Browse entries in the PDBbind-CN Database

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Related entries of code: 6gdg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ah8RCSB PDB    PDBbind78aa, >3AH8_3|Chain... *
3krwRCSB PDB    PDBbind74aa, >3KRW_3|Chain... at 90%
3krxRCSB PDB    PDBbind74aa, >3KRX_3|Chain... at 90%
3pvuRCSB PDB    PDBbind74aa, >3PVU_3|Chain... at 90%
3pvwRCSB PDB    PDBbind74aa, >3PVW_3|Chain... at 90%
4mk0RCSB PDB    PDBbind59aa, >4MK0_3|Chain... at 100%
4pnkRCSB PDB    PDBbind71aa, >4PNK_3|Chain... at 100%
5he0RCSB PDB    PDBbind71aa, >5HE0_3|Chain... at 98%
5he1RCSB PDB    PDBbind71aa, >5HE1_3|Chain... at 100%
5he2RCSB PDB    PDBbind71aa, >5HE2_3|Chain... at 100%
5he3RCSB PDB    PDBbind71aa, >5HE3_3|Chain... at 98%
5ukkRCSB PDB    PDBbind57aa, >5UKK_3|Chain... at 100%
5uklRCSB PDB    PDBbind62aa, >5UKL_3|Chain... at 98%
5ukmRCSB PDB    PDBbind71aa, >5UKM_3|Chain... at 98%
5wg3RCSB PDB    PDBbind71aa, >5WG3_3|Chain... at 100%
5wg4RCSB PDB    PDBbind71aa, >5WG4_3|Chain... at 100%
5wg5RCSB PDB    PDBbind71aa, >5WG5_3|Chain... at 100%
6c2yRCSB PDB    PDBbind77aa, >6C2Y_3|Chain... at 92%
6n4bRCSB PDB    PDBbind71aa, >6N4B_3|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2ydvRCSB PDB    PDBbindNEC
5g53RCSB PDB    PDBbindNEC
6d28RCSB PDB    PDBbindNEC
Entry Information
PDB ID6gdg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTrxA,adenosine A2A receptor
Ligand NameNEC
EC.Number E.C.-.-.-.-
Resolution 4.11(Å)
Affinity (Kd/Ki/IC50)Ki=1.8nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Elife Vol. 7: pp. -
Ligand Properties
Formula C12H16N6O4
Molecular Weight 308.293
Exact Mass 308.123
No. of atoms 38
No. of bonds 40
Polar Surface Area 148.41
LOGP Value -1.54      (Computed with XLOGP3)
-0.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 10
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): P63092  P59768  P62873  P29274  P0AA25  
Entrez Gene IDNCBI Entrez Gene ID: 2778  54331  2782  135  62026099  948289  
ASDInformation of known allosteric effects of PDB entries
 
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