Receptor
PDB id Resolution Class Description Source Keywords
1SGJ 1.84 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF CITRATE LYASE BETA SUBUNIT DEINOCOCCUS RADIODURANS CITRATE LYASE BETA SUBUNIT TRIMER TIM BARREL STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC
Ref.: CRYSTAL STRUCTURE OF CITRATE LYASE BETA SUBUNIT TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:286;
B:286;
C:286;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
OAA A:285;
B:285;
C:285;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
131.064 C4 H3 O5 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SGJ 1.84 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF CITRATE LYASE BETA SUBUNIT DEINOCOCCUS RADIODURANS CITRATE LYASE BETA SUBUNIT TRIMER TIM BARREL STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC
Ref.: CRYSTAL STRUCTURE OF CITRATE LYASE BETA SUBUNIT TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 38 families.
1 1SGJ - OAA C4 H3 O5 C(C(=O)C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 1SGJ - OAA C4 H3 O5 C(C(=O)C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1SGJ - OAA C4 H3 O5 C(C(=O)C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OAA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OAA 1 1
2 MLI 0.5 0.666667
3 3PY 0.428571 0.681818
4 2KT 0.409091 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SGJ; Ligand: OAA; Similar sites found: 56
This union binding pocket(no: 1) in the query (biounit: 1sgj.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HV0 AKG 0.008918 0.41123 0.921659
2 1Y0G 8PP 0.01608 0.43314 1.05634
3 4YZN 4K5 0.01088 0.40005 1.76056
4 5EPQ OLA 0.001873 0.45855 1.82927
5 4EN4 GT0 0.02655 0.42352 2.11268
6 4EN4 GT1 0.02655 0.42352 2.11268
7 5INJ TRP 0.006411 0.40635 2.11268
8 2YVE MBT 0.002347 0.43998 2.16216
9 5E9X 5LA 0.0001889 0.54806 2.8169
10 3GDN HBX 0.01832 0.42951 2.8169
11 2XK9 XK9 0.03884 0.41595 3.16901
12 4IX4 ADP 0.01297 0.40459 3.16901
13 5FBN 5WF 0.004076 0.44365 3.32103
14 5H2U 1N1 0.005651 0.42137 3.74532
15 5BU3 4W9 0.0008449 0.47905 3.80435
16 3PE2 E1B 0.005001 0.46587 3.87324
17 2QF7 AGS 0.008447 0.42821 3.87324
18 5LUN OGA 0.004211 0.41592 3.87324
19 5BYZ 4WE 0.01726 0.4066 3.87324
20 5EFQ ADP 0.008554 0.40073 3.87324
21 4K39 SAM 0.01252 0.41253 4.22535
22 4K38 SAM 0.01403 0.41091 4.22535
23 1ZSQ PIB 0.01401 0.41172 4.57746
24 1JCM 137 0.0276 0.43624 4.6332
25 5DKK FMN 0.001382 0.43494 4.92958
26 1XIM XYL 0.01203 0.40459 4.92958
27 5K6N XYP 0.005049 0.40311 4.92958
28 4M69 ANP 0.005553 0.4126 5.11182
29 4CRL C1I 0.02125 0.40105 5.28169
30 3W9R A8S 0.0004379 0.47697 5.29101
31 1X1Z BMP 0.03024 0.40684 5.6338
32 3D78 NBB 0.01653 0.40702 5.88235
33 2NXW TPP 0.01349 0.41482 5.98592
34 5HZX 2GE 0.009165 0.40169 6.25
35 3OFM 4B0 0.002096 0.4462 6.28571
36 1K7W AS1 0.01859 0.41587 6.33803
37 2GTE VA 0.005148 0.42969 6.45161
38 3WYF GTP 0.02487 0.40802 6.84932
39 2ZYF AKG 0.005081 0.40786 8.80282
40 5JNN 6LM 0.0006187 0.49892 8.94737
41 2YAB AMP 0.01013 0.40644 9.15493
42 3W68 VIV 0.01988 0.40363 9.3985
43 4CCK OGA 0.01143 0.40198 9.50704
44 3NMV PYV 0.002109 0.43588 9.55056
45 5OO5 UUA 0.004774 0.42221 9.67742
46 5JO1 6LM 0.002529 0.43316 9.72973
47 5IXG OTP 0.03517 0.41231 10.0592
48 5A0R ACE GLU VAL ASN PRO 0.01225 0.40959 10.101
49 2Z77 NCA 0.01321 0.40193 12.2302
50 4P7X YCP 0.01042 0.43033 12.6761
51 4P7X AKG 0.01042 0.43033 12.6761
52 1QY1 PRZ 0.0008753 0.47183 13.2184
53 3Q8G PEE 0.042 0.40612 13.7324
54 4B5W PYR 0.01559 0.41455 14.4531
55 5DJT FMN 0.001125 0.45684 26.2295
56 1Z6K OAA 0.000001723 0.5348 47.5352
Pocket No.: 2; Query (leader) PDB : 1SGJ; Ligand: OAA; 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: 1sgj.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SGJ; Ligand: OAA; 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: 1sgj.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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