SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qi6'

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.
1GSE_A_EAAA224_1
(GLUTATHIONE
TRANSFERASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 12 ARG A 149
LEU A 150
LEU A 181
VAL A 201
PHE A 232
 None
 1.21A 1gseA-3qi6A:
undetectable		 1gseA-3qi6A:
22.11
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.
1HWI_A_115A2_2
(HMG-COA REDUCTASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 8 HIS A 279
LEU A 387
ALA A 386
LEU A 324
 None
 0.89A 1hwiB-3qi6A:
undetectable		 1hwiB-3qi6A:
21.78
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.
1HWI_C_115C4_2
(HMG-COA REDUCTASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 8 HIS A 279
LEU A 387
ALA A 386
LEU A 324
 None
 0.89A 1hwiD-3qi6A:
undetectable		 1hwiD-3qi6A:
21.78
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.
1HWI_D_115D3_1
(HMG-COA REDUCTASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 8 HIS A 279
LEU A 387
ALA A 386
LEU A 324
 None
 0.89A 1hwiC-3qi6A:
undetectable		 1hwiC-3qi6A:
21.78
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.
1KNY_A_KANA558_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 7 SER A 214
ASP A 215
GLU A 341
GLU A 374
 None
 1.12A 1knyA-3qi6A:
undetectable
1knyB-3qi6A:
undetectable		 1knyA-3qi6A:
20.88
1knyB-3qi6A:
20.88
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.
1QKN_A_RALA600_2
(ESTROGEN RECEPTOR
BETA)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		3 / 3 ASP A  91
LEU A  94
HIS A 352
 None
None
SO4  A 390 (-4.0A)
 0.66A 1qknA-3qi6A:
undetectable		 1qknA-3qi6A:
22.35
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.
1TYR_B_9CRB130_1
(TRANSTHYRETIN)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 7 LEU A 203
THR A 207
LEU A 221
VAL A 217
 None
LLP  A 208 (-3.4A)
None
LLP  A 208 ( 4.9A)
 0.96A 1tyrB-3qi6A:
undetectable		 1tyrB-3qi6A:
17.20
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.
2WX2_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 7 PHE A  83
ALA A  89
ALA A  93
LEU A 228
 None
 0.81A 2wx2A-3qi6A:
undetectable		 2wx2A-3qi6A:
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.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 8 PHE A  83
ALA A  89
ALA A  93
LEU A 228
 None
 0.87A 2wx2B-3qi6A:
undetectable		 2wx2B-3qi6A:
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.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		3 / 3 MET A 262
VAL A 371
GLU A 267
 None
 0.56A 3c6gA-3qi6A:
undetectable		 3c6gA-3qi6A:
22.20
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 12 GLY A 308
ALA A 190
LEU A 191
VAL A 310
VAL A 272
 None
GOL  A 392 (-3.6A)
GOL  A 392 (-4.8A)
None
None
 1.08A 3dmhA-3qi6A:
2.4		 3dmhA-3qi6A:
26.65
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.
3FHJ_A_TRPA1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 10 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.31A 3fhjA-3qi6A:
undetectable		 3fhjA-3qi6A:
22.25
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.
3FHJ_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 10 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.31A 3fhjB-3qi6A:
undetectable		 3fhjB-3qi6A:
22.25
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.
3FHJ_C_TRPC1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 10 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.31A 3fhjC-3qi6A:
undetectable		 3fhjC-3qi6A:
22.25
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.
3FHJ_D_TRPD1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.31A 3fhjD-3qi6A:
undetectable		 3fhjD-3qi6A:
22.25
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.
3FHJ_E_TRPE1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 10 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.31A 3fhjE-3qi6A:
undetectable		 3fhjE-3qi6A:
22.25
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.
3FHJ_F_TRPF1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.32A 3fhjF-3qi6A:
undetectable		 3fhjF-3qi6A:
22.25
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.
3FI0_A_TRPA1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.37A 3fi0A-3qi6A:
undetectable		 3fi0A-3qi6A:
22.25
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.
3FI0_C_TRPC1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.32A 3fi0C-3qi6A:
undetectable		 3fi0C-3qi6A:
22.25
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.
3FI0_D_TRPD1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.32A 3fi0D-3qi6A:
undetectable		 3fi0D-3qi6A:
22.25
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.
3FI0_F_TRPF1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.34A 3fi0F-3qi6A:
undetectable		 3fi0F-3qi6A:
22.25
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.
3FI0_J_TRPJ1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.33A 3fi0J-3qi6A:
undetectable		 3fi0J-3qi6A:
22.25
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.
3FI0_K_TRPK1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.32A 3fi0K-3qi6A:
undetectable		 3fi0K-3qi6A:
22.25
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.
3FI0_L_TRPL1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.35A 3fi0L-3qi6A:
undetectable		 3fi0L-3qi6A:
22.25
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.
3FI0_M_TRPM1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.31A 3fi0M-3qi6A:
undetectable		 3fi0M-3qi6A:
22.25
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.
3FI0_N_TRPN1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.36A 3fi0N-3qi6A:
undetectable		 3fi0N-3qi6A:
22.25
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.
3FI0_O_TRPO1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.32A 3fi0O-3qi6A:
undetectable		 3fi0O-3qi6A:
22.25
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.
3FI0_R_TRPR1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.32A 3fi0R-3qi6A:
undetectable		 3fi0R-3qi6A:
22.25
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.
