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Related entries of code: 5km1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5i2eRCSB PDB    PDBbind129aa, >5I2E_1|Chains... *
5i2fRCSB PDB    PDBbind129aa, >5I2F_1|Chains... at 100%
5ipcRCSB PDB    PDBbind129aa, >5IPC_1|Chains... at 99%
5klyRCSB PDB    PDBbind129aa, >5KLY_1|Chains... at 99%
5klzRCSB PDB    PDBbind129aa, >5KLZ_1|Chains... at 100%
5km0RCSB PDB    PDBbind129aa, >5KM0_1|Chains... at 100%
5km2RCSB PDB    PDBbind129aa, >5KM2_1|Chains... at 100%
5km3RCSB PDB    PDBbind129aa, >5KM3_1|Chains... at 100%
5kmaRCSB PDB    PDBbind129aa, >5KMA_1|Chains... at 99%
5wa8RCSB PDB    PDBbind129aa, >5WA8_1|Chains... at 99%
5wa9RCSB PDB    PDBbind129aa, >5WA9_1|Chains... at 99%
6n3yRCSB PDB    PDBbind129aa, >6N3Y_1|Chains... at 100%
6n3xRCSB PDB    PDBbind129aa, >6N3X_1|Chains... at 100%
6n3wRCSB PDB    PDBbind129aa, >6N3W_1|Chains... at 100%
6n3vRCSB PDB    PDBbind129aa, >6N3V_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1g9tRCSB PDB    PDBbind5GP
1qk3RCSB PDB    PDBbind5GP
2fxvRCSB PDB    PDBbind5GP
3kyfRCSB PDB    PDBbind5GP
3kygRCSB PDB    PDBbind5GP
3rl3RCSB PDB    PDBbind5GP
3rl4RCSB PDB    PDBbind5GP
4g0zRCSB PDB    PDBbind5GP
5k1dRCSB PDB    PDBbind5GP
5y61RCSB PDB    PDBbind5GP
5y62RCSB PDB    PDBbind5GP
6mxcRCSB PDB    PDBbind5GP
6hgsRCSB PDB    PDBbind5GP
Entry Information
PDB ID5km1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistidine triad nucleotide-binding protein 1
Ligand Name5GP
EC.Number E.C.-.-.-.-
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Kd=0.663uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Mol. Pharm. Vol. 14: pp. 3987-3997
Ligand Properties
Formula C10H16N5O8P
Molecular Weight 365.237
Exact Mass 365.074
No. of atoms 40
No. of bonds 42
Polar Surface Area 224.04
LOGP Value -3.26      (Computed with XLOGP3)
-3.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 13
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): P49773  
Entrez Gene IDNCBI Entrez Gene ID: 3094  
ASDInformation of known allosteric effects of PDB entries
 
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