Receptor
PDB id Resolution Class Description Source Keywords
2DW7 2.5 Å EC: 4.2.1.81 CRYSTAL STRUCTURE OF D-TARTRATE DEHYDRATASE FROM BRADYRHIZOBIUM JAPONICUM COMPLEXED WITH MG++ AND MESO- T ARTRATE BRADYRHIZOBIUM JAPONICUM D-TARTRATE DEHYDRATASE ENOLASE SUPERFAMILY MESO-TARTRATE LYASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: D-TARTRATE DEHYDRATASE FROM BRADYRHIZOBIUM JAPONICUM BIOCHEMISTRY V. 45 14598 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:2001;
B:2002;
C:2003;
D:2004;
E:2005;
F:2006;
G:2007;
H:2008;
I:2009;
J:2010;
K:2011;
L:2012;
M:2013;
N:2014;
O:2015;
P:2016;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
SRT A:1001;
B:1002;
C:1003;
D:1004;
E:1005;
F:1006;
G:1007;
H:1008;
I:1009;
J:1010;
K:1011;
L:1012;
M:1013;
N:1014;
O:1015;
P:1016;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Ki = 20 uM
150.087 C4 H6 O6 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2DW7 2.5 Å EC: 4.2.1.81 CRYSTAL STRUCTURE OF D-TARTRATE DEHYDRATASE FROM BRADYRHIZOBIUM JAPONICUM COMPLEXED WITH MG++ AND MESO- T ARTRATE BRADYRHIZOBIUM JAPONICUM D-TARTRATE DEHYDRATASE ENOLASE SUPERFAMILY MESO-TARTRATE LYASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: D-TARTRATE DEHYDRATASE FROM BRADYRHIZOBIUM JAPONICUM BIOCHEMISTRY V. 45 14598 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2DW6 - TAR C4 H6 O6 [C@H]([C@@....
2 2DW7 Ki = 20 uM SRT C4 H6 O6 [C@H]([C@H....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2DW6 - TAR C4 H6 O6 [C@H]([C@@....
2 2DW7 Ki = 20 uM SRT C4 H6 O6 [C@H]([C@H....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2DW6 - TAR C4 H6 O6 [C@H]([C@@....
2 2DW7 Ki = 20 uM SRT C4 H6 O6 [C@H]([C@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SRT; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TLA 1 1
3 TAR 1 1
4 RAT 0.588235 1
5 GAE 0.588235 1
6 LGT 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: 33
This union binding pocket(no: 1) in the query (biounit: 2dw7.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZQ0 ACR 0.01227 0.41362 1.54242
2 3AI0 PNW 0.01366 0.40359 2.57069
3 4GUT FAD 0.0461 0.4115 3.3419
4 2WQP WQP 0.01722 0.41538 3.72493
5 1GTE FMN 0.04111 0.40375 3.85604
6 2YFT DQR 0.01749 0.40038 3.85604
7 5T7I LAT NAG GAL 0.01074 0.40857 3.87097
8 1TB3 FMN 0.03449 0.40345 3.97727
9 3HPF GAE 0.008386 0.41392 4.37018
10 1RBL CAP 0.02483 0.40148 4.58716
11 4L9Z COA 0.01937 0.41776 4.71976
12 4OUJ LBT 0.01381 0.40444 5.21173
13 5T46 MGP 0.005471 0.42977 5.45455
14 3KDJ A8S 0.01576 0.40641 6.43564
15 2OX9 GAL NAG FUC 0.01525 0.4009 7.85714
16 4LO2 GAL BGC 0.01203 0.40891 8.16327
17 1G42 CP2 0.01235 0.40351 10.8108
18 1EC9 XYH 0.000715 0.42139 11.3111
19 1SQI 869 0.01632 0.40185 11.8252
20 5HCF BGC 0.01669 0.40794 14.3911
21 3DG6 MUC 0.0006283 0.46862 18.2561
22 3DGB MUC 0.0003931 0.45056 19.6335
23 3DER ALA LYS 0.000123 0.51307 23.7681
24 2HXT EHM 0.0000001655 0.64235 28.5714
25 3CXO 1N5 0.00001653 0.5388 29.8201
26 3CXO 3LR 0.00001523 0.53693 29.8201
27 2GGH NLQ 0.009812 0.41059 30.4
28 3UXL CFI 0.000002007 0.63955 31.0705
29 1TKK ALA GLU 0.0009265 0.46519 31.1475
30 2QJN KDG 0.0002261 0.45012 31.6195
31 2P8B NSK 0.0002159 0.40754 32.7913
32 3R1Z ALA DGL 0.00258 0.43883 41.1609
