SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3PG'


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.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.09A 1ddrB-1hdiA:
undetectable		 1ddrB-1hdiA:
14.57
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A 203
GLY A 357
GLY A 358
GLY A 359
SER A 377
 None
None
None
3PG  A 503 ( 3.1A)
None
 0.90A 1dx6A-2cunA:
undetectable		 1dx6A-2cunA:
21.40
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.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.05A 1dyiA-1hdiA:
undetectable		 1dyiA-1hdiA:
14.81
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.
1E7B_A_HLTA4001_1
(SERUM ALBUMIN)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		4 / 5 LYS A 219
ALA A 218
ASP A 377
GLY A 339
 3PG  A 423 ( 2.6A)
ADP  A 421 (-3.4A)
MG  A 422 ( 3.4A)
ADP  A 421 ( 4.1A)
 0.97A 1e7bA-13pkA:
0.0		 1e7bA-13pkA:
22.45
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.
1EQB_A_GLYA1292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Leishmania
mexicana) 		4 / 8 HIS B 467
SER B  75
HIS B 360
ARG B 282
 CO  B 563 ( 3.1A)
CO  B 563 (-1.8A)
3PG  B 564 ( 4.2A)
3PG  B 564 ( 2.8A)
 1.28A 1eqbA-3igzB:
undetectable
1eqbB-3igzB:
undetectable		 1eqbA-3igzB:
21.80
1eqbB-3igzB:
21.80
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.
1EQB_A_GLYA1292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		4 / 8 HIS A 445
SER A  67
HIS A 339
ARG A 262
 MN  A 602 ( 3.2A)
MN  A 602 ( 1.8A)
3PG  A 603 (-4.3A)
3PG  A 603 (-3.0A)
 1.29A 1eqbA-5vpuA:
undetectable
1eqbB-5vpuA:
undetectable		 1eqbA-5vpuA:
23.02
1eqbB-5vpuA:
23.02
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.
1EQB_B_GLYB2292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Leishmania
mexicana) 		4 / 8 HIS B 467
SER B  75
HIS B 360
ARG B 282
 CO  B 563 ( 3.1A)
CO  B 563 (-1.8A)
3PG  B 564 ( 4.2A)
3PG  B 564 ( 2.8A)
 1.27A 1eqbA-3igzB:
undetectable
1eqbB-3igzB:
undetectable		 1eqbA-3igzB:
21.80
1eqbB-3igzB:
21.80
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.
1EQB_B_GLYB2292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		4 / 8 HIS A 445
SER A  67
HIS A 339
ARG A 262
 MN  A 602 ( 3.2A)
MN  A 602 ( 1.8A)
3PG  A 603 (-4.3A)
3PG  A 603 (-3.0A)
 1.28A 1eqbA-5vpuA:
undetectable
1eqbB-5vpuA:
undetectable		 1eqbA-5vpuA:
23.02
1eqbB-5vpuA:
23.02
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.
1EQB_C_GLYC3292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Leishmania
mexicana) 		4 / 8 HIS B 467
SER B  75
HIS B 360
ARG B 282
 CO  B 563 ( 3.1A)
CO  B 563 (-1.8A)
3PG  B 564 ( 4.2A)
3PG  B 564 ( 2.8A)
 1.27A 1eqbC-3igzB:
undetectable
1eqbD-3igzB:
undetectable		 1eqbC-3igzB:
21.80
1eqbD-3igzB:
21.80
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.
1EQB_C_GLYC3292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		4 / 8 HIS A 445
SER A  67
HIS A 339
ARG A 262
 MN  A 602 ( 3.2A)
MN  A 602 ( 1.8A)
3PG  A 603 (-4.3A)
3PG  A 603 (-3.0A)
 1.28A 1eqbC-5vpuA:
undetectable
1eqbD-5vpuA:
undetectable		 1eqbC-5vpuA:
23.02
1eqbD-5vpuA:
23.02
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.
