SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bg9'

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.
1E3V_A_DXCA801_0
(STEROID
DELTA-ISOMERASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 TYR A 503
GLY A1028
PHE A1048
VAL A1050
LEU A1058
 None
 1.40A 1e3vA-3bg9A:
undetectable		 1e3vA-3bg9A:
11.42
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.
1ISM_B_NCAB305_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 HIS A 773
LEU A 577
SER A 576
ASP A 572
 MN  A2001 (-3.8A)
None
None
MN  A2001 (-3.0A)
 1.17A 1ismB-3bg9A:
undetectable		 1ismB-3bg9A:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MOG_A_RBFA200_1
(DODECIN)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 PHE A 662
TRP A 624
GLU A1005
 None
 1.06A 1mogA-3bg9A:
undetectable		 1mogA-3bg9A:
12.18
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.
1TLM_A_MILA128_1
(TRANSTHYRETIN)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 LEU A1037
LEU A1033
SER A1032
 None
 0.65A 1tlmA-3bg9A:
undetectable		 1tlmA-3bg9A:
10.93
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.
1Z9H_A_IMNA379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 PRO A 960
PRO A 941
SER A 910
ILE A 913
LEU A 680
 None
 1.34A 1z9hA-3bg9A:
undetectable		 1z9hA-3bg9A:
17.71
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.
1Z9H_B_IMNB381_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 PRO A 960
PRO A 941
SER A 910
ILE A 913
LEU A 680
 None
 1.34A 1z9hB-3bg9A:
undetectable		 1z9hB-3bg9A:
17.71
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.
1Z9H_C_IMNC379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 PRO A 960
PRO A 941
SER A 910
ILE A 913
LEU A 680
 None
 1.35A 1z9hC-3bg9A:
undetectable		 1z9hC-3bg9A:
17.71
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.
2BR4_E_SAME301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 SER A 576
ASP A 795
CYH A 739
 None
 0.93A 2br4E-3bg9A:
undetectable		 2br4E-3bg9A:
16.44
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.
2BTE_D_LEUD1893_0
(AMINOACYL-TRNA
SYNTHETASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 MET A1012
ASP A 613
TYR A 651
TYR A 654
 None
 1.37A 2bteD-3bg9A:
undetectable		 2bteD-3bg9A:
21.96
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.
2BYT_A_LEUA1301_0
(LEUCYL-TRNA
SYNTHETASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 MET A1012
ASP A 613
TYR A 651
TYR A 654
 None
 1.38A 2bytA-3bg9A:
undetectable		 2bytA-3bg9A:
21.96
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.
2BYT_D_LEUD1601_0
(LEUCYL-TRNA
SYNTHETASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 MET A1012
ASP A 613
TYR A 651
TYR A 654
 None
 1.38A 2bytD-3bg9A:
undetectable		 2bytD-3bg9A:
21.96
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.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 TYR A 862
GLY A 777
ASP A 774
THR A 772
 None
 0.97A 2f9wA-3bg9A:
2.1
2f9wB-3bg9A:
undetectable		 2f9wA-3bg9A:
19.50
2f9wB-3bg9A:
19.50
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.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 MET A1012
ASP A 613
TYR A 651
TYR A 654
 None
 1.31A 2v0gA-3bg9A:
0.9		 2v0gA-3bg9A:
21.96
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 LEU A 643
MET A 641
MET A 743
 None
 0.89A 2vavF-3bg9A:
undetectable		 2vavF-3bg9A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEK_A_DIFA1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 TYR A 723
LEU A 720
LEU A 755
ALA A 751
 None
 0.97A 2wekA-3bg9A:
undetectable		 2wekA-3bg9A:
20.28
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 4 ARG A 675
GLY A 609
GLU A 605
SER A 910
 None
 1.29A 2xctS-3bg9A:
undetectable
2xctU-3bg9A:
undetectable		 2xctS-3bg9A:
24.12
2xctU-3bg9A:
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A 740
ALA A 702
MET A 686
LEU A 726
ILE A 905
 None
 1.06A 3dauA-3bg9A:
undetectable		 3dauA-3bg9A:
12.26
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.
3F78_A_ICFA1_1
(INTEGRIN ALPHA-L)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 9 ILE A 913
ILE A 952
LEU A 680
LEU A 904
TYR A 894
 None
 1.15A 3f78A-3bg9A:
undetectable		 3f78A-3bg9A:
13.06
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.
