SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2iss'

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.
1ERR_A_RALA600_1
(ESTROGEN RECEPTOR)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 THR A 218
ALA A 220
ASP A 221
LEU A 224
LEU A 266
 None
 1.13A 1errA-2issA:
undetectable		 1errA-2issA:
19.27
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_A_CCSA417_0
(ESTROGEN RECEPTOR)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		3 / 3 GLU A  90
LYS A  82
VAL A  83
 None
5RP  A 294 (-1.3A)
None
 0.97A 1l2iA-2issA:
undetectable		 1l2iA-2issA:
21.32
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		5 / 9 LEU D  43
VAL D   8
VAL D  29
GLY D   7
LEU D  83
 None
 1.35A 1lwfA-2issD:
undetectable		 1lwfA-2issD:
15.51
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.
1N4H_A_REAA500_1
(NUCLEAR RECEPTOR
ROR-BETA)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		5 / 11 CYH D  78
ILE D  82
ALA D  85
ARG D  87
ALA D 107
 None
 1.22A 1n4hA-2issD:
undetectable		 1n4hA-2issD:
21.29
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.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 10 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.78A 1t3rA-2issA:
undetectable		 1t3rA-2issA:
14.43
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima;
Thermotoga
maritima) 		5 / 11 THR D  50
GLY A  21
GLY A  20
MET D  58
LEU A 254
 None
 1.03A 1x7pA-2issD:
undetectable
1x7pB-2issD:
undetectable		 1x7pA-2issD:
21.75
1x7pB-2issD:
21.75
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.
2AOI_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		4 / 5 GLY A 134
PRO A 207
VAL A 208
ILE A 147
 None
 1.00A 2aoiA-2issA:
undetectable		 2aoiA-2issA:
17.65
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.
2O4L_A_TPVA403_2
(PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.87A 2o4lB-2issA:
undetectable		 2o4lB-2issA:
15.91
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.
2Q63_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.84A 2q63A-2issA:
undetectable		 2q63A-2issA:
16.86
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.
2QD4_B_CHDB927_0
(FERROCHELATASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		3 / 3 LEU A 206
PRO A 207
ARG A 139
 None
None
PO4  A 300 (-2.9A)
 0.60A 2qd4B-2issA:
2.1		 2qd4B-2issA:
19.74
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.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		4 / 8 ILE D  82
PHE A  14
GLY D  45
GLY D  46
 None
 0.78A 2qx4A-2issD:
4.3
2qx4B-2issD:
4.8		 2qx4A-2issD:
23.55
2qx4B-2issD:
23.55
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.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.74A 3bvbB-2issA:
undetectable		 3bvbB-2issA:
17.65
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.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		3 / 3 PHE D 169
CYH D 167
PHE D  75
 None
 1.08A 3cr5X-2issD:
undetectable		 3cr5X-2issD:
21.74
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.
3CYW_A_017A201_1
(HIV-1 PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.84A 3cywA-2issA:
undetectable		 3cywA-2issA:
17.44
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.
3CYW_A_017A201_2
(HIV-1 PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.88A 3cywB-2issA:
undetectable		 3cywB-2issA:
17.44
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.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.84A 3jw2A-2issA:
undetectable		 3jw2A-2issA:
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.
3JW2_A_017A401_2
(GAG-POL POLYPROTEIN)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.82A 3jw2B-2issA:
undetectable		 3jw2B-2issA:
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.
3K4V_B_ROCB201_1
(HIV-1 PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.85A 3k4vA-2issA:
undetectable		 3k4vA-2issA:
17.65
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.
3LZU_A_017A200_2
(HIV-1 PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.84A 3lzuB-2issA:
undetectable		 3lzuB-2issA:
14.70
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 10 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.73A 3lzvA-2issA:
undetectable		 3lzvA-2issA:
14.06
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.
3NDT_A_ROCA101_1
(PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.86A 3ndtA-2issA:
undetectable		 3ndtA-2issA:
17.65
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.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 10 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.94A 3oxwA-2issA:
undetectable		 3oxwA-2issA:
15.44
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.
3OXW_D_017D200_1
(HIV-1 PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 10 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.86A 3oxwC-2issA:
undetectable		 3oxwC-2issA:
15.44
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.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 10 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.76A 3oy4B-2issA:
undetectable		 3oy4B-2issA:
15.46
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.
3TL9_A_ROCA401_1
(PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.87A 3tl9A-2issA:
undetectable		 3tl9A-2issA:
17.65
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.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 10 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.92A 4dqbB-2issA:
undetectable		 4dqbB-2issA:
17.57
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.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 10 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.91A 4dqeB-2issA:
undetectable		 4dqeB-2issA:
15.35
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 10 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.78A 4dqfB-2issA:
undetectable		 4dqfB-2issA:
16.86
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.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 10 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.89A 4dqhB-2issA:
undetectable		 4dqhB-2issA:
15.75
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.
4EYR_B_RITB301_2
(HIV-1 PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		4 / 8 GLY A 129
ALA A 130
ASP A 132
PRO A 207
 None
 0.76A 4eyrB-2issA:
undetectable		 4eyrB-2issA:
19.40
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.
4FP9_A_SAMA401_0
(METHYLTRANSFERASE
NSUN4)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		5 / 12 PRO D  44
GLY D  45
GLY D  46
LEU D 165
LEU D  99
 None
 1.06A 4fp9A-2issD:
undetectable		 4fp9A-2issD:
20.44
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.
4FP9_C_SAMC401_0
(METHYLTRANSFERASE
NSUN4)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		5 / 12 PRO D  44
GLY D  45
GLY D  46
LEU D 165
LEU D  99
 None
 1.06A 4fp9C-2issD:
undetectable		 4fp9C-2issD:
20.44
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.