1EQB_D_GLYD4292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Leishmania
mexicana) 		4 / 8 HIS B 467
SER B  75
HIS B 360
ARG B 282
 CO  B 563 ( 3.1A)
CO  B 563 (-1.8A)
3PG  B 564 ( 4.2A)
3PG  B 564 ( 2.8A)
 1.27A 1eqbC-3igzB:
undetectable
1eqbD-3igzB:
undetectable		 1eqbC-3igzB:
21.80
1eqbD-3igzB:
21.80
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.
1EQB_D_GLYD4292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		4 / 8 HIS A 445
SER A  67
HIS A 339
ARG A 262
 MN  A 602 ( 3.2A)
MN  A 602 ( 1.8A)
3PG  A 603 (-4.3A)
3PG  A 603 (-3.0A)
 1.28A 1eqbC-5vpuA:
undetectable
1eqbD-5vpuA:
undetectable		 1eqbC-5vpuA:
23.02
1eqbD-5vpuA:
23.02
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.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.05A 1jolA-1hdiA:
undetectable		 1jolA-1hdiA:
14.81
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.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 12 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 1.01A 1jolA-1vpeA:
undetectable		 1jolA-1vpeA:
17.47
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.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.07A 1jolB-1hdiA:
undetectable		 1jolB-1hdiA:
14.81
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.
1UDT_A_VIAA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		5 / 12 HIS A  62
ALA A 175
ILE A 180
VAL A 134
LEU A 130
 3PG  A 423 (-4.1A)
None
None
None
None
 1.04A 1udtA-13pkA:
undetectable		 1udtA-13pkA:
20.52
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Leishmania
mexicana) 		5 / 12 SER B 131
LEU B 129
ASP B 284
HIS B 360
VAL B 135
 None
None
2PG  B 565 ( 4.5A)
3PG  B 564 ( 4.2A)
2PG  B 565 (-4.6A)
 1.23A 1uobA-3igzB:
undetectable		 1uobA-3igzB:
19.68
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A 203
GLY A 357
GLY A 358
GLY A 359
SER A 377
 None
None
None
3PG  A 503 ( 3.1A)
None
 0.92A 1w6rA-2cunA:
undetectable		 1w6rA-2cunA:
21.40
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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		5 / 8 GLY A 168
GLY A 397
GLY A 398
ALA A 400
ILE A 372
 3PG  A 423 (-4.7A)
None
ADP  A 421 ( 4.3A)
None
None
 1.07A 1yajC-13pkA:
undetectable		 1yajC-13pkA:
22.69
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.
2H42_B_VIAB902_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		5 / 12 HIS A  62
ALA A 175
ILE A 180
VAL A 134
LEU A 130
 3PG  A 423 (-4.1A)
None
None
None
None
 1.11A 2h42B-13pkA:
undetectable		 2h42B-13pkA:
20.75
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		5 / 11 GLY A 168
SER A 395
SER A 401
ASP A 377
GLY A 399
 3PG  A 423 (-4.7A)
None
None
MG  A 422 ( 3.4A)
None
 1.48A 2hmaA-13pkA:
undetectable		 2hmaA-13pkA:
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		 5y79 PUTATIVE HEXOSE
PHOSPHATE
TRANSLOCATOR
(Galdieria
sulphuraria) 		5 / 12 SER A 178
THR A 182
ASN A 340
ALA A 149
THR A 153
 None
None
3PG  A 516 ( 4.7A)
OLC  A 504 ( 3.9A)
OLC  A 504 (-4.1A)
 1.25A 2nniA-5y79A:
1.8		 2nniA-5y79A:
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.