3F78_B_ICFB2_1
(INTEGRIN ALPHA-L)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 9 ILE A 913
ILE A 952
LEU A 680
LEU A 904
TYR A 894
 None
 1.16A 3f78B-3bg9A:
undetectable		 3f78B-3bg9A:
13.06
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ARG A 581
THR A 568
THR A 908
 None
 0.73A 3k2hB-3bg9A:
undetectable		 3k2hB-3bg9A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 10 THR A 652
PRO A 909
ASN A 653
GLY A 953
GLY A 650
 None
 1.47A 3pp7B-3bg9A:
5.8		 3pp7B-3bg9A:
20.63
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.
3WIP_J_ACHJ301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 LEU A 642
MET A 641
TRP A 607
THR A 611
 None
 1.14A 3wipF-3bg9A:
undetectable
3wipJ-3bg9A:
undetectable		 3wipF-3bg9A:
14.21
3wipJ-3bg9A:
14.21
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 TYR A 654
VAL A 649
TYR A 651
TYR A1013
 None
 1.26A 4bqtC-3bg9A:
undetectable
4bqtD-3bg9A:
undetectable		 4bqtC-3bg9A:
17.10
4bqtD-3bg9A:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 9 GLY A 811
VAL A 814
SER A 809
ASP A 799
VAL A 831
 None
 1.36A 4da6A-3bg9A:
undetectable		 4da6A-3bg9A:
20.15
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.
4DUB_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 PHE A 662
ALA A 648
GLY A 608
LEU A 643
 None
 0.94A 4dubB-3bg9A:
undetectable		 4dubB-3bg9A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A 740
ALA A 702
MET A 686
LEU A 726
ILE A 905
 None
 1.23A 4gh8B-3bg9A:
undetectable		 4gh8B-3bg9A:
12.55
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.
4HVR_A_SALA203_1
(3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 HIS A 769
GLU A 701
PRO A 767
VAL A 699
 None
 1.12A 4hvrA-3bg9A:
undetectable		 4hvrA-3bg9A:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J24_C_ESTC600_1
(ESTROGEN RECEPTOR
BETA)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 GLU A 865
LEU A 746
ARG A 715
ILE A 704
ILE A 740
 None
 1.27A 4j24C-3bg9A:
undetectable		 4j24C-3bg9A:
15.99
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.
4K8C_B_ADNB401_2
(SUGAR KINASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 4 SER A 719
LEU A 759
TYR A 723
PRO A 713
 None
 1.19A 4k8cB-3bg9A:
0.4		 4k8cB-3bg9A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_A_ADNA401_2
(PROBABLE SUGAR
KINASE PROTEIN)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 4 SER A 719
LEU A 759
TYR A 723
PRO A 713
 None
 1.15A 4kalA-3bg9A:
undetectable		 4kalA-3bg9A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KMU_C_RFPC1401_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 GLN A 807
ASP A 742
HIS A 771
SER A 576
LEU A 577
 None
None
MN  A2001 (-3.4A)
None
None
 1.39A 4kmuC-3bg9A:
undetectable		 4kmuC-3bg9A:
20.65
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.
4KMU_H_RFPH1401_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 GLN A 807
ASP A 742
HIS A 771
SER A 576
LEU A 577
 None
None
MN  A2001 (-3.4A)
None
None
 1.35A 4kmuH-3bg9A:
0.0		 4kmuH-3bg9A:
20.65
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.
4LCA_A_ADNA401_2
(PROBABLE SUGAR
KINASE PROTEIN)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 4 SER A 719
LEU A 759
TYR A 723
PRO A 713
 None
 1.19A 4lcaA-3bg9A:
0.4		 4lcaA-3bg9A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8F_A_BRLA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 5 LEU A 747
ILE A 704
LEU A 759
LEU A 563
 None
 0.84A 4o8fA-3bg9A:
undetectable		 4o8fA-3bg9A:
19.01
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.
4OLB_A_TRPA901_0
(PROTEIN ARGONAUTE-2)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 VAL A 831
ALA A 798
PHE A 598
 None
 0.72A 4olbA-3bg9A:
2.1		 4olbA-3bg9A:
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 THR A 772
GLY A 745
ASP A 774
ILE A 740
LEU A 746
 None
 1.27A 4pooA-3bg9A:
undetectable		 4pooA-3bg9A:
16.49
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.
4S0V_A_SUVA2001_1
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 THR A 908
VAL A 907
THR A 611
VAL A 614
GLU A 605
 None
 1.35A 4s0vA-3bg9A:
undetectable		 4s0vA-3bg9A:
20.84
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.
