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Related entries of code: 4eol
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1e9hRCSB PDB    PDBbind261aa, >1E9H_2|Chains... at 95%
1fvvRCSB PDB    PDBbind260aa, >1FVV_2|Chains... at 96%
1h1pRCSB PDB    PDBbind258aa, >1H1P_2|Chains... at 96%
1h1qRCSB PDB    PDBbind258aa, >1H1Q_2|Chains... at 96%
1h1rRCSB PDB    PDBbind258aa, >1H1R_2|Chains... at 96%
1h1sRCSB PDB    PDBbind258aa, >1H1S_2|Chains... at 96%
1h24RCSB PDB    PDBbind259aa, >1H24_2|Chains... at 96%
1oguRCSB PDB    PDBbind260aa, >1OGU_2|Chains... at 96%
1oi9RCSB PDB    PDBbind260aa, >1OI9_2|Chains... at 96%
1oiuRCSB PDB    PDBbind260aa, >1OIU_2|Chains... at 96%
1oiyRCSB PDB    PDBbind260aa, >1OIY_2|Chains... at 96%
1okvRCSB PDB    PDBbind260aa, >1OKV_2|Chains... at 96%
1okwRCSB PDB    PDBbind260aa, >1OKW_2|Chains... at 96%
1ol1RCSB PDB    PDBbind260aa, >1OL1_2|Chains... at 96%
1ol2RCSB PDB    PDBbind260aa, >1OL2_2|Chains... at 96%
1p5eRCSB PDB    PDBbind258aa, >1P5E_2|Chains... at 96%
1urcRCSB PDB    PDBbind260aa, >1URC_2|Chains... at 96%
1vywRCSB PDB    PDBbind265aa, >1VYW_2|Chains... at 94%
2bkzRCSB PDB    PDBbind265aa, >2BKZ_2|Chains... at 94%
2bpmRCSB PDB    PDBbind265aa, >2BPM_2|Chains... at 94%
2c4gRCSB PDB    PDBbind265aa, >2C4G_2|Chains... at 94%
2c5nRCSB PDB    PDBbind259aa, >2C5N_2|Chains... at 96%
2c5oRCSB PDB    PDBbind260aa, >2C5O_2|Chains... at 96%
2c5xRCSB PDB    PDBbind259aa, >2C5X_2|Chains... at 96%
2g9xRCSB PDB    PDBbind262aa, >2G9X_2|Chains... at 99%
2i40RCSB PDB    PDBbind260aa, >2I40_2|Chains... at 96%
2iw6RCSB PDB    PDBbind260aa, >2IW6_2|Chains... at 96%
2iw8RCSB PDB    PDBbind260aa, >2IW8_2|Chains... at 96%
2iw9RCSB PDB    PDBbind260aa, >2IW9_2|Chains... at 96%
2uueRCSB PDB    PDBbind259aa, >2UUE_2|Chains... at 96%
2uzbRCSB PDB    PDBbind258aa, >2UZB_2|Chains... at 96%
2uzdRCSB PDB    PDBbind258aa, >2UZD_2|Chains... at 96%
2uzeRCSB PDB    PDBbind258aa, >2UZE_2|Chains... at 96%
2uzlRCSB PDB    PDBbind258aa, >2UZL_2|Chains... at 96%
2v22RCSB PDB    PDBbind259aa, >2V22_2|Chains... at 96%
2wevRCSB PDB    PDBbind260aa, >2WEV_2|Chains... at 96%
2wihRCSB PDB    PDBbind265aa, >2WIH_2|Chains... at 94%
2wpaRCSB PDB    PDBbind265aa, >2WPA_2|Chains... at 94%
2wxvRCSB PDB    PDBbind265aa, >2WXV_2|Chains... at 94%
3ddpRCSB PDB    PDBbind268aa, >3DDP_2|Chains... at 100%
3ddqRCSB PDB    PDBbind269aa, >3DDQ_2|Chains... *
3dogRCSB PDB    PDBbind264aa, >3DOG_2|Chains... at 99%
3eidRCSB PDB    PDBbind260aa, >3EID_2|Chains... at 96%
3ej1RCSB PDB    PDBbind260aa, >3EJ1_2|Chains... at 96%
