Browse entries in the PDBbind-CN Database

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Related entries of code: 3kqm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hnnRCSB PDB    PDBbind282aa, >1HNN_1|Chains... at 100%
1n7iRCSB PDB    PDBbind282aa, >1N7I_1|Chains... at 100%
1n7jRCSB PDB    PDBbind282aa, >1N7J_1|Chains... at 100%
1yz3RCSB PDB    PDBbind289aa, >1YZ3_1|Chains... *
2an5RCSB PDB    PDBbind289aa, >2AN5_1|Chains... at 100%
2g70RCSB PDB    PDBbind289aa, >2G70_1|Chains... at 100%
2g71RCSB PDB    PDBbind289aa, >2G71_1|Chains... at 100%
2g72RCSB PDB    PDBbind289aa, >2G72_1|Chains... at 100%
2g8nRCSB PDB    PDBbind289aa, >2G8N_1|Chains... at 100%
2obfRCSB PDB    PDBbind289aa, >2OBF_1|Chains... at 99%
2onyRCSB PDB    PDBbind289aa, >2ONY_1|Chains... at 100%
2onzRCSB PDB    PDBbind289aa, >2ONZ_1|Chains... at 99%
2opbRCSB PDB    PDBbind289aa, >2OPB_1|Chains... at 99%
3kpuRCSB PDB    PDBbind289aa, >3KPU_1|Chains... at 100%
3kpvRCSB PDB    PDBbind289aa, >3KPV_1|Chains... at 100%
3kpwRCSB PDB    PDBbind289aa, >3KPW_1|Chains... at 100%
3kqoRCSB PDB    PDBbind289aa, >3KQO_1|Chains... at 100%
3kqpRCSB PDB    PDBbind289aa, >3KQP_1|Chains... at 100%
3kqsRCSB PDB    PDBbind289aa, >3KQS_1|Chains... at 100%
3kqtRCSB PDB    PDBbind289aa, >3KQT_1|Chains... at 100%
3kqwRCSB PDB    PDBbind289aa, >3KQW_1|Chains... at 100%
3kqyRCSB PDB    PDBbind289aa, >3KQY_1|Chains... at 100%
3kr0RCSB PDB    PDBbind289aa, >3KR0_1|Chains... at 100%
3kr1RCSB PDB    PDBbind289aa, >3KR1_1|Chains... at 100%
3kr2RCSB PDB    PDBbind289aa, >3KR2_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4i7pRCSB PDB    PDBbindES3

Entry Information
PDB ID3kqm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhenylethanolamine N-methyltransferase, PNMT
Ligand NameES3
EC.Number E.C.2.1.1.28
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Kd=170uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochem.J. Vol. 431: pp. 51-61
Ligand Properties
Formula C3H3BrN2
Molecular Weight 146.973
Exact Mass 145.948
No. of atoms 9
No. of bonds 9
Polar Surface Area 28.68
LOGP Value 1.09      (Computed with XLOGP3)
1.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
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): P11086  
Entrez Gene IDNCBI Entrez Gene ID: 5409  
ASDInformation of known allosteric effects of PDB entries

 
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