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: 33
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 DAS 0.521739 0.703704
11 ASP 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 HSE 0.5 0.75
15 DAB 0.5 0.777778
16 API 0.48 0.62069
17 AS2 0.48 0.692308
18 LEU 0.48 0.692308
19 CSO 0.48 0.677419
20 NVA 0.48 0.666667
21 GLU 0.444444 0.642857
22 DGL 0.444444 0.642857
23 GGL 0.444444 0.642857
24 DAL 0.428571 0.608696
25 ALA 0.428571 0.608696
26 ORN 0.428571 0.740741
27 NLE 0.413793 0.62069
28 3GC 0.405405 0.647059
29 DLY 0.4 0.714286
30 MED 0.4 0.666667
31 UN1 0.4 0.62069
32 11C 0.4 0.62069
33 MET 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A9Y; Ligand: CYS; Similar sites found: 11
This union binding pocket(no: 1) in the query (biounit: 3a9y.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DCP HBI 0.01 0.41122 1.92308
2 1GQ2 OXL 0.01316 0.40023 2.31481
3 4XJC TTP 0.005895 0.43628 2.82486
4 3QVL 5HY 0.008762 0.41548 4.08163
5 2WK9 PLG 0.03658 0.40825 4.62725
6 4XYM COA 0.0304 0.42139 5.65217
7 1ULE GLA GAL NAG 0.01094 0.4033 6
8 3JUT GTQ 0.002527 0.42233 6.15385
9 2P3V SRT 0.005722 0.41761 12.8906
10 1SQL GUN 0.01042 0.40761 13.6986
11 1ELU PDA 0.02498 0.40055 30
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