SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2gqt'

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.
1ICV_D_NIOD706_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 5 GLU A 230
GLY A 189
SER A 228
PHE A 234
 None
 1.24A 1icvC-2gqtA:
undetectable
1icvD-2gqtA:
undetectable		 1icvC-2gqtA:
22.92
1icvD-2gqtA:
22.92
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.
1IGX_A_EPAA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 8 VAL A 183
ARG A 187
VAL A  87
ILE A 104
 None
FAD  A 601 (-2.7A)
None
FAD  A 601 (-4.1A)
 0.91A 1igxA-2gqtA:
undetectable		 1igxA-2gqtA:
20.00
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.
1JG2_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		5 / 12 GLY A  19
GLY A  17
GLY A  56
ALA A 243
VAL A 246
 None
 0.94A 1jg2A-2gqtA:
undetectable		 1jg2A-2gqtA:
25.09
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		5 / 9 LEU A 127
VAL A 108
VAL A 161
GLY A 109
LEU A 166
 None
None
FAD  A 601 (-3.9A)
FAD  A 601 (-3.5A)
None
 1.49A 1lwfA-2gqtA:
undetectable		 1lwfA-2gqtA:
20.50
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.
2O4N_A_TPVA300_2
(PROTEASE)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 8 ALA A  79
ILE A 160
GLY A  45
LEU A 155
 FAD  A 601 ( 4.2A)
FAD  A 601 (-4.7A)
FAD  A 601 (-3.1A)
None
 0.66A 2o4nB-2gqtA:
undetectable		 2o4nB-2gqtA:
15.59
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.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 7 GLY A  19
GLY A  20
VAL A 246
LEU A  51
 None
 0.65A 2oa1B-2gqtA:
undetectable		 2oa1B-2gqtA:
20.83
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		3 / 3 ARG A 251
ILE A 235
THR A  14
 None
 0.47A 3ia4D-2gqtA:
undetectable		 3ia4D-2gqtA:
22.76
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.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 7 VAL A 253
LEU A 257
LEU A 259
ASN A 233
 None
 0.98A 3u5kB-2gqtA:
undetectable		 3u5kB-2gqtA:
18.63
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.
4A9J_B_TYLB1187_1
(BROMODOMAIN
CONTAINING 2)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 5 VAL A 253
LEU A 257
LEU A 259
ASN A 233
 None
 0.94A 4a9jB-2gqtA:
undetectable		 4a9jB-2gqtA:
18.85
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.
4GBO_A_CUA301_0
(E7)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 5 HIS A 134
ALA A 137
HIS A 139
TYR A 141
 None
 1.22A 4gboA-2gqtA:
undetectable		 4gboA-2gqtA:
21.71
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.
4M2V_A_BZ1A302_2
(CARBONIC ANHYDRASE 2)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		3 / 3 HIS A 139
VAL A 112
LEU A 155
 None
 0.57A 4m2vA-2gqtA:
undetectable		 4m2vA-2gqtA:
23.18
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.
4NKX_B_STRB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		5 / 12 LEU A 155
GLY A 110
ALA A 111
VAL A 130
VAL A 164
 None
FAD  A 601 (-3.5A)
FAD  A 601 (-4.1A)
None
None
 0.92A 4nkxB-2gqtA:
undetectable		 4nkxB-2gqtA:
21.30
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.
4NKX_B_STRB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		5 / 12 PHE A 148
GLY A 110
ALA A 111
VAL A 130
VAL A 164
 None
FAD  A 601 (-3.5A)
FAD  A 601 (-4.1A)
None
None
 0.88A 4nkxB-2gqtA:
undetectable		 4nkxB-2gqtA:
21.30
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.
4Z90_A_4LEA401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		5 / 8 LEU A 166
ALA A 126
LEU A  98
LEU A  83
ALA A 111
 None
None
None
None
FAD  A 601 (-4.1A)
 0.88A 4z90A-2gqtA:
undetectable
4z90B-2gqtA:
undetectable
4z90C-2gqtA:
undetectable
4z90D-2gqtA:
undetectable
4z90E-2gqtA:
undetectable		 4z90A-2gqtA:
20.93
4z90B-2gqtA:
20.93
4z90C-2gqtA:
20.93
4z90D-2gqtA:
20.93
4z90E-2gqtA:
20.93
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.
4Z90_F_4LEF402_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		5 / 7 LEU A  98
LEU A  83
ALA A 111
LEU A 166
ALA A 126
 None
None
FAD  A 601 (-4.1A)
None
None
 0.85A 4z90F-2gqtA:
undetectable
4z90G-2gqtA:
undetectable
4z90H-2gqtA:
undetectable
4z90J-2gqtA:
undetectable		 4z90F-2gqtA:
20.93
4z90G-2gqtA:
20.93
4z90H-2gqtA:
20.93
4z90J-2gqtA:
20.93
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.
5UIZ_A_CUA301_0
(AA10A)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 5 HIS A 134
ALA A 137
HIS A 139
TYR A 141
 None
 1.20A 5uizA-2gqtA:
undetectable		 5uizA-2gqtA:
21.71
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.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		5 / 12 PHE A 148
LEU A 155
GLY A 110
ALA A 111
LEU A 127
 None
None
FAD  A 601 (-3.5A)
FAD  A 601 (-4.1A)
None
 1.26A 5x23A-2gqtA:
undetectable		 5x23A-2gqtA:
19.03
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.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 5 LEU A  82
THR A  14
ARG A 187
ARG A 151
 None
None
FAD  A 601 (-2.7A)
None
 1.31A 6ew0B-2gqtA:
undetectable		 6ew0B-2gqtA:
14.18
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.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 5 LEU A  82
THR A  14
ARG A 187
ARG A 151
 None
None
FAD  A 601 (-2.7A)
None
 1.31A 6ew0D-2gqtA:
undetectable		 6ew0D-2gqtA:
14.18
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.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 5 LEU A  82
THR A  14
ARG A 187
ARG A 151
 None
None
FAD  A 601 (-2.7A)
None
 1.31A 6ew0H-2gqtA:
undetectable		 6ew0H-2gqtA:
14.18
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.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)		 2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE
(Thermus
caldophilus) 		4 / 5 LEU A  82
THR A  14
ARG A 187
ARG A 151
 None
None
FAD  A 601 (-2.7A)
None
 1.31A 6ew0I-2gqtA:
undetectable		 6ew0I-2gqtA:
14.18