable		 3af0A-3sgiA:
20.90
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		4 / 6 THR A 149
VAL A  83
GLU A 180
SER A 142
 None
 1.05A 3b6rB-3sgiA:
undetectable		 3b6rB-3sgiA:
22.19
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.
3BGD_A_PM6A301_1
(THIOPURINE
S-METHYLTRANSFERASE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		4 / 6 PHE A 186
GLY A 126
ALA A 214
PRO A 210
 None
 1.00A 3bgdA-3sgiA:
undetectable		 3bgdA-3sgiA:
18.47
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.
3ELZ_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A 124
GLY A 183
TYR A 253
LEU A  92
 AMP  A 616 (-4.9A)
None
None
AMP  A 616 (-4.4A)
 0.93A 3elzA-3sgiA:
undetectable		 3elzA-3sgiA:
11.51
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.
3QWU_A_ADNA501_1
(DNA LIGASE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 121
ARG A 144
GLU A 184
VAL A 298
LYS A 300
 AMP  A 616 ( 3.9A)
AMP  A 616 (-3.8A)
AMP  A 616 (-3.7A)
AMP  A 616 (-4.6A)
AMP  A 616 ( 3.9A)
 1.00A 3qwuA-3sgiA:
10.4		 3qwuA-3sgiA:
19.78
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.
3QWU_A_ADNA501_1
(DNA LIGASE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 121
LYS A 123
ARG A 144
VAL A 298
LYS A 300
 AMP  A 616 ( 3.9A)
AMP  A 616 (-1.6A)
AMP  A 616 (-3.8A)
AMP  A 616 (-4.6A)
AMP  A 616 ( 3.9A)
 1.31A 3qwuA-3sgiA:
10.4		 3qwuA-3sgiA:
19.78
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.
3QWU_B_ADNB501_1
(DNA LIGASE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		6 / 11 GLU A 121
LYS A 123
ARG A 144
GLU A 184
VAL A 298
LYS A 300
 AMP  A 616 ( 3.9A)
AMP  A 616 (-1.6A)
AMP  A 616 (-3.8A)
AMP  A 616 (-3.7A)
AMP  A 616 (-4.6A)
AMP  A 616 ( 3.9A)
 0.97A 3qwuB-3sgiA:
5.8		 3qwuB-3sgiA:
19.78
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.
4O2B_B_LOCB503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		3 / 3 SER A 130
ALA A 128
VAL A 127
 None
AMP  A 616 ( 3.8A)
None
 0.45A 4o2bA-3sgiA:
undetectable		 4o2bA-3sgiA:
21.51
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.
4X1I_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		3 / 3 SER A 130
ALA A 128
VAL A 127
 None
AMP  A 616 ( 3.8A)
None
 0.50A 4x1iA-3sgiA:
undetectable		 4x1iA-3sgiA:
21.66
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.
5EYP_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		3 / 3 SER A 130
ALA A 128
VAL A 127
 None
AMP  A 616 ( 3.8A)
None
 0.47A 5eypA-3sgiA:
undetectable		 5eypA-3sgiA:
21.51
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.
5MVS_B_ADNB401_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		4 / 8 GLY A 399
ALA A 205
ASN A 209
PHE A 192
 None
 0.90A 5mvsB-3sgiA:
undetectable		 5mvsB-3sgiA:
20.72
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.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 218
GLU A 184
VAL A 185
THR A 143
GLU A 151
 None
AMP  A 616 (-3.7A)
None
None
None
 1.26A 5xipC-3sgiA:
undetectable		 5xipC-3sgiA:
21.47
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.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 218
GLU A 184
VAL A 185
THR A 143
GLU A 151
 None
AMP  A 616 (-3.7A)
None
None
None
 1.23A 5xipD-3sgiA:
undetectable		 5xipD-3sgiA:
21.47
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.
5XIW_D_LOCD503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA CHAIN)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		3 / 3 SER A 130
ALA A 128
VAL A 127
 None
AMP  A 616 ( 3.8A)
None
 0.45A 5xiwC-3sgiA:
undetectable		 5xiwC-3sgiA:
9.03
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.
5YK2_A_ERYA501_0
(PROBABLE CONSERVED
ATP-BINDING PROTEIN
ABC TRANSPORTER)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		5 / 11 ALA A 351
ALA A 366
PRO A 395
ILE A 387
VAL A 385
 None
 1.02A 5yk2A-3sgiA:
2.4		 5yk2A-3sgiA:
24.61
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.
6BZO_C_FI8C1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
RNA POLYMERASE SIGMA
FACTOR SIGA)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		4 / 4 LEU A 119
ASP A 302
GLN A 307
VAL A 185
 None
 1.34A 6bzoF-3sgiA:
2.3		 6bzoF-3sgiA:
26.32
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.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		 3sgi DNA LIGASE
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 129
ALA A 141
LEU A 231
THR A 226
 None
 0.94A 6f88B-3sgiA:
undetectable		 6f88B-3sgiA:
8.93