4W5N_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 VAL A 831
ALA A 798
PHE A 598
 None
 0.76A 4w5nA-3bg9A:
undetectable		 4w5nA-3bg9A:
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.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ARG A 617
ASP A 613
TYR A 651
 None
 0.62A 4yo9B-3bg9A:
undetectable		 4yo9B-3bg9A:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4I_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 VAL A 831
ALA A 798
PHE A 598
 None
 0.71A 4z4iA-3bg9A:
undetectable		 4z4iA-3bg9A:
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.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 SER A 910
ARG A 675
THR A 568
GLU A 605
 None
 1.09A 5btaA-3bg9A:
undetectable
5btaB-3bg9A:
undetectable
5btaC-3bg9A:
undetectable		 5btaA-3bg9A:
22.34
5btaB-3bg9A:
17.58
5btaC-3bg9A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 SER A 910
ARG A 675
THR A 568
GLU A 605
 None
 1.04A 5btcA-3bg9A:
undetectable
5btcC-3bg9A:
undetectable
5btcD-3bg9A:
undetectable		 5btcA-3bg9A:
22.34
5btcC-3bg9A:
22.34
5btcD-3bg9A:
17.58
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 SER A 910
ARG A 675
THR A 568
GLU A 605
 None
 1.09A 5btcA-3bg9A:
undetectable
5btcB-3bg9A:
1.3
5btcC-3bg9A:
undetectable		 5btcA-3bg9A:
22.34
5btcB-3bg9A:
17.58
5btcC-3bg9A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 SER A 910
ARG A 675
THR A 568
GLU A 605
 None
 1.00A 5btfA-3bg9A:
undetectable
5btfC-3bg9A:
undetectable
5btfD-3bg9A:
undetectable		 5btfA-3bg9A:
22.34
5btfC-3bg9A:
22.34
5btfD-3bg9A:
17.58
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.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 5 SER A 910
ARG A 675
GLY A 609
THR A 568
GLU A 605
 None
 1.36A 5btiA-3bg9A:
undetectable
5btiB-3bg9A:
undetectable		 5btiA-3bg9A:
22.34
5btiB-3bg9A:
17.58
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.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 5 SER A 910
ARG A 675
THR A 568
GLU A 605
 None
 1.15A 5btiC-3bg9A:
undetectable
5btiD-3bg9A:
undetectable		 5btiC-3bg9A:
22.34
5btiD-3bg9A:
17.58
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.
5DPD_A_SAMA601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 LEU A 601
SER A 599
SER A 603
VAL A 557
VAL A 793
 None
 1.16A 5dpdA-3bg9A:
undetectable		 5dpdA-3bg9A:
21.51
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.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 9 PHE A 612
GLY A 608
GLU A 605
ASN A 606
ALA A 615
 None
 1.45A 5entC-3bg9A:
undetectable		 5entC-3bg9A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JS1_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 VAL A 831
ALA A 798
PHE A 598
 None
 0.69A 5js1A-3bg9A:
undetectable		 5js1A-3bg9A:
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.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 HIS A 771
HIS A 773
GLY A 868
SER A 576
 MN  A2001 (-3.4A)
MN  A2001 (-3.8A)
None
None
 0.88A 5m8rC-3bg9A:
undetectable		 5m8rC-3bg9A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OV9_A_CVIA609_0
(ACETYLCHOLINESTERASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 TYR A 834
TYR A 837
ASP A 799
TRP A 838
 None
 1.49A 5ov9A-3bg9A:
undetectable		 5ov9A-3bg9A:
22.55
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.
5OV9_B_CVIB603_0
(ACETYLCHOLINESTERASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 TYR A 834
TYR A 837
ASP A 799
TRP A 838
 None
 1.46A 5ov9B-3bg9A:
undetectable		 5ov9B-3bg9A:
22.55
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.
5U63_A_ACTA406_0
(THIOREDOXIN
REDUCTASE)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 HIS A 773
SER A 806
ARG A 571
 MN  A2001 (-3.8A)
None
MN  A2001 ( 4.7A)
 0.99A 5u63A-3bg9A:
undetectable		 5u63A-3bg9A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRF_D_EVPD101_1
()		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 5 GLY A 689
ARG A 644
GLN A 640
MET A 566
 None
 1.32A 5zrfB-3bg9A:
undetectable		 5zrfB-3bg9A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CCV_C_RFPC1205_1
(-)		 3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 GLN A 807
ASP A 742
HIS A 771
SER A 576
LEU A 577
 None
None
MN  A2001 (-3.4A)
None
None
 1.41A 6ccvC-3bg9A:
1.6		 6ccvC-3bg9A:
20.85