SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1kq3'

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.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 7 GLU A 332
THR A 259
VAL A 260
ALA A 253
 None
 1.07A 1fo4B-1kq3A:
0.0		 1fo4B-1kq3A:
14.98
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.
1KIA_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 ILE A 334
GLY A 257
GLY A 276
HIS A 269
LEU A 268
 None
None
None
ZN  A 401 ( 3.3A)
None
 0.98A 1kiaC-1kq3A:
2.4		 1kiaC-1kq3A:
22.54
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.
1NBH_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 ILE A 334
GLY A 257
GLY A 276
HIS A 269
LEU A 268
 None
None
None
ZN  A 401 ( 3.3A)
None
 0.97A 1nbhB-1kq3A:
2.3		 1nbhB-1kq3A:
22.54
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.
1NBH_D_SAMD3293_1
(GLYCINE
N-METHYLTRANSFERASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 ARG A  74
ASP A  41
ASN A  48
 None
 0.95A 1nbhD-1kq3A:
2.2		 1nbhD-1kq3A:
22.54
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.
1TT6_B_DESB128_1
(TRANSTHYRETIN)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 5 LEU A 238
ALA A 201
LEU A 241
SER A 245
 None
 1.11A 1tt6B-1kq3A:
undetectable		 1tt6B-1kq3A:
14.97
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.
1V8B_B_ADNB1502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 252
ASP A 169
THR A 118
LEU A 248
GLY A 247
 ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
TRS  A2922 ( 4.2A)
None
None
 1.26A 1v8bB-1kq3A:
2.5		 1v8bB-1kq3A:
23.00
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_B_ADNB1502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 GLU A 332
GLU A 325
LEU A 261
 None
 0.72A 1v8bB-1kq3A:
2.5		 1v8bB-1kq3A:
23.00
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_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 252
ASP A 169
THR A 118
LEU A 248
GLY A 247
 ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
TRS  A2922 ( 4.2A)
None
None
 1.32A 1v8bD-1kq3A:
2.2		 1v8bD-1kq3A:
23.00
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 8 TYR A 138
LEU A 125
HIS A 252
HIS A 269
ALA A 120
 None
None
ZN  A 401 (-3.2A)
ZN  A 401 ( 3.3A)
TRS  A2922 ( 4.0A)
 1.22A 2bnnA-1kq3A:
undetectable
2bnnB-1kq3A:
undetectable		 2bnnA-1kq3A:
20.48
2bnnB-1kq3A:
20.48
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.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 LEU A 303
CYH A 204
ASP A 169
ALA A 170
ALA A 234
 None
None
ZN  A 401 (-2.4A)
None
None
 1.15A 2br4A-1kq3A:
2.5		 2br4A-1kq3A:
17.99
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.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 8 ALA A 158
LYS A 157
LEU A  45
VAL A  44
 None
 0.90A 2bxgA-1kq3A:
undetectable		 2bxgA-1kq3A:
21.05
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.
2J9D_A_ACTA1117_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 ASP A 354
ARG A 355
ARG A 358
 None
 1.02A 2j9dA-1kq3A:
0.0
2j9dC-1kq3A:
0.0		 2j9dA-1kq3A:
16.33
2j9dC-1kq3A:
16.33
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.
2Q6O_B_SAMB500_0
(HYPOTHETICAL PROTEIN)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 6 ASP A  96
VAL A 127
PRO A 121
THR A 118
 None
None
None
TRS  A2922 ( 4.2A)
 1.32A 2q6oB-1kq3A:
undetectable		 2q6oB-1kq3A:
21.79
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.
2WKO_F_CUF154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 5 HIS A 255
HIS A 252
VAL A 273
HIS A 269
 None
ZN  A 401 (-3.2A)
None
ZN  A 401 ( 3.3A)
 1.06A 2wkoF-1kq3A:
undetectable		 2wkoF-1kq3A:
18.28
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 6 LEU A 208
THR A 207
LEU A 238
ASP A 169
 None
None
None
ZN  A 401 (-2.4A)
 1.00A 2wm3A-1kq3A:
3.5		 2wm3A-1kq3A:
22.87
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.