33 2PP3 LGT 0.00000002148 0.61 42.4165
Pocket No.: 2; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2dw7.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2dw7.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: 9
This union binding pocket(no: 4) in the query (biounit: 2dw7.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WPF FAD 0.02196 0.44819 1.54242
2 2XVF FAD 0.04336 0.40187 1.79949
3 4ZOM 4Q3 0.02258 0.40669 2.66667
4 1GQG DCD 0.01374 0.40867 3.14286
5 5FRE SIA GAL 0.01992 0.40374 3.60825
6 4ER2 IVA VAL VAL STA ALA STA 0.04878 0.40008 3.63636
7 4L9Z OXL 0.02624 0.40583 4.71976
8 3LVW GSH 0.02767 0.41013 5.39846
9 2E3N 6CM 0.01361 0.42276 6.66667
Pocket No.: 5; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: 12
This union binding pocket(no: 5) in the query (biounit: 2dw7.bio6) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1AJS PLA 0.02271 0.40496 2.57069
2 2Q8Z NUP 0.01535 0.41362 2.92398
3 3PDT ADP 0.01017 0.40984 3.27273
4 2YIP YIO 0.009709 0.40164 4.34783
5 2I6A 5I5 0.01979 0.40488 4.92754
6 2R5E QLP 0.01904 0.40406 5.14139
7 2Z6C FMN 0.02066 0.40055 5.42636
8 5FBN 5WF 0.04321 0.40156 6.64207
9 2RH1 CAU 0.01503 0.40558 6.6838
10 3GGO NAI 0.04002 0.41172 6.6879
11 3GGO ENO 0.04002 0.41172 6.6879
12 3R1Z ALA GLU 0.01365 0.4014 41.1609
Pocket No.: 6; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2dw7.bio6) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: 1
This union binding pocket(no: 7) in the query (biounit: 2dw7.bio5) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4L2I NAD 0.04639 0.40982 6.46388
Pocket No.: 8; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2dw7.bio5) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: 1
This union binding pocket(no: 9) in the query (biounit: 2dw7.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Q16 ITT 0.02499 0.40134 14.1553
Pocket No.: 10; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2dw7.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: 1
This union binding pocket(no: 11) in the query (biounit: 2dw7.bio8) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BV6 35G 0.02089 0.4003 3.94737
Pocket No.: 12; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2dw7.bio8) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: 1
This union binding pocket(no: 13) in the query (biounit: 2dw7.bio7) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3JRS A8S 0.01764 0.40741 6.25
Pocket No.: 14; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 2dw7.bio7) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: 12
This union binding pocket(no: 15) in the query (biounit: 2dw7.bio4) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UAO FAD 0.02198 0.42017 2.57069
2 2WET FAD 0.02117 0.42192 2.82776
3 4H6B 10Y 0.009581 0.40208 3.07692
4 4H6B 10X 0.01082 0.40198 3.07692
5 2VJ8 HA2 0.0373 0.40715 3.08483
6 1EU8 TRE 0.01929 0.40457 3.59897
7 2YIC TPP 0.01775 0.41197 4.11311
8 4S00 AKR 0.01153 0.40994 4.11311
9 1PVN MZP 0.04251 0.40415 4.52128
10 1WUB OTP 0.03864 0.40809 8.42697
11 2V73 SIA 0.0202 0.40298 12.5654
12 1SJD NPG 0.0002033 0.40216 24.7283
Pocket No.: 16; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 2dw7.bio4) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback