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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 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 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 with APoc: 49
This union binding pocket(no: 1) in the query (biounit: 2dw7.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZQ0 ACR 1.54242
2 4G9N NGA 2.0979
3 1UZ4 IFL 2.31362
4 6CEP OXM 2.39521
5 3AI0 PNW 2.57069
6 4ZS4 ATP 2.9316
7 4GUT FAD 3.3419
8 4Q0P 0MK 3.46154
9 4C01 QY9 3.5461
10 2WQP WQP 3.72493
11 1GTE IUR 3.85604
12 1GTE FMN 3.85604
13 2YFT DQR 3.85604
14 5T7I LAT NAG GAL 3.87097
15 1TB3 FMN 3.97727
16 1GET FAD 4.11311
17 4S00 AKR 4.11311
18 3HPF GAE 4.37018
19 4YZ5 SLT 4.37018
20 4L9Z COA 4.71976
21 3Q8G PEE 5
22 4OUJ LBT 5.21173
23 5T46 MGP 5.45455
24 5YBN AKG 6.36943
25 3KDJ A8S 6.43564
26 3MA0 XYP 7.02875
27 5UR6 8KM 7.73481
28 4WVO 3UZ 7.85498
29 2OX9 GAL NAG FUC 7.85714
30 4LO2 GAL BGC 8.16327
31 1G42 CP2 10.8108
32 1EC9 XYH 11.3111
33 1SQI 869 11.8252
34 2ZQO NGA 13.8462
35 5HCF BGC 14.3911
36 3DG6 MUC 18.2561
37 3DGB MUC 19.6335
38 3DER ALA LYS 23.7681
39 1SJD NPG 24.7283
40 2HXT EHM 28.5714
41 3CXO 1N5 29.8201
42 3CXO 3LR 29.8201
43 2GGH NLQ 30.4
44 3UXL CFI 31.0705
45 1TKK ALA GLU 31.1475
46 2QJN KDG 31.6195
47 2P8B NSK 32.7913
48 3R1Z ALA DGL 41.1609
49 2PP3 LGT 42.4165
Pocket No.: 2; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 14
This union binding pocket(no: 2) in the query (biounit: 2dw7.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3B1Q NOS 1.84049
2 1AJS PLA 2.57069
3 2CHT TSA 3.93701
4 1GET NAP 4.11311
5 2YIP YIO 4.34783
6 1RBL CAP 4.58716
7 2MAS PIR 4.77707
8 2I6A 5I5 4.92754
9 2R5E QLP 5.14139
10 2R5C C6P 5.14139
11 3GGO NAI 6.6879
12 3GGO ENO 6.6879
13 5TVF PUT 10.5882
14 3R1Z ALA GLU 41.1609
Pocket No.: 3; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 8
This union binding pocket(no: 3) in the query (biounit: 2dw7.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1XLI GLT 2.57069
2 4R3U 3HC 4.62725
3 4R3U 3KK 4.62725
4 4L9Z OXL 4.71976
5 2Z6C FMN 5.42636
6 5ABX MGP 5.78947
7 4IID NOJ 6.16967
8 4L2I NAD 6.46388
Pocket No.: 4; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 23
This union binding pocket(no: 4) in the query (biounit: 2dw7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2WPF WPF 1.54242
2 2WPF FAD 1.54242
3 2XVF FAD 1.79949
4 3BEJ MUF 2.10084
5 1R27 MGD 2.57069
6 2Q8Z NUP 2.92398
7 1SLT NDG GAL 2.98507
8 2RAB NAD 3.08483
9 5EK3 5PK 3.08483
10 1GQG DCD 3.14286
11 5DKK FMN 3.44828
12 3ZXR P3S 3.59897
13 3ZXR IQ1 3.59897
14 5FRE SIA GAL 3.60825
15 4ER2 IVA VAL VAL STA ALA STA 3.63636
16 5ETR APC 4.34783
17 5ETR 5RW 4.34783
18 6GN6 GLC 4.37018
19 2WA4 069 5.15759
20 3LVW GSH 5.39846
21 1SZ0 M6P 5.65553
22 2E3N 6CM 6.66667
23 4D1J DGJ 7.71208
Pocket No.: 5; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 9
This union binding pocket(no: 5) in the query (biounit: 2dw7.bio6) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3WW2 SF6 2.34375
2 3WW2 LPK 2.34375
3 6FE1 V14 3.11284
4 3PDT ADP 3.27273
5 1E2S CSN 3.59897
6 5FBN 5WF 6.64207
7 2RH1 CAU 6.6838
8 1LNX URI 8.64198