2RK8_B_PPFB3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Leishmania
mexicana) 		4 / 7 HIS B 467
SER B  75
ASP B 425
ARG B 209
 CO  B 563 ( 3.1A)
CO  B 563 (-1.8A)
CO  B 562 (-2.1A)
3PG  B 564 ( 3.2A)
 1.47A 2rk8B-3igzB:
undetectable		 2rk8B-3igzB:
23.02
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Leishmania
mexicana) 		4 / 8 HIS B 467
SER B  75
HIS B 360
ARG B 282
 CO  B 563 ( 3.1A)
CO  B 563 (-1.8A)
3PG  B 564 ( 4.2A)
3PG  B 564 ( 2.8A)
 1.33A 2vmyA-3igzB:
undetectable
2vmyB-3igzB:
undetectable		 2vmyA-3igzB:
22.01
2vmyB-3igzB:
22.01
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		4 / 8 HIS A 445
SER A  67
HIS A 339
ARG A 262
 MN  A 602 ( 3.2A)
MN  A 602 ( 1.8A)
3PG  A 603 (-4.3A)
3PG  A 603 (-3.0A)
 1.32A 2vmyA-5vpuA:
undetectable
2vmyB-5vpuA:
undetectable		 2vmyA-5vpuA:
22.91
2vmyB-5vpuA:
22.91
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.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		 2a9j BISPHOSPHOGLYCERATE
MUTASE
(Homo
sapiens) 		3 / 3 ARG A 117
GLU A 101
SER A 118
 3PG  A 408 (-2.8A)
None
None
 0.94A 2xkkA-2a9jA:
undetectable
2xkkC-2a9jA:
undetectable		 2xkkA-2a9jA:
16.15
2xkkC-2a9jA:
16.15
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.
3G9E_A_RO7A1_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A 381
TYR A 194
LEU A 196
VAL A 226
LEU A 181
 3PG  A 503 (-3.5A)
None
None
None
None
 1.24A 3g9eA-2cunA:
undetectable		 3g9eA-2cunA:
23.22
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 12 GLY A 353
VAL A  20
GLY A 147
ALA A  39
ALA A  40
 ANP  A 400 (-3.0A)
None
3PG  A 401 (-4.7A)
None
None
 1.06A 3keeC-1vpeA:
undetectable		 3keeC-1vpeA:
19.45
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 12 GLY A 354
VAL A  20
GLY A 147
ALA A  39
ALA A  40
 ANP  A 400 (-3.6A)
None
3PG  A 401 (-4.7A)
None
None
 1.07A 3keeC-1vpeA:
undetectable		 3keeC-1vpeA:
19.45
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.
3KP6_A_SALA3002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 8 VAL A  75
LEU A  76
ILE A  29
ARG A  34
LEU A  20
 None
None
None
3PG  A 503 (-2.9A)
None
 1.39A 3kp6A-2cunA:
undetectable
3kp6B-2cunA:
undetectable		 3kp6A-2cunA:
19.37
3kp6B-2cunA:
19.37
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.
