Browse entries in the PDBbind-CN Database

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Related entries of code: 4n4s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1pmeRCSB PDB    PDBbind380aa, >1PME_1|Chain... at 96%
1tvoRCSB PDB    PDBbind368aa, >1TVO_1|Chain... at 97%
1wzyRCSB PDB    PDBbind368aa, >1WZY_1|Chain... at 97%
2ojgRCSB PDB    PDBbind380aa, >2OJG_1|Chain... at 97%
2ojiRCSB PDB    PDBbind380aa, >2OJI_1|Chain... at 97%
2ojjRCSB PDB    PDBbind380aa, >2OJJ_1|Chain... at 97%
3erkRCSB PDB    PDBbind364aa, >3ERK_1|Chain... at 100%
3i5zRCSB PDB    PDBbind380aa, >3I5Z_1|Chain... at 97%
3i60RCSB PDB    PDBbind380aa, >3I60_1|Chain... at 97%
3w55RCSB PDB    PDBbind368aa, >3W55_1|Chain... at 97%
4erkRCSB PDB    PDBbind364aa, >4ERK_1|Chain... at 100%
4i5hRCSB PDB    PDBbind359aa, >4I5H_1|Chain... at 98%
4o6eRCSB PDB    PDBbind368aa, >4O6E_1|Chain... at 97%
4qp1RCSB PDB    PDBbind369aa, >4QP1_1|Chains... at 98%
4qp2RCSB PDB    PDBbind369aa, >4QP2_1|Chains... at 98%
4qp6RCSB PDB    PDBbind369aa, >4QP6_1|Chains... at 98%
4qp7RCSB PDB    PDBbind369aa, >4QP7_1|Chains... at 98%
4qp8RCSB PDB    PDBbind369aa, >4QP8_1|Chains... at 98%
4qp9RCSB PDB    PDBbind369aa, >4QP9_1|Chain... at 98%
4qpaRCSB PDB    PDBbind369aa, >4QPA_1|Chains... at 98%
4qtaRCSB PDB    PDBbind361aa, >4QTA_1|Chain... at 99%
4qyyRCSB PDB    PDBbind365aa, >4QYY_1|Chain... at 99%
4xj0RCSB PDB    PDBbind349aa, >4XJ0_1|Chains... at 99%
5ax3RCSB PDB    PDBbind368aa, >5AX3_1|Chain... at 97%
5bueRCSB PDB    PDBbind361aa, >5BUE_1|Chain... at 99%
5buiRCSB PDB    PDBbind361aa, >5BUI_1|Chain... at 99%
5bujRCSB PDB    PDBbind361aa, >5BUJ_1|Chain... at 99%
5bvdRCSB PDB    PDBbind361aa, >5BVD_1|Chain... at 99%
5bveRCSB PDB    PDBbind361aa, >5BVE_1|Chain... at 99%
5bvfRCSB PDB    PDBbind361aa, >5BVF_1|Chain... at 99%
5k4iRCSB PDB    PDBbind352aa, >5K4I_1|Chain... at 99%
5ke0RCSB PDB    PDBbind366aa, >5KE0_1|Chain... at 99%
5lcjRCSB PDB    PDBbind368aa, >5LCJ_1|Chain... at 99%
5lckRCSB PDB    PDBbind360aa, >5LCK_1|Chain... at 99%
5nguRCSB PDB    PDBbind381aa, >5NGU_1|Chain... *
5nhfRCSB PDB    PDBbind381aa, >5NHF_1|Chain... at 100%
5nhhRCSB PDB    PDBbind381aa, >5NHH_1|Chain... at 100%
5nhjRCSB PDB    PDBbind381aa, >5NHJ_1|Chain... at 100%
5nhlRCSB PDB    PDBbind381aa, >5NHL_1|Chain... at 100%
5nhoRCSB PDB    PDBbind381aa, >5NHO_1|Chain... at 100%
5nhpRCSB PDB    PDBbind381aa, >5NHP_1|Chain... at 100%
5nhvRCSB PDB    PDBbind381aa, >5NHV_1|Chain... at 100%
6cpwRCSB PDB    PDBbind366aa, >6CPW_1|Chain... at 99%
6dcgRCSB PDB    PDBbind366aa, >6DCG_1|Chain... at 99%
6g91RCSB PDB    PDBbind368aa, >6G91_1|Chain... at 99%
6g92RCSB PDB    PDBbind368aa, >6G92_1|Chain... at 99%
6g93RCSB PDB    PDBbind368aa, >6G93_1|Chain... at 99%
6g97RCSB PDB    PDBbind368aa, >6G97_1|Chain... at 99%
6g9aRCSB PDB    PDBbind368aa, >6G9A_1|Chain... at 99%
6g9dRCSB PDB    PDBbind368aa, >6G9D_1|Chain... at 99%
6g9hRCSB PDB    PDBbind368aa, >6G9H_1|Chain... at 99%
6g9jRCSB PDB    PDBbind368aa, >6G9J_1|Chain... at 99%
6g9kRCSB PDB    PDBbind368aa, >6G9K_1|Chain... at 99%
6g9mRCSB PDB    PDBbind368aa, >6G9M_1|Chain... at 99%
6g9nRCSB PDB    PDBbind368aa, >6G9N_1|Chain... at 99%
6ge0RCSB PDB    PDBbind368aa, >6GE0_1|Chain... at 99%
6gjdRCSB PDB    PDBbind368aa, >6GJD_1|Chain... at 99%
6gjbRCSB PDB    PDBbind368aa, >6GJB_1|Chain... at 99%
6slgRCSB PDB    PDBbind381aa, >6SLG_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4n4s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase 1 (Q103A, C164L mutant), Rat Erk2
Ligand Name2H1
EC.Number E.C.2.7.11.24
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=133nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Chem.Biol. Vol. 21: pp. 628-635
Ligand Properties
Formula C25H24N6O
Molecular Weight 424.498
Exact Mass 424.201
No. of atoms 56
No. of bonds 60
Polar Surface Area 91.74
LOGP Value 4.63      (Computed with XLOGP3)
5.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P63086  
Entrez Gene IDNCBI Entrez Gene ID: 116590  
ASDInformation of known allosteric effects of PDB entries
 
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