Related entries of code: 1pme
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1tvoRCSB PDB    PDBbind368aa, >1tvo_A... at 96%
1wzyRCSB PDB    PDBbind368aa, >1wzy_A... at 96%
2ojgRCSB PDB    PDBbind380aa, >2ojg_A... at 98%
2ojiRCSB PDB    PDBbind380aa, >2oji_A... at 98%
2ojjRCSB PDB    PDBbind380aa, >2ojj_A... at 98%
3erkRCSB PDB    PDBbind364aa, >3erk_A... at 98%
3i5zRCSB PDB    PDBbind380aa, >3i5z_A... at 98%
3i60RCSB PDB    PDBbind380aa, >3i60_A... at 98%
3w55RCSB PDB    PDBbind368aa, >3w55_A... at 96%
4erkRCSB PDB    PDBbind364aa, >4erk_A... at 98%
4i5hRCSB PDB    PDBbind359aa, >4i5h_A... at 97%
4n4sRCSB PDB    PDBbind359aa, >4n4s_B... at 97%
4o6eRCSB PDB    PDBbind368aa, >4o6e_A... at 98%
4qp1RCSB PDB    PDBbind369aa, >4qp1_B... at 98%
4qp2RCSB PDB    PDBbind369aa, >4qp2_B... at 98%
4qp6RCSB PDB    PDBbind369aa, >4qp6_B... at 98%
4qp7RCSB PDB    PDBbind369aa, >4qp7_B... at 98%
4qp8RCSB PDB    PDBbind369aa, >4qp8_B... at 98%
4qp9RCSB PDB    PDBbind369aa, >4qp9_A... at 98%
4qpaRCSB PDB    PDBbind369aa, >4qpa_B... at 98%
4qtaRCSB PDB    PDBbind361aa, >4qta_A... at 98%
4qyyRCSB PDB    PDBbind365aa, >4qyy_A... at 97%
4xj0RCSB PDB    PDBbind349aa, >4xj0_B... at 98%
5bueRCSB PDB    PDBbind361aa, >5bue_A... at 98%
5buiRCSB PDB    PDBbind361aa, >5bui_A... at 98%
5bujRCSB PDB    PDBbind361aa, >5buj_A... at 98%
5bvdRCSB PDB    PDBbind361aa, >5bvd_A... at 98%
5bveRCSB PDB    PDBbind361aa, >5bve_A... at 98%
5bvfRCSB PDB    PDBbind361aa, >5bvf_A... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1pme
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameerk2 map kinase
Ligand Name577
EC.Number E.C.2.7.1.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=0.4nM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary ReferenceProtein Sci. v7 pp. 2249-55, 1998
Ligand Properties
Formula C21H16FN3OS
Molecular Weight 377.435
Exact Mass 377.100
No. of atoms 43
No. of bonds 46
Polar Surface Area 77.85
LOGP Value 3.20      (Computed with XLOGP3)
5.55      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
ASDInformation of known allosteric effects of PDB entries

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