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Receptor
PDB id Resolution Class Description Source Keywords
3A9Y 1.85 Å EC: 4.4.1.16 CRYSTAL STRUCTURE OF RAT SELENOCYSTEINE LYASE IN COMPLEX WIT CYSTEINE RATTUS NORVEGICUS SELENOCYSTEINE PLP LYASE PYRIDOXAL PHOSPHATE TRANSFERASE
Ref.: REACTION MECHANISM AND MOLECULAR BASIS FOR SELENIUM DISCRIMINATION OF SELENOCYSTEINE LYASE. J.BIOL.CHEM. V. 285 12133 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:601;
Valid;
none;
Ki = 9.6 mM
121.158 C3 H7 N O2 S C([C@...
CYS PLP B:601;
Part of Protein;
none;
submit data n/a n/a n/a n/a
GOL A:502;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PLP A:501;
Part of Protein;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
PO4 A:503;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A9Y 1.85 Å EC: 4.4.1.16 CRYSTAL STRUCTURE OF RAT SELENOCYSTEINE LYASE IN COMPLEX WIT CYSTEINE RATTUS NORVEGICUS SELENOCYSTEINE PLP LYASE PYRIDOXAL PHOSPHATE TRANSFERASE
Ref.: REACTION MECHANISM AND MOLECULAR BASIS FOR SELENIUM DISCRIMINATION OF SELENOCYSTEINE LYASE. J.BIOL.CHEM. V. 285 12133 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3A9Y Ki = 9.6 mM CYS C3 H7 N O2 S C([C@@H](C....
2 3A9Z - SLP C3 H6 O2 Se C(C[SeH])C....
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 3A9Y Ki = 9.6 mM CYS C3 H7 N O2 S C([C@@H](C....
2 3A9Z - SLP C3 H6 O2 Se C(C[SeH])C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3A9Y Ki = 9.6 mM CYS C3 H7 N O2 S C([C@@H](C....
2 3A9Z - SLP C3 H6 O2 Se C(C[SeH])C....
3 4R5F - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 4HVK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CYS; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 CYS 1 1
2 DCY 1 1
3 DSN 0.65 0.84
4 SER 0.65 0.84
5 HCS 0.608696 0.916667
6 2RA 0.571429 0.807692
7 ABA 0.571429 0.75
8 DBB 0.571429 0.75
9 C2N 0.545455 0.791667
10 ASP 0.521739 0.703704
11 DAS 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 DAB 0.5 0.777778
15 HSE 0.5 0.75
16 LEU 0.48 0.692308
17 AS2 0.48 0.692308
18 API 0.48 0.62069
19 NVA 0.48 0.666667
20 CSO 0.48 0.677419
21 HL5 0.448276 0.740741
22 GLU 0.444444 0.642857
23 DGL 0.444444 0.642857
24 GGL 0.444444 0.642857
25 ORN 0.428571 0.740741
26 ALA 0.428571 0.608696
27 DAL 0.428571 0.608696
28 NLE 0.413793 0.62069
29 3GC 0.405405 0.647059
30 UN1 0.4 0.62069
31 MED 0.4 0.666667
32 DLY 0.4 0.714286
33 MET 0.4 0.666667
34 11C 0.4 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A9Y; Ligand: CYS; Similar sites found with APoc: 26
This union binding pocket(no: 1) in the query (biounit: 3a9y.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZRR PXG 1.5625
2 1DCP HBI 1.92308
3 1HV6 MAW MAV GCU 2.2792
4 1GQ2 OXL 2.31481
5 1UP7 NAD 2.39808
6 4JNA FAD 2.64706
7 1E8G FAD 2.77778
8 4XJC TTP 2.82486
9 4A3R CIT 3.02326
10 3QVL 5HY 4.08163
11 2WK9 PLG 4.62725
12 2AL2 PEP 5.55556
13 4XYM COA 5.65217
14 1ULE GLA GAL NAG 6
15 1Y79 GLY ASP 6.01852
16 3K1X DBX 6.15385
17 1C96 FLC 6.25
18 4AZJ SEP PLP 6.94444
19 1Z08 GNP 8.82353
20 5LQ8 GB 9.57447
21 5ZZO FLC 9.95025
22 5ODQ 9SB 10
23 2P3V SRT 12.8906
24 1SQL GUN 13.6986
25 1ELU PDA 30
26 5J8Q ALA 33.5749
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