3GCS_A_BAXA401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 12 LEU A  98
LEU A  94
ILE A 118
THR A 114
HIS A 103
 None
 0.93A 3gcsA-3qi6A:
undetectable		 3gcsA-3qi6A:
21.85
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 8 ILE A 282
ALA A 273
LEU A 276
LEU A 324
 None
 0.88A 3ozwA-3qi6A:
undetectable		 3ozwA-3qi6A:
22.43
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 12 GLY A 211
ALA A 220
ALA A  82
LEU A 250
LEU A  67
 LLP  A 208 ( 4.2A)
None
None
None
None
 0.96A 3p2kA-3qi6A:
undetectable		 3p2kA-3qi6A:
18.48
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 12 CYH A 325
THR A 328
ILE A 332
LEU A 369
VAL A 312
 None
 1.24A 3sp9A-3qi6A:
undetectable		 3sp9A-3qi6A:
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.
3SP9_B_IL2B901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 12 CYH A 325
THR A 328
ILE A 332
LEU A 369
VAL A 312
 None
 1.23A 3sp9B-3qi6A:
undetectable		 3sp9B-3qi6A:
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.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 6 GLY A  86
VAL A 217
SER A  85
THR A 207
 LLP  A 208 ( 3.4A)
LLP  A 208 ( 4.9A)
LLP  A 208 ( 3.5A)
LLP  A 208 (-3.4A)
 1.14A 3tj7A-3qi6A:
undetectable
3tj7B-3qi6A:
undetectable		 3tj7A-3qi6A:
17.09
3tj7B-3qi6A:
17.09
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.
3TJ7_C_ACTC606_0
(GBAA_1210 PROTEIN)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 6 GLY A  86
VAL A 217
SER A  85
THR A 207
 LLP  A 208 ( 3.4A)
LLP  A 208 ( 4.9A)
LLP  A 208 ( 3.5A)
LLP  A 208 (-3.4A)
 1.13A 3tj7C-3qi6A:
undetectable
3tj7D-3qi6A:
undetectable		 3tj7C-3qi6A:
17.09
3tj7D-3qi6A:
17.09
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.
3TJ7_D_ACTD605_0
(GBAA_1210 PROTEIN)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 6 VAL A 217
SER A  85
THR A 207
GLY A  86
 LLP  A 208 ( 4.9A)
LLP  A 208 ( 3.5A)
LLP  A 208 (-3.4A)
LLP  A 208 ( 3.4A)
 1.12A 3tj7C-3qi6A:
undetectable
3tj7D-3qi6A:
undetectable		 3tj7C-3qi6A:
17.09
3tj7D-3qi6A:
17.09
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.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 7 VAL A 140
ILE A 151
THR A 155
THR A 157
 None
 1.09A 3tneB-3qi6A:
undetectable		 3tneB-3qi6A:
20.10
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.
3UG8_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		3 / 3 TYR A 129
GLU A 154
TYR A 111
 None
LLP  A 208 ( 4.2A)
LLP  A 208 (-3.7A)
 0.86A 3ug8A-3qi6A:
undetectable		 3ug8A-3qi6A:
21.45
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.
4QVY_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 10 ALA A  89
ALA A  93
GLY A 113
THR A 114
ASP A 183
 None
None
SO4  A 390 ( 4.4A)
None
LLP  A 208 ( 3.1A)
 1.04A 4qvyK-3qi6A:
undetectable
4qvyL-3qi6A:
undetectable		 4qvyK-3qi6A:
20.20
4qvyL-3qi6A:
22.25
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.
4QVY_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 10 ALA A  89
ALA A  93
GLY A 113
THR A 114
ASP A 183
 None
None
SO4  A 390 ( 4.4A)
None
LLP  A 208 ( 3.1A)
 1.04A 4qvyY-3qi6A:
undetectable
4qvyZ-3qi6A:
undetectable		 4qvyY-3qi6A:
20.20
4qvyZ-3qi6A:
22.25
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.
5ICX_E_SC2E1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		3 / 3 VAL A 367
GLN A 323
CYH A 325
 None
 0.60A 5icxA-3qi6A:
undetectable
5icxE-3qi6A:
undetectable		 5icxA-3qi6A:
19.27
5icxE-3qi6A:
3.35
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.
5IGI_A_ZITA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		4 / 6 PRO A 156
HIS A 265
GLU A 374
ALA A 271
 None
 1.10A 5igiA-3qi6A:
undetectable		 5igiA-3qi6A:
23.97
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		3 / 3 LEU A 337
TYR A 111
SER A 205
 LLP  A 208 (-4.2A)
LLP  A 208 (-3.7A)
LLP  A 208 ( 2.7A)
 0.88A 5iktA-3qi6A:
undetectable		 5iktA-3qi6A:
20.51
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.
5V0I_A_TRPA402_0
(TRYPTOPHAN--TRNA
LIGASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
GLN A 192
 None
 1.46A 5v0iA-3qi6A:
undetectable		 5v0iA-3qi6A:
22.48
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.
5V0I_B_TRPB402_0
(TRYPTOPHAN--TRNA
LIGASE)		 3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)
(Mycobacterium
ulcerans) 		5 / 9 VAL A 298
ASP A 165
ILE A 169
VAL A 153
GLN A 192
 None
 1.44A 5v0iB-3qi6A:
undetectable		 5v0iB-3qi6A:
22.48