9 3VPC ADP 11.7021
Pocket No.: 6; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 1
This union binding pocket(no: 6) in the query (biounit: 2dw7.bio6) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4UEC MGT 15.2174
Pocket No.: 7; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 6
This union binding pocket(no: 7) in the query (biounit: 2dw7.bio5) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4OIV XX9 2.21239
2 5MGD GLC GAL GAL 2.57069
3 5XGX DAS DLY 3.3419
4 5GSN FAD 4.37018
5 3X01 AMP 5.39846
6 3B8I OXL 6.96864
Pocket No.: 8; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 8
This union binding pocket(no: 8) in the query (biounit: 2dw7.bio5) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2P9H IPT 2.60223
2 4H6B 10X 3.07692
3 2RAB FAD 3.08483
4 6G0X RAM GLC GLA NAG NDG NAG 5.39846
5 5KY3 GFB 7.5
6 1WUB OTP 8.42697
7 1IZE IVA VAL VAL STA ALA STA 8.66873
8 5XSJ XYP 18.2432
Pocket No.: 9; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 3
This union binding pocket(no: 9) in the query (biounit: 2dw7.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5HQA ACR 2.57069
2 5OO5 UUA 4.03226
3 2Q16 ITT 14.1553
Pocket No.: 10; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 1
This union binding pocket(no: 10) in the query (biounit: 2dw7.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1U0A BGC BGC BGC BGC 10.2804
Pocket No.: 11; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 2
This union binding pocket(no: 11) in the query (biounit: 2dw7.bio8) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5C2H 4PX 2.48619
2 5BV6 35G 3.94737
Pocket No.: 12; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 3
This union binding pocket(no: 12) in the query (biounit: 2dw7.bio8) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4H6B 10Y 3.07692
2 1Q6D GLC GLC 3.08483
3 4RKC PMP 3.3419
Pocket No.: 13; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 5
This union binding pocket(no: 13) in the query (biounit: 2dw7.bio7) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3U2U UDP 3.80228
2 1SW1 PBE 5.09091
3 3JRS A8S 6.25
4 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 8
5 4LA7 A1O 12.4352
Pocket No.: 14; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 1
This union binding pocket(no: 14) in the query (biounit: 2dw7.bio7) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4IMG NGF 14.3345
Pocket No.: 15; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 14
This union binding pocket(no: 15) in the query (biounit: 2dw7.bio4) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4L1F FAD 1.56658
2 2C6Q NDP 1.9943
3 6GPA GAL 2.54777
4 5U8U FAD 2.57069
5 5UAO FAD 2.57069
6 2WET FAD 2.82776
7 4IVN BMX 2.8777
8 2VJ8 HA2 3.08483
9 1EU8 TRE 3.59897
10 2YIC TPP 4.11311
11 1PVN MZP 4.52128
12 1FEC FAD 6.16967
13 3GZ8 APR 11.7284
14 2V73 SIA 12.5654
Pocket No.: 16; Query (leader) PDB : 2DW7; Ligand: SRT; Similar sites found with APoc: 2
This union binding pocket(no: 16) in the query (biounit: 2dw7.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2NX1 RP5 5.99251
2 5VIT MLI 13.3803
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