Browse entries in the PDBbind-CN Database

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Related entries of code: 3r0t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2zjwRCSB PDB    PDBbind340aa, >2ZJW_1|Chain... at 96%
3at3RCSB PDB    PDBbind340aa, >3AT3_1|Chain... at 96%
3at4RCSB PDB    PDBbind340aa, >3AT4_1|Chain... at 96%
3bqcRCSB PDB    PDBbind335aa, >3BQC_1|Chain... at 97%
3h30RCSB PDB    PDBbind334aa, >3H30_1|Chains... at 97%
3mb6RCSB PDB    PDBbind331aa, >3MB6_1|Chain... at 98%
3mb7RCSB PDB    PDBbind331aa, >3MB7_1|Chain... at 98%
3ngaRCSB PDB    PDBbind333aa, >3NGA_1|Chains... at 98%
3owjRCSB PDB    PDBbind331aa, >3OWJ_1|Chain... at 98%
3owkRCSB PDB    PDBbind331aa, >3OWK_1|Chain... at 98%
3owlRCSB PDB    PDBbind331aa, >3OWL_1|Chain... at 98%
3pe1RCSB PDB    PDBbind337aa, >3PE1_1|Chain... at 97%
3pe2RCSB PDB    PDBbind337aa, >3PE2_1|Chain... at 97%
3u4uRCSB PDB    PDBbind333aa, >3U4U_1|Chain... at 98%
3u9cRCSB PDB    PDBbind335aa, >3U9C_1|Chains... at 97%
4fbxRCSB PDB    PDBbind335aa, >4FBX_1|Chain... at 97%
4kwpRCSB PDB    PDBbind336aa, >4KWP_1|Chain... at 97%
4rllRCSB PDB    PDBbind335aa, >4RLL_1|Chain... at 97%
5b0xRCSB PDB    PDBbind340aa, >5B0X_1|Chain... at 96%
5cquRCSB PDB    PDBbind335aa, >5CQU_1|Chain... at 97%
5cs6RCSB PDB    PDBbind352aa, >5CS6_1|Chains... *
5cshRCSB PDB    PDBbind352aa, >5CSH_1|Chains... at 100%
5cspRCSB PDB    PDBbind328aa, >5CSP_1|Chain... at 99%
5cu2RCSB PDB    PDBbind352aa, >5CU2_1|Chains... at 100%
5cu4RCSB PDB    PDBbind328aa, >5CU4_1|Chain... at 99%
5h8bRCSB PDB    PDBbind333aa, >5H8B_1|Chains... at 98%
5h8eRCSB PDB    PDBbind333aa, >5H8E_1|Chains... at 98%
5h8gRCSB PDB    PDBbind333aa, >5H8G_1|Chain... at 98%
5m44RCSB PDB    PDBbind335aa, >5M44_1|Chain... at 97%
5m4cRCSB PDB    PDBbind335aa, >5M4C_1|Chain... at 97%
5m4fRCSB PDB    PDBbind335aa, >5M4F_1|Chain... at 97%
5m4iRCSB PDB    PDBbind335aa, >5M4I_1|Chain... at 97%
5mo8RCSB PDB    PDBbind352aa, >5MO8_1|Chains... at 100%
5modRCSB PDB    PDBbind352aa, >5MOD_1|Chains... at 100%
5moeRCSB PDB    PDBbind352aa, >5MOE_1|Chains... at 100%
5n1vRCSB PDB    PDBbind342aa, >5N1V_1|Chains... at 95%
5n9kRCSB PDB    PDBbind335aa, >5N9K_1|Chain... at 97%
5n9lRCSB PDB    PDBbind335aa, >5N9L_1|Chain... at 97%
5n9nRCSB PDB    PDBbind335aa, >5N9N_1|Chain... at 97%
5oquRCSB PDB    PDBbind352aa, >5OQU_1|Chains... at 100%
5orhRCSB PDB    PDBbind352aa, >5ORH_1|Chains... at 100%
5orjRCSB PDB    PDBbind352aa, >5ORJ_1|Chains... at 100%
5orkRCSB PDB    PDBbind352aa, >5ORK_1|Chains... at 100%
5os7RCSB PDB    PDBbind352aa, >5OS7_1|Chains... at 100%
5os8RCSB PDB    PDBbind328aa, >5OS8_1|Chain... at 99%
5oslRCSB PDB    PDBbind342aa, >5OSL_1|Chain... at 95%
5otrRCSB PDB    PDBbind342aa, >5OTR_1|Chain... at 95%
5otzRCSB PDB    PDBbind342aa, >5OTZ_1|Chain... at 95%
5oulRCSB PDB    PDBbind342aa, >5OUL_1|Chain... at 95%
5owhRCSB PDB    PDBbind335aa, >5OWH_1|Chain... at 97%
5owlRCSB PDB    PDBbind335aa, >5OWL_1|Chains... at 97%
6gihRCSB PDB    PDBbind328aa, >6GIH_1|Chain... at 99%
6gmdRCSB PDB    PDBbind352aa, >6GMD_1|Chains... at 100%
6q4qRCSB PDB    PDBbind327aa, >6Q4Q_1|Chains... at 100%
6q38RCSB PDB    PDBbind327aa, >6Q38_1|Chain... at 100%
6jwaRCSB PDB    PDBbind340aa, >6JWA_1|Chain... at 96%
6houRCSB PDB    PDBbind336aa, >6HOU_1|Chain... at 97%
6hotRCSB PDB    PDBbind336aa, >6HOT_1|Chain... at 97%
6horRCSB PDB    PDBbind336aa, >6HOR_1|Chain... at 97%
6hoqRCSB PDB    PDBbind336aa, >6HOQ_1|Chain... at 97%
6hopRCSB PDB    PDBbind336aa, >6HOP_1|Chain... at 97%
6hbnRCSB PDB    PDBbind335aa, >6HBN_1|Chains... at 97%
6a1cRCSB PDB    PDBbind340aa, >6A1C_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3r0t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCasein kinase II subunit alpha, CK2
Ligand NameFU9
EC.Number E.C.2.7.11.1
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)IC50=0.91nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Biochemistry Vol. 50: pp. 8478-8488
Ligand Properties
Formula C22H16F3N5O2
Molecular Weight 439.390
Exact Mass 439.126
No. of atoms 48
No. of bonds 52
Polar Surface Area 100.03
LOGP Value 6.05      (Computed with XLOGP3)
5.36      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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): P68400  
Entrez Gene IDNCBI Entrez Gene ID: 1457  
ASDInformation of known allosteric effects of PDB entries
 
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