Browse entries in the PDBbind-CN Database

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Related entries of code: 3kr0
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%
3kqmRCSB PDB    PDBbind289aa, >3KQM_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%
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
1fv9RCSB PDB    PDBbind172

Entry Information
PDB ID3kr0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhenylethanolamine N-methyltransferase, PNMT
Ligand Name172
EC.Number E.C.2.1.1.28
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Kd=20uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochem.J. Vol. 431: pp. 51-61
Ligand Properties
Formula C7H7N3O
Molecular Weight 149.150
Exact Mass 149.059
No. of atoms 18
No. of bonds 19
Polar Surface Area 74.93
LOGP Value 0.78      (Computed with XLOGP3)
1.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
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): P11086  
Entrez Gene IDNCBI Entrez Gene ID: 5409  
ASDInformation of known allosteric effects of PDB entries

 
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