2YZQ_A_SAMA6075_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN PH1780)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 ILE A  89
ASP A  37
THR A 114
VAL A 112
ILE A 111
 None
 1.28A 2yzqA-1kq3A:
undetectable		 2yzqA-1kq3A:
24.48
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.
2ZTH_A_SAMA305_1
(CATECHOL
O-METHYLTRANSFERASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 SER A 239
GLU A 176
ASP A 169
 CL  A 501 (-3.6A)
None
ZN  A 401 (-2.4A)
 0.66A 2zthA-1kq3A:
undetectable		 2zthA-1kq3A:
20.16
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.
3BWM_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 SER A 239
GLU A 176
ASP A 169
 CL  A 501 (-3.6A)
None
ZN  A 401 (-2.4A)
 0.69A 3bwmA-1kq3A:
undetectable		 3bwmA-1kq3A:
20.48
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.
3BWY_A_SAMA301_1
(COMT PROTEIN)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 SER A 239
GLU A 176
ASP A 169
 CL  A 501 (-3.6A)
None
ZN  A 401 (-2.4A)
 0.63A 3bwyA-1kq3A:
undetectable		 3bwyA-1kq3A:
20.48
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.
3EM3_B_478B200_1
(PROTEASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 10 GLY A  92
VAL A 148
LEU A 125
VAL A 109
ILE A 111
 None
 0.92A 3em3A-1kq3A:
undetectable		 3em3A-1kq3A:
12.12
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.
3FL9_A_TOPA200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 10 ALA A 352
ALA A 250
ILE A 254
LEU A 258
TYR A 295
 None
 1.18A 3fl9A-1kq3A:
2.6		 3fl9A-1kq3A:
17.99
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.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 252
ASP A 169
THR A 118
LEU A 248
GLY A 247
 ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
TRS  A2922 ( 4.2A)
None
None
 1.27A 3g1uD-1kq3A:
2.6		 3g1uD-1kq3A:
22.40
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.
3G2O_A_SAMA500_0
(PCZA361.24)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 ALA A 170
GLY A 166
LEU A 171
GLY A 240
SER A 239
 None
None
None
None
CL  A 501 (-3.6A)
 0.94A 3g2oA-1kq3A:
undetectable		 3g2oA-1kq3A:
24.12
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.
3G2O_B_SAMB600_0
(PCZA361.24)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 ALA A 170
GLY A 166
LEU A 171
GLY A 240
SER A 239
 None
None
None
None
CL  A 501 (-3.6A)
 0.95A 3g2oB-1kq3A:
undetectable		 3g2oB-1kq3A:
24.12
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.
3PYY_A_STIA3_2
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 6 TYR A  11
VAL A  40
VAL A 155
ILE A  18
 None
 1.09A 3pyyA-1kq3A:
undetectable		 3pyyA-1kq3A:
23.41
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.
3UZZ_B_ASDB501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 8 HIS A 269
TYR A 138
LEU A 248
MET A 188
 ZN  A 401 ( 3.3A)
None
None
None
 1.39A 3uzzB-1kq3A:
undetectable		 3uzzB-1kq3A:
22.50
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.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 8 GLY A 168
GLY A 270
GLY A 276
ILE A 310
LEU A 258
 None
 0.78A 3v1nA-1kq3A:
2.5		 3v1nA-1kq3A:
22.28
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.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 255
GLY A 276
HIS A 252
ASP A 169
GLY A 270
 None
None
ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
None
 1.19A 4bz6C-1kq3A:
3.2		 4bz6C-1kq3A:
20.95
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.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 8 SER A 194
SER A 245
LEU A 203
ALA A 199
THR A 196
 None
 1.31A 4ikjA-1kq3A:
undetectable
4ikjB-1kq3A:
undetectable		 4ikjA-1kq3A:
14.97
4ikjB-1kq3A:
14.97
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.
