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Related entries of code: 4h3q
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1g6gRCSB PDB    PDBbind13-mer
1gagRCSB PDB    PDBbind13-mer
1haaRCSB PDB    PDBbind13-mer
1hc9RCSB PDB    PDBbind13-mer
1i8hRCSB PDB    PDBbind13-mer
1j4pRCSB PDB    PDBbind13-mer
1j4qRCSB PDB    PDBbind13-mer
1juqRCSB PDB    PDBbind13-mer
1jwmRCSB PDB    PDBbind13-mer
1jwsRCSB PDB    PDBbind13-mer
1jwuRCSB PDB    PDBbind13-mer
1k3nRCSB PDB    PDBbind13-mer
1k3qRCSB PDB    PDBbind13-mer
1oebRCSB PDB    PDBbind13-mer
1opiRCSB PDB    PDBbind13-mer
1osvRCSB PDB    PDBbind13-mer
1ow6RCSB PDB    PDBbind13-mer
1ow7RCSB PDB    PDBbind13-mer
1ow8RCSB PDB    PDBbind13-mer
1p4uRCSB PDB    PDBbind13-mer
1r5vRCSB PDB    PDBbind13-mer
1r5wRCSB PDB    PDBbind13-mer
1rgjRCSB PDB    PDBbind13-mer
1sjhRCSB PDB    PDBbind13-mer
1sm3RCSB PDB    PDBbind13-mer
1thrRCSB PDB    PDBbind13-mer
1u9lRCSB PDB    PDBbind13-mer
1uefRCSB PDB    PDBbind13-mer
1yvhRCSB PDB    PDBbind13-mer
1ywhRCSB PDB    PDBbind13-mer
1zhkRCSB PDB    PDBbind13-mer
1zhlRCSB PDB    PDBbind13-mer
2a25RCSB PDB    PDBbind13-mer
2c9tRCSB PDB    PDBbind13-mer
2dwxRCSB PDB    PDBbind13-mer
2ftsRCSB PDB    PDBbind13-mer
2lasRCSB PDB    PDBbind13-mer
2lctRCSB PDB    PDBbind13-mer
2lspRCSB PDB    PDBbind13-mer
2ltoRCSB PDB    PDBbind13-mer
2lywRCSB PDB    PDBbind13-mer
2mc1RCSB PDB    PDBbind13-mer
2mkrRCSB PDB    PDBbind13-mer
2ndfRCSB PDB    PDBbind13-mer
2ndgRCSB PDB    PDBbind13-mer
2qkiRCSB PDB    PDBbind13-mer
2r0yRCSB PDB    PDBbind13-mer
2rnxRCSB PDB    PDBbind13-mer
2v87RCSB PDB    PDBbind13-mer
2vr3RCSB PDB    PDBbind13-mer
3askRCSB PDB    PDBbind13-mer
3bumRCSB PDB    PDBbind13-mer
3bunRCSB PDB    PDBbind13-mer
3buoRCSB PDB    PDBbind13-mer
3buwRCSB PDB    PDBbind13-mer
3buxRCSB PDB    PDBbind13-mer
3c3oRCSB PDB    PDBbind13-mer
3c3rRCSB PDB    PDBbind13-mer
3cojRCSB PDB    PDBbind13-mer
3e1rRCSB PDB    PDBbind13-mer
3eg6RCSB PDB    PDBbind13-mer
3emhRCSB PDB    PDBbind13-mer
3g2sRCSB PDB    PDBbind13-mer
3g2tRCSB PDB    PDBbind13-mer
3g2uRCSB PDB    PDBbind13-mer
3g2vRCSB PDB    PDBbind13-mer
3ml4RCSB PDB    PDBbind13-mer
3n5uRCSB PDB    PDBbind13-mer
3nfkRCSB PDB    PDBbind13-mer
3ntiRCSB PDB    PDBbind13-mer
3o1dRCSB PDB    PDBbind13-mer
3o1eRCSB PDB    PDBbind13-mer
3q5uRCSB PDB    PDBbind13-mer
3rqfRCSB PDB    PDBbind13-mer
3rqgRCSB PDB    PDBbind13-mer
3rz9RCSB PDB    PDBbind13-mer
3s7fRCSB PDB    PDBbind13-mer
3tdzRCSB PDB    PDBbind13-mer
3ui2RCSB PDB    PDBbind13-mer
4abiRCSB PDB    PDBbind13-mer
4abjRCSB PDB    PDBbind13-mer
4b9wRCSB PDB    PDBbind13-mer
4beaRCSB PDB    PDBbind13-mer
4bv2RCSB PDB    PDBbind13-mer
4f14RCSB PDB    PDBbind13-mer
4f20RCSB PDB    PDBbind13-mer
4ib5RCSB PDB    PDBbind13-mer
4jmgRCSB PDB    PDBbind13-mer
4jmhRCSB PDB    PDBbind13-mer
4l1uRCSB PDB    PDBbind13-mer
4m7cRCSB PDB    PDBbind13-mer
