Browse entries in the PDBbind-CN Database

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Related entries of code: 6esm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ovxRCSB PDB    PDBbind159aa, >2OVX_1|Chains... at 99%
2ovzRCSB PDB    PDBbind159aa, >2OVZ_1|Chains... at 99%
2ow0RCSB PDB    PDBbind159aa, >2OW0_1|Chains... at 99%
2ow1RCSB PDB    PDBbind159aa, >2OW1_1|Chains... at 99%
2ow2RCSB PDB    PDBbind159aa, >2OW2_1|Chains... at 99%
4wzvRCSB PDB    PDBbind160aa, >4WZV_1|Chains... at 99%
4xctRCSB PDB    PDBbind157aa, >4XCT_1|Chain... at 99%
5cuhRCSB PDB    PDBbind164aa, >5CUH_1|Chains... at 98%
5i12RCSB PDB    PDBbind157aa, >5I12_1|Chain... at 99%
5ue4RCSB PDB    PDBbind236aa, >5UE4_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6elaRCSB PDB    PDBbindB9Z
Entry Information
PDB ID6esm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMMP9
Ligand NameB9Z
EC.Number E.C.-.-.-.-
Resolution 1.1(Å)
Affinity (Kd/Ki/IC50)IC50=2960nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 4421-4435
Ligand Properties
Formula C24H22O5S
Molecular Weight 422.493
Exact Mass 422.119
No. of atoms 52
No. of bonds 54
Polar Surface Area 109.13
LOGP Value 7.58      (Computed with XLOGP3)
5.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): P14780  
Entrez Gene IDNCBI Entrez Gene ID: 4318  
ASDInformation of known allosteric effects of PDB entries
 
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