4IKK_A_SUZA201_1
(TRANSTHYRETIN)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 8 LEU A 203
ALA A 199
THR A 196
SER A 194
SER A 245
 None
 1.26A 4ikkA-1kq3A:
undetectable
4ikkB-1kq3A:
undetectable		 4ikkA-1kq3A:
14.97
4ikkB-1kq3A:
14.97
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.
4KQ8_A_ASDA602_1
(CYTOCHROME P450 19A1)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 10 ILE A  18
ALA A  17
ASP A 151
THR A 152
VAL A 232
 None
 1.36A 4kq8A-1kq3A:
0.0		 4kq8A-1kq3A:
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.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 CYH A 298
LEU A 281
LEU A 278
ALA A 170
TYR A 205
 None
 1.13A 4lg1C-1kq3A:
undetectable		 4lg1C-1kq3A:
20.53
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.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 255
GLY A 276
HIS A 252
ASP A 169
GLY A 270
 None
None
ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
None
 1.24A 4qa2B-1kq3A:
3.0		 4qa2B-1kq3A:
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.
4XUD_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		3 / 3 SER A 239
GLU A 176
ASP A 169
 CL  A 501 (-3.6A)
None
ZN  A 401 (-2.4A)
 0.70A 4xudA-1kq3A:
2.8		 4xudA-1kq3A:
20.26
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.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 252
ASP A 169
THR A 118
LEU A 248
GLY A 247
 ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
TRS  A2922 ( 4.2A)
None
None
 1.32A 5axdA-1kq3A:
2.8		 5axdA-1kq3A:
22.72
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.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 252
ASP A 169
THR A 118
LEU A 248
GLY A 247
 ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
TRS  A2922 ( 4.2A)
None
None
 1.32A 5axdC-1kq3A:
2.8		 5axdC-1kq3A:
22.72
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 SER A 280
HIS A 255
GLY A 276
HIS A 252
ASP A 169
 None
None
None
ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
 1.31A 5eeiA-1kq3A:
undetectable		 5eeiA-1kq3A:
20.79
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 SER A 280
HIS A 255
GLY A 276
HIS A 252
ASP A 169
 None
None
None
ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
 1.31A 5eeiB-1kq3A:
undetectable		 5eeiB-1kq3A:
20.79
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 SER A 280
HIS A 255
HIS A 252
ASP A 169
GLY A 270
 None
None
ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
None
 1.21A 5eenA-1kq3A:
undetectable		 5eenA-1kq3A:
20.79
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.
5G08_A_Z80A1187_1
(FREQUENIN 2)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		4 / 6 ILE A 128
TYR A 129
PHE A 135
THR A 118
 None
None
None
TRS  A2922 ( 4.2A)
 1.14A 5g08A-1kq3A:
undetectable		 5g08A-1kq3A:
19.31
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.
5KPC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 GLY A 166
GLY A 168
LEU A 268
LEU A 163
ALA A 215
 None
 0.95A 5kpcA-1kq3A:
undetectable		 5kpcA-1kq3A:
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.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 252
ASP A 169
THR A 118
LEU A 248
GLY A 247
 ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
TRS  A2922 ( 4.2A)
None
None
 1.23A 5m66A-1kq3A:
2.2		 5m66A-1kq3A:
22.18
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.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 HIS A 252
ASP A 169
THR A 118
LEU A 248
GLY A 247
 ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
TRS  A2922 ( 4.2A)
None
None
 1.27A 5m66C-1kq3A:
2.5		 5m66C-1kq3A:
22.18
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.
5O4Y_D_CCSD14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2
PROGRAMMED CELL
DEATH 1 LIGAND 1)		 1kq3 GLYCEROL
DEHYDROGENASE
(Thermotoga
maritima) 		5 / 12 LEU A 163
GLU A 300
GLY A 212
VAL A 213
ARG A 217
 None
 1.27A 5o4yD-1kq3A:
undetectable
5o4yE-1kq3A:
undetectable		 5o4yD-1kq3A:
2.27
5o4yE-1kq3A:
18.71