4mz5RCSB PDB    PDBbind13-mer
4mz6RCSB PDB    PDBbind13-mer
4n7hRCSB PDB    PDBbind13-mer
4po7RCSB PDB    PDBbind13-mer
4qh8RCSB PDB    PDBbind13-mer
4rmeRCSB PDB    PDBbind13-mer
4um9RCSB PDB    PDBbind13-mer
4umnRCSB PDB    PDBbind13-mer
4w4zRCSB PDB    PDBbind13-mer
4wj7RCSB PDB    PDBbind13-mer
4x3eRCSB PDB    PDBbind13-mer
4yjlRCSB PDB    PDBbind13-mer
4z0dRCSB PDB    PDBbind13-mer
4z0eRCSB PDB    PDBbind13-mer
4z0fRCSB PDB    PDBbind13-mer
5cilRCSB PDB    PDBbind13-mer
5dd0RCSB PDB    PDBbind13-mer
5dhfRCSB PDB    PDBbind13-mer
5dx3RCSB PDB    PDBbind13-mer
5dxbRCSB PDB    PDBbind13-mer
5dxeRCSB PDB    PDBbind13-mer
5dxgRCSB PDB    PDBbind13-mer
5e0mRCSB PDB    PDBbind13-mer
5eayRCSB PDB    PDBbind13-mer
5eyzRCSB PDB    PDBbind13-mer
5fyqRCSB PDB    PDBbind13-mer
5gg4RCSB PDB    PDBbind13-mer
5h1eRCSB PDB    PDBbind13-mer
5h7gRCSB PDB    PDBbind13-mer
5hyrRCSB PDB    PDBbind13-mer
5hyxRCSB PDB    PDBbind13-mer
5jr2RCSB PDB    PDBbind13-mer
5kgnRCSB PDB    PDBbind13-mer
5lgpRCSB PDB    PDBbind13-mer
5lu2RCSB PDB    PDBbind13-mer
5n8bRCSB PDB    PDBbind13-mer
5n8eRCSB PDB    PDBbind13-mer
5n8tRCSB PDB    PDBbind13-mer
5t6jRCSB PDB    PDBbind13-mer
5u6kRCSB PDB    PDBbind13-mer
5umzRCSB PDB    PDBbind13-mer
5vqiRCSB PDB    PDBbind13-mer
5wgdRCSB PDB    PDBbind13-mer
5wgqRCSB PDB    PDBbind13-mer
5yyzRCSB PDB    PDBbind13-mer
6bijRCSB PDB    PDBbind13-mer
6bilRCSB PDB    PDBbind13-mer
6binRCSB PDB    PDBbind13-mer
6birRCSB PDB    PDBbind13-mer
6bivRCSB PDB    PDBbind13-mer
6bixRCSB PDB    PDBbind13-mer
6biyRCSB PDB    PDBbind13-mer
6bnhRCSB PDB    PDBbind13-mer
6cf6RCSB PDB    PDBbind13-mer
6drtRCSB PDB    PDBbind13-mer
6e8kRCSB PDB    PDBbind13-mer
6e8mRCSB PDB    PDBbind13-mer
6o7gRCSB PDB    PDBbind13-mer
6o3yRCSB PDB    PDBbind13-mer
6nkpRCSB PDB    PDBbind13-mer
6n9tRCSB PDB    PDBbind13-mer
6n87RCSB PDB    PDBbind13-mer
6n7qRCSB PDB    PDBbind13-mer
6hy7RCSB PDB    PDBbind13-mer
6bcyRCSB PDB    PDBbind13-mer
5yy9RCSB PDB    PDBbind13-mer
5mtwRCSB PDB    PDBbind13-mer
Entry Information
PDB ID4h3q
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase 1 (R77A, E314A, I255G, C162S mutation)
Ligand Name13-mer
EC.Number E.C.2.7.11.24
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=8uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Acta Crystallogr.,Sect.D Vol. 69: pp. 486-489
Ligand Properties
Formula C58H107N16O14
Molecular Weight 1252.570
Exact Mass 1251.820
No. of atoms 195
No. of bonds 196
Polar Surface Area 481.34
LOGP Value 0.69      (Computed with XLOGP3)
-1.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 48
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 2
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): P36507  P28482  
Entrez Gene IDNCBI Entrez Gene ID: 5605  5594  
ASDInformation of known allosteric effects of PDB entries
 
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