3eocRCSB PDB    PDBbind260aa, >3EOC_2|Chains... at 96%
3my5RCSB PDB    PDBbind262aa, >3MY5_2|Chains... at 100%
4bckRCSB PDB    PDBbind262aa, >4BCK_2|Chains... at 96%
4bcmRCSB PDB    PDBbind262aa, >4BCM_3|Chain... at 96%
4bcnRCSB PDB    PDBbind262aa, >4BCN_2|Chain... at 97%
4bcoRCSB PDB    PDBbind262aa, >4BCO_2|Chains... at 96%
4bcpRCSB PDB    PDBbind262aa, >4BCP_2|Chains... at 96%
4bcqRCSB PDB    PDBbind262aa, >4BCQ_3|Chain... at 97%
4cfmRCSB PDB    PDBbind258aa, >4CFM_2|Chains... at 96%
4cfuRCSB PDB    PDBbind262aa, >4CFU_3|Chain... at 98%
4cfvRCSB PDB    PDBbind262aa, >4CFV_2|Chains... at 98%
4cfwRCSB PDB    PDBbind258aa, >4CFW_2|Chains... at 96%
4cfxRCSB PDB    PDBbind260aa, >4CFX_2|Chains... at 96%
4eoiRCSB PDB    PDBbind258aa, >4EOI_2|Chains... at 96%
4eokRCSB PDB    PDBbind258aa, >4EOK_2|Chains... at 96%
4eonRCSB PDB    PDBbind258aa, >4EON_2|Chains... at 96%
4eopRCSB PDB    PDBbind258aa, >4EOP_2|Chains... at 96%
4eorRCSB PDB    PDBbind258aa, >4EOR_2|Chains... at 96%
4eosRCSB PDB    PDBbind258aa, >4EOS_2|Chains... at 96%
4i3zRCSB PDB    PDBbind257aa, >4I3Z_2|Chains... at 94%
5cyiRCSB PDB    PDBbind260aa, >5CYI_2|Chains... at 96%
5lmkRCSB PDB    PDBbind258aa, >5LMK_2|Chains... at 96%
5nevRCSB PDB    PDBbind260aa, >5NEV_2|Chains... at 96%
6gubRCSB PDB    PDBbind268aa, >6GUB_2|Chains... at 99%
6gucRCSB PDB    PDBbind268aa, >6GUC_2|Chains... at 99%
6gueRCSB PDB    PDBbind268aa, >6GUE_2|Chains... at 100%
6gufRCSB PDB    PDBbind268aa, >6GUF_2|Chains... at 99%
6p3wRCSB PDB    PDBbind257aa, >6P3W_2|Chains... at 96%
6gvaRCSB PDB    PDBbind258aa, >6GVA_2|Chain... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4eoiRCSB PDB    PDBbind1RO
4eonRCSB PDB    PDBbind1RO
4eopRCSB PDB    PDBbind1RO
4eosRCSB PDB    PDBbind1RO
Entry Information
PDB ID4eol
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCyclin-dependent kinase 2 (H84S, Q85M, K89D mutation)
Ligand Name1RO
EC.Number E.C.2.7.11.22
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=0.89uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Chem.Biol. Vol. 19: pp. 1028-1040
Ligand Properties
Formula C18H15N3OS2
Molecular Weight 353.461
Exact Mass 353.066
No. of atoms 39
No. of bonds 42
Polar Surface Area 107.89
LOGP Value 3.62      (Computed with XLOGP3)
3.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
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): P20248  P24941  
Entrez Gene IDNCBI Entrez Gene ID: 890  1017  
ASDInformation of known allosteric effects of PDB entries
 
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