3PFG_A_SAMA264_1
(N-METHYLTRANSFERASE)		 5y79 PUTATIVE HEXOSE
PHOSPHATE
TRANSLOCATOR
(Galdieria
sulphuraria) 		3 / 3 TYR A 336
TYR A 289
GLU A 300
 3PG  A 516 ( 4.8A)
None
None
 0.90A 3pfgA-5y79A:
undetectable		 3pfgA-5y79A:
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		 3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Leishmania
mexicana) 		4 / 8 ARG B 166
LEU B  25
ASP B 466
SER B  75
 3PG  B 564 ( 3.9A)
None
CO  B 563 (-2.4A)
CO  B 563 (-1.8A)
 1.00A 3qj7A-3igzB:
undetectable
3qj7D-3igzB:
undetectable		 3qj7A-3igzB:
20.00
3qj7D-3igzB:
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)		 2a9j BISPHOSPHOGLYCERATE
MUTASE
(Homo
sapiens) 		4 / 8 PRO A 213
ILE A 245
ILE A 210
ARG A 117
 None
None
None
3PG  A 408 (-2.8A)
 0.91A 3sfeB-2a9jA:
undetectable
3sfeC-2a9jA:
undetectable		 3sfeB-2a9jA:
20.65
3sfeC-2a9jA:
22.41
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.45A 3w37A-2cunA:
undetectable		 3w37A-2cunA:
17.43
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ILE A  29
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.33A 3w37A-2cunA:
undetectable		 3w37A-2cunA:
17.43
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.44A 3welA-2cunA:
undetectable		 3welA-2cunA:
17.43
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ILE A  29
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.33A 3welA-2cunA:
undetectable		 3welA-2cunA:
17.43
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.39A 3wemA-2cunA:
undetectable		 3wemA-2cunA:
17.43
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ILE A  29
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.11A 3wemA-2cunA:
undetectable		 3wemA-2cunA:
17.43
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.38A 3wenA-2cunA:
undetectable		 3wenA-2cunA:
17.43
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ILE A  29
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.11A 3wenA-2cunA:
undetectable		 3wenA-2cunA:
17.43
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.43A 3weoA-2cunA:
undetectable		 3weoA-2cunA:
17.43
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		5 / 12 ALA A 148
ASN A 146
ILE A  29
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.14A 3weoA-2cunA:
undetectable		 3weoA-2cunA:
17.43
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.
4B7Q_C_ZMRC601_1
(NEURAMINIDASE)		 3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Leishmania
mexicana) 		5 / 12 ARG B 166
ASP B 425
SER B 353
GLU B 354
ARG B 285
 3PG  B 564 ( 3.9A)
CO  B 562 (-2.1A)
None
None
3PG  B 564 ( 3.8A)
 1.49A 4b7qC-3igzB:
undetectable		 4b7qC-3igzB:
20.24
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.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.00A 4fhbA-1hdiA:
undetectable		 4fhbA-1hdiA:
14.57
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.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 12 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 1.01A 4fhbA-1vpeA:
undetectable		 4fhbA-1vpeA:
17.47
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.
4HAJ_A_DXCA75_0
(PPCA)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		4 / 7 ILE A 239
LEU A 227
LYS A 219
GLY A 399
 None
None
3PG  A 423 ( 2.6A)
None
 0.82A 4hajA-13pkA:
undetectable		 4hajA-13pkA:
11.33
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.
4HB6_A_DXCA75_0
(PPCA)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		4 / 8 ILE A 239
LEU A 227
LYS A 219
GLY A 399
 None
None
3PG  A 423 ( 2.6A)
None
 0.89A 4hb6A-13pkA:
undetectable		 4hb6A-13pkA:
11.22
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.
4HB8_A_DXCA75_0
(PPCA)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		4 / 8 ILE A 239
LEU A 227
LYS A 219
GLY A 399
 None
None
3PG  A 423 ( 2.6A)
None
 0.80A 4hb8A-13pkA:
undetectable		 4hb8A-13pkA:
10.84
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		3 / 3 LEU A 410
PRO A 411
ARG A  39
 None
None
3PG  A 423 (-2.7A)
 0.59A 4klrB-13pkA:
1.5		 4klrB-13pkA:
21.06
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		3 / 3 LEU A 407
PRO A 408
ARG A  38
 None
None
3PG  A 419 (-2.4A)
 0.42A 4klrB-1hdiA:
2.0		 4klrB-1hdiA:
19.21
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2cun PHOSPHOGLYCERATE
KINASE
(Pyrococcus
horikoshii) 		3 / 3 LEU A 392
PRO A 393
ARG A  34
 None
None
3PG  A 503 (-2.9A)
 0.62A 4klrB-2cunA:
2.9		 4klrB-2cunA:
22.27
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.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		4 / 5 ARG A 196
ASP A  17
GLU A  68
VAL A  57
 3PG  A 603 (-3.2A)
MN  A 602 ( 2.2A)
None
None
 1.23A 4nkxC-5vpuA:
undetectable		 4nkxC-5vpuA:
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.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 0.91A 4pstA-1hdiA:
undetectable		 4pstA-1hdiA:
14.57
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.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 12 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 0.92A 4pstA-1vpeA:
undetectable		 4pstA-1vpeA:
17.47
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.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 0.94A 4psyA-1hdiA:
undetectable		 4psyA-1hdiA:
14.57
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.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 12 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 0.95A 4psyA-1vpeA:
undetectable		 4psyA-1vpeA:
17.47
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.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.03A 4qleA-1hdiA:
undetectable		 4qleA-1hdiA:
14.57
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.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 0.91A 4rgcA-1hdiA:
undetectable		 4rgcA-1hdiA:
14.57
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.
