Browse entries in the PDBbind-CN Database

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Related entries of code: 2ito
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1xkkRCSB PDB    PDBbind352aa, >1XKK_1|Chain... *
2itpRCSB PDB    PDBbind327aa, >2ITP_1|Chain... at 99%
2ittRCSB PDB    PDBbind327aa, >2ITT_1|Chain... at 99%
2ityRCSB PDB    PDBbind327aa, >2ITY_1|Chain... at 100%
2itzRCSB PDB    PDBbind327aa, >2ITZ_1|Chain... at 99%
2j6mRCSB PDB    PDBbind327aa, >2J6M_1|Chain... at 100%
2jiuRCSB PDB    PDBbind328aa, >2JIU_1|Chains... at 99%
2rgpRCSB PDB    PDBbind315aa, >2RGP_1|Chain... at 100%
3belRCSB PDB    PDBbind315aa, >3BEL_1|Chain... at 100%
3ikaRCSB PDB    PDBbind331aa, >3IKA_1|Chains... at 98%
3pozRCSB PDB    PDBbind327aa, >3POZ_1|Chain... at 100%
3ug2RCSB PDB    PDBbind334aa, >3UG2_1|Chain... at 97%
3w2oRCSB PDB    PDBbind331aa, >3W2O_1|Chain... at 99%
3w2pRCSB PDB    PDBbind331aa, >3W2P_1|Chain... at 99%
3w2qRCSB PDB    PDBbind331aa, >3W2Q_1|Chain... at 99%
3w2rRCSB PDB    PDBbind331aa, >3W2R_1|Chain... at 99%
3w2sRCSB PDB    PDBbind330aa, >3W2S_1|Chain... at 99%
3w32RCSB PDB    PDBbind330aa, >3W32_1|Chain... at 99%
3w33RCSB PDB    PDBbind330aa, >3W33_1|Chain... at 99%
4jq7RCSB PDB    PDBbind328aa, >4JQ7_1|Chain... at 99%
4jq8RCSB PDB    PDBbind328aa, >4JQ8_1|Chain... at 99%
4jr3RCSB PDB    PDBbind328aa, >4JR3_1|Chain... at 99%
4jrvRCSB PDB    PDBbind328aa, >4JRV_1|Chain... at 99%
4li5RCSB PDB    PDBbind328aa, >4LI5_1|Chain... at 99%
4rj4RCSB PDB    PDBbind331aa, >4RJ4_1|Chain... at 97%
4rj5RCSB PDB    PDBbind331aa, >4RJ5_1|Chain... at 97%
4rj6RCSB PDB    PDBbind331aa, >4RJ6_1|Chain... at 97%
4rj7RCSB PDB    PDBbind331aa, >4RJ7_1|Chain... at 97%
4rj8RCSB PDB    PDBbind331aa, >4RJ8_1|Chain... at 97%
5c8kRCSB PDB    PDBbind331aa, >5C8K_1|Chain... at 97%
5c8mRCSB PDB    PDBbind331aa, >5C8M_1|Chain... at 97%
5c8nRCSB PDB    PDBbind331aa, >5C8N_1|Chain... at 97%
5calRCSB PDB    PDBbind331aa, >5CAL_1|Chain... at 97%
5canRCSB PDB    PDBbind331aa, >5CAN_1|Chain... at 97%
5caoRCSB PDB    PDBbind331aa, >5CAO_1|Chain... at 97%
5capRCSB PDB    PDBbind331aa, >5CAP_1|Chain... at 97%
5caqRCSB PDB    PDBbind331aa, >5CAQ_1|Chain... at 97%
5casRCSB PDB    PDBbind331aa, >5CAS_1|Chain... at 97%
5cauRCSB PDB    PDBbind331aa, >5CAU_1|Chain... at 97%
5cavRCSB PDB    PDBbind331aa, >5CAV_1|Chain... at 99%
5edqRCSB PDB    PDBbind331aa, >5EDQ_1|Chain... at 97%
5edrRCSB PDB    PDBbind331aa, >5EDR_1|Chain... at 97%
5em5RCSB PDB    PDBbind331aa, >5EM5_1|Chain... at 97%
5em6RCSB PDB    PDBbind331aa, >5EM6_1|Chain... at 97%
5em7RCSB PDB    PDBbind331aa, >5EM7_1|Chain... at 97%
5em8RCSB PDB    PDBbind331aa, >5EM8_1|Chain... at 99%
5gmpRCSB PDB    PDBbind331aa, >5GMP_1|Chain... at 98%
5gnkRCSB PDB    PDBbind297aa, >5GNK_1|Chain... at