4FP9_D_SAMD401_0
(METHYLTRANSFERASE
NSUN4)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		5 / 12 PRO D  44
GLY D  45
GLY D  46
LEU D 165
LEU D  99
 None
 1.07A 4fp9D-2issD:
undetectable		 4fp9D-2issD:
20.44
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.
4FP9_F_SAMF401_0
(METHYLTRANSFERASE
NSUN4)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		5 / 12 PRO D  44
GLY D  45
GLY D  46
LEU D 165
LEU D  99
 None
 1.07A 4fp9F-2issD:
undetectable		 4fp9F-2issD:
20.44
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.
4FZV_A_SAMA401_0
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		5 / 12 PRO D  44
GLY D  45
GLY D  46
LEU D 165
LEU D  99
 None
 1.00A 4fzvA-2issD:
undetectable		 4fzvA-2issD:
21.93
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.
4HLA_A_017A200_1
(PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.92A 4hlaA-2issA:
undetectable		 4hlaA-2issA:
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.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 VAL A 200
TYR A 186
GLY A 191
ILE A 140
LEU A 206
 None
 1.04A 4iv0A-2issA:
undetectable		 4iv0A-2issA:
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.
4KOE_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA2)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		4 / 6 SER A 105
ARG A 148
GLY A 215
GLY A 154
 5RP  A 294 ( 4.7A)
5RP  A 294 (-3.7A)
5RP  A 294 (-3.7A)
5RP  A 294 (-3.4A)
 1.05A 4koeA-2issA:
undetectable
4koeB-2issA:
undetectable
4koeC-2issA:
undetectable		 4koeA-2issA:
21.37
4koeB-2issA:
21.37
4koeC-2issA:
27.55
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.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima;
Thermotoga
maritima) 		5 / 12 PHE A  14
GLY D  10
GLY D  46
LEU D   6
HIS D  15
 None
 1.13A 4krhB-2issA:
undetectable		 4krhB-2issA:
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.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 VAL A 200
TYR A 186
GLY A 191
ILE A 140
LEU A 206
 None
 1.03A 4mwzB-2issA:
undetectable		 4mwzB-2issA:
21.26
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.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 9 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.72A 4q1wA-2issA:
undetectable		 4q1wA-2issA:
16.74
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.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 11 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.77A 4q1xA-2issA:
undetectable		 4q1xA-2issA:
13.74
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.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 10 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.80A 4q1yA-2issA:
undetectable		 4q1yA-2issA:
13.42
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.
4XI3_A_29SA601_1
(ESTROGEN RECEPTOR)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 THR A 218
ALA A 220
ASP A 221
LEU A 224
LEU A 266
 None
 1.15A 4xi3A-2issA:
undetectable		 4xi3A-2issA:
19.88
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.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		4 / 6 GLY A 215
GLY A 154
SER A 105
ARG A 148
 5RP  A 294 (-3.7A)
5RP  A 294 (-3.4A)
5RP  A 294 ( 4.7A)
5RP  A 294 (-3.7A)
 1.02A 4z53A-2issA:
undetectable
4z53B-2issA:
undetectable		 4z53A-2issA:
19.09
4z53B-2issA:
19.09
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.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		6 / 12 ALA D  76
PRO D  44
GLY D  80
GLY D  46
LYS D  86
LEU D  96
 None
 1.37A 5c0oG-2issD:
undetectable		 5c0oG-2issD:
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.
5C0O_H_SAMH301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 ALA A 217
GLY A 154
GLY A 156
GLY A 278
GLU A 106
 None
5RP  A 294 (-3.4A)
None
None
None
 0.97A 5c0oH-2issA:
undetectable		 5c0oH-2issA:
22.89
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.
5K9D_A_ACTA407_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima;
Thermotoga
maritima) 		4 / 5 THR D  49
GLN D  93
ARG D 105
GLU A  36
 None
 1.13A 5k9dA-2issD:
0.0		 5k9dA-2issD:
23.78
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.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		5 / 12 VAL D  12
ASP D  11
GLN D  93
GLY D  80
LEU D  83
 None
 1.04A 5m50B-2issD:
undetectable		 5m50B-2issD:
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.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		5 / 12 VAL D  12
ASP D  11
GLN D  93
GLY D  80
LEU D  83
 None
 1.02A 5m50E-2issD:
undetectable		 5m50E-2issD:
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.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		5 / 12 VAL D  12
ASP D  11
GLN D  93
GLY D  80
LEU D  83
 None
 1.10A 5m54E-2issD:
undetectable		 5m54E-2issD:
20.29
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.
5M5C_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		5 / 12 VAL D  12
ASP D  11
GLN D  93
GLY D  80
LEU D  83
 None
 1.02A 5m5cB-2issD:
undetectable		 5m5cB-2issD:
20.29
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_LSNA504_1
(CYTOCHROME P450 2C9)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		4 / 8 PHE D 129
ILE D 121
PHE D 169
PHE D  75
 None
 0.85A 5x23A-2issD:
undetectable		 5x23A-2issD:
17.61
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima;
Thermotoga
maritima) 		5 / 7 GLY A  21
GLY A  20
GLY D  10
GLY D  45
GLY D  46
 None
 1.04A 6ag0A-2issA:
6.9		 6ag0A-2issA:
13.36
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
(Thermotoga
maritima) 		4 / 6 LEU D 179
ASP D  11
GLN D   9
GLU D 172
 None
 1.34A 6djzC-2issD:
undetectable		 6djzC-2issD:
22.86