4X3U_B_SVRB102_1
(CHROMOBOX PROTEIN
HOMOLOG 7)		 5y79 PUTATIVE HEXOSE
PHOSPHATE
TRANSLOCATOR
(Galdieria
sulphuraria) 		3 / 3 LYS A 128
ARG A 363
VAL A 202
 None
3PG  A 516 (-2.9A)
OLC  A 505 (-4.9A)
 0.89A 4x3uA-5y79A:
undetectable
4x3uB-5y79A:
undetectable		 4x3uA-5y79A:
8.81
4x3uB-5y79A:
8.81
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.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.00A 4x5gA-1hdiA:
undetectable		 4x5gA-1hdiA:
18.93
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		4 / 7 HIS A 445
GLY A  70
ASN A  66
HIS A 339
 MN  A 602 ( 3.2A)
None
3PG  A 603 (-4.8A)
3PG  A 603 (-4.3A)
 1.21A 5a5zC-5vpuA:
undetectable		 5a5zC-5vpuA:
21.31
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		4 / 6 GLU A 366
GLY A 147
ASP A  21
GLY A 376
 None
3PG  A 401 (-4.7A)
3PG  A 401 (-2.9A)
ANP  A 400 (-3.5A)
 0.75A 5cdnA-1vpeA:
undetectable
5cdnB-1vpeA:
undetectable		 5cdnA-1vpeA:
23.51
5cdnB-1vpeA:
19.08
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.
5CDN_N_EVPN2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		4 / 6 GLU A 366
GLY A 147
ASP A  21
GLY A 376
 None
3PG  A 401 (-4.7A)
3PG  A 401 (-2.9A)
ANP  A 400 (-3.5A)
 0.77A 5cdnR-1vpeA:
undetectable
5cdnS-1vpeA:
undetectable		 5cdnR-1vpeA:
23.51
5cdnS-1vpeA:
19.08
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.
5CDN_O_EVPO2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		4 / 6 GLU A 366
GLY A 147
ASP A  21
GLY A 376
 None
3PG  A 401 (-4.7A)
3PG  A 401 (-2.9A)
ANP  A 400 (-3.5A)
 0.80A 5cdnC-1vpeA:
undetectable
5cdnD-1vpeA:
undetectable		 5cdnC-1vpeA:
23.51
5cdnD-1vpeA:
19.08
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.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		4 / 6 GLU A 366
GLY A 147
ASP A  21
GLY A 376
 None
3PG  A 401 (-4.7A)
3PG  A 401 (-2.9A)
ANP  A 400 (-3.5A)
 0.78A 5cdnT-1vpeA:
undetectable
5cdnU-1vpeA:
undetectable		 5cdnT-1vpeA:
23.51
5cdnU-1vpeA:
19.08
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		4 / 8 ASP A 264
GLU A 335
ASP A 195
TYR A 191
 3PG  A 603 ( 4.9A)
EDO  A 604 (-2.8A)
None
None
 0.96A 5cfsA-5vpuA:
undetectable		 5cfsA-5vpuA:
19.12
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 9 ARG A 170
ALA A 171
LEU A 407
GLY A 409
GLU A 400
 3PG  A 419 (-4.0A)
None
None
None
None
 1.20A 5dqfA-1hdiA:
undetectable		 5dqfA-1hdiA:
22.09
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 9 ARG A 151
ALA A 152
LEU A 388
GLY A 390
GLU A 381
 3PG  A 401 (-3.8A)
None
None
None
None
 1.08A 5dqfA-1vpeA:
undetectable		 5dqfA-1vpeA:
23.46
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.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.08A 5e8qB-1hdiA:
undetectable		 5e8qB-1hdiA:
14.81
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.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 12 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 1.06A 5e8qB-1vpeA:
undetectable		 5e8qB-1vpeA:
17.47
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.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.08A 5eajB-1hdiA:
undetectable		 5eajB-1hdiA:
14.81
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.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 12 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 1.06A 5eajB-1vpeA:
undetectable		 5eajB-1vpeA:
17.47
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.
