Browse entries in the PDBbind-CN Database

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Related entries of code: 6ccl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6b7aRCSB PDB    PDBbind167aa, >6B7A_1|Chains... *
6b7bRCSB PDB    PDBbind167aa, >6B7B_1|Chains... at 100%
6b7cRCSB PDB    PDBbind167aa, >6B7C_1|Chains... at 100%
6b7dRCSB PDB    PDBbind167aa, >6B7D_1|Chains... at 100%
6b7eRCSB PDB    PDBbind167aa, >6B7E_1|Chains... at 100%
6b7fRCSB PDB    PDBbind167aa, >6B7F_1|Chains... at 100%
6cckRCSB PDB    PDBbind161aa, >6CCK_1|Chains... at 100%
6ccmRCSB PDB    PDBbind161aa, >6CCM_1|Chains... at 100%
6ccnRCSB PDB    PDBbind161aa, >6CCN_1|Chains... at 100%
6ccoRCSB PDB    PDBbind161aa, >6CCO_1|Chains... at 100%
6ccqRCSB PDB    PDBbind161aa, >6CCQ_1|Chains... at 100%
6ccsRCSB PDB    PDBbind161aa, >6CCS_1|Chains... at 100%
6chlRCSB PDB    PDBbind161aa, >6CHL_1|Chains... at 100%
6chmRCSB PDB    PDBbind161aa, >6CHM_1|Chains... at 100%
6chnRCSB PDB    PDBbind161aa, >6CHN_1|Chains... at 100%
6choRCSB PDB    PDBbind161aa, >6CHO_1|Chains... at 100%
6chpRCSB PDB    PDBbind161aa, >6CHP_1|Chains... at 100%
6chqRCSB PDB    PDBbind161aa, >6CHQ_1|Chains... at 100%
6ckwRCSB PDB    PDBbind161aa, >6CKW_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6ccl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namephosphopantetheine adenylyltransferase
Ligand NameEXG
EC.Number E.C.2.7.7.3
Resolution 1.77(Å)
Affinity (Kd/Ki/IC50)IC50=273uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 3309-3324
Ligand Properties
Formula C13H11N3
Molecular Weight 209.247
Exact Mass 209.095
No. of atoms 27
No. of bonds 29
Polar Surface Area 30.71
LOGP Value 2.30      (Computed with XLOGP3)
2.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
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): P0A6I6  
Entrez Gene IDNCBI Entrez Gene ID: 61752784  947386  
ASDInformation of known allosteric effects of PDB entries
 
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