5EQB_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		5 / 12 GLY A 368
PHE A 167
PHE A 200
GLY A 168
GLY A 398
 None
None
None
3PG  A 423 (-4.7A)
ADP  A 421 ( 4.3A)
 1.03A 5eqbA-13pkA:
0.0		 5eqbA-13pkA:
23.37
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.
5GWK_F_EVPF102_1
(DNA TOPOISOMERASE
2-ALPHA)		 3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Leishmania
mexicana) 		4 / 5 GLY B 133
ASP B 167
ARG B 202
MET B 315
 None
2PG  B 565 ( 2.4A)
3PG  B 564 ( 2.8A)
None
 1.41A 5gwkA-3igzB:
2.1		 5gwkA-3igzB:
22.04
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.
5KKL_B_SAMB8009_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN,HISTONE H3.1
PEPTIDE,ZINC FINGER
DOMAIN-CONTAINING
PROTEIN)		 1qpg 3-PHOSPHOGLYCERATE
KINASE
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 187
GLY A 164
ASN A 160
TYR A 158
PHE A  19
 None
3PG  A 451 (-3.8A)
None
None
None
 1.32A 5kklB-1qpgA:
undetectable		 5kklB-1qpgA:
17.62
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.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.08A 5ujxB-1hdiA:
2.0		 5ujxB-1hdiA:
14.81
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.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 12 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 1.05A 5ujxB-1vpeA:
undetectable		 5ujxB-1vpeA:
17.47
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1qpg 3-PHOSPHOGLYCERATE
KINASE
(Saccharomyces
cerevisiae) 		5 / 12 GLU A 190
GLY A 164
LEU A 220
VAL A 332
GLY A 369
 None
3PG  A 451 (-3.8A)
None
None
None
 1.07A 5vopA-1qpgA:
undetectable		 5vopA-1qpgA:
21.90
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		4 / 7 ASN A  26
HIS A  62
GLY A  68
ASN A 133
 3PG  A 423 (-3.9A)
3PG  A 423 (-4.1A)
None
None
 1.11A 5x7pA-13pkA:
undetectable		 5x7pA-13pkA:
15.00
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.
5YCP_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5jqx GLUCOSYL-3-PHOSPHOGL
YCERATE SYNTHASE
(Mycobacterium
tuberculosis) 		3 / 3 GLY A 184
VAL A 273
MET A 269
 3PG  A 401 (-3.3A)
None
3PG  A 401 (-3.5A)
 0.60A 5ycpA-5jqxA:
undetectable		 5ycpA-5jqxA:
14.94
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.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 0.91A 5z6jA-1hdiA:
undetectable		 5z6jA-1hdiA:
18.93
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.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 12 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 0.91A 5z6jA-1vpeA:
undetectable		 5z6jA-1vpeA:
17.42
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.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		5 / 12 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 0.91A 5z6kA-1hdiA:
undetectable		 5z6kA-1hdiA:
18.93
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.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1vpe PHOSPHOGLYCERATE
KINASE
(Thermotoga
maritima) 		5 / 12 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 0.90A 5z6kA-1vpeA:
undetectable		 5z6kA-1vpeA:
17.42
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.
5Z6K_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		3 / 3 MET A 177
ASP A  24
ARG A  65
 None
3PG  A 423 (-2.7A)
3PG  A 423 (-4.3A)
 1.13A 5z6kA-13pkA:
1.1		 5z6kA-13pkA:
16.58
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.
5Z6K_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1hdi PHOSPHOGLYCERATE
KINASE
(Sus
scrofa) 		3 / 3 MET A 175
ASP A  23
ARG A  65
 None
3PG  A 419 (-2.9A)
3PG  A 419 (-4.0A)
 1.11A 5z6kA-1hdiA:
0.0		 5z6kA-1hdiA:
18.93
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.
6AZ3_1_PAR11802_1
(RRNA ALPHA
RIBOSOMAL PROTEIN
UL4
RIBOSOMAL PROTEIN
UL15
RIBOSOMAL PROTEIN
EL15)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		3 / 3 ARG A 172
LYS A 408
ARG A 135
 3PG  A 423 (-3.4A)
None
3PG  A 423 (-2.8A)
 1.39A 6az3C-13pkA:
0.0
6az3L-13pkA:
0.0
6az3M-13pkA:
0.0		 6az3C-13pkA:
11.90
6az3L-13pkA:
13.69
6az3M-13pkA:
11.17
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.
6B58_A_ACTA609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Leishmania
mexicana) 		3 / 3 HIS B  79
HIS B 360
ARG B 282
 None
3PG  B 564 ( 4.2A)
3PG  B 564 ( 2.8A)
 1.06A 6b58A-3igzB:
undetectable		 6b58A-3igzB:
21.67
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.
6B58_A_ACTA609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		3 / 3 HIS A  71
HIS A 339
ARG A 262
 None
3PG  A 603 (-4.3A)
3PG  A 603 (-3.0A)
 1.04A 6b58A-5vpuA:
undetectable		 6b58A-5vpuA:
22.05
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		5 / 12 LEU A 295
ASN A 260
PHE A 261
ASP A 158
GLY A 126
 None
None
None
3PG  A 603 (-2.4A)
None
 1.07A 6dwnA-5vpuA:
undetectable		 6dwnA-5vpuA:
9.28
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.
6FBV_D_FI8D1904_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 1qpg 3-PHOSPHOGLYCERATE
KINASE
(Saccharomyces
cerevisiae) 		4 / 8 ASP A  23
ARG A 121
GLU A 126
VAL A 174
 3PG  A 451 (-2.8A)
3PG  A 451 (-3.1A)
None
None
 0.93A 6fbvD-1qpgA:
undetectable		 6fbvD-1qpgA:
15.83
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.
6GH9_A_MIXA1003_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		4 / 5 ASN A  66
GLY A 120
HIS A 128
ASP A 264
 3PG  A 603 (-4.8A)
None
3PG  A 603 (-3.9A)
3PG  A 603 ( 4.9A)
 1.15A 6gh9A-5vpuA:
undetectable		 6gh9A-5vpuA:
9.77
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.
6GNG_B_QPSB601_2
(-)		 13pk 3-PHOSPHOGLYCERATE
KINASE
(Trypanosoma
brucei) 		5 / 12 GLY A 398
GLY A 375
GLY A 412
HIS A  62
PRO A 181
 ADP  A 421 ( 4.3A)
ADP  A 421 (-3.3A)
None
3PG  A 423 (-4.1A)
None
 0.95A 6gngB-13pkA:
3.6		 6gngB-13pkA:
21.49
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.
6MHT_D_SAMD328_0
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI)		 5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Acinetobacter
baumannii) 		5 / 12 LEU A 121
GLY A 120
ASP A 264
ILE A 302
SER A 129
 None
None
3PG  A 603 ( 4.9A)
None
None
 1.13A 6mhtA-5vpuA:
undetectable		 6mhtA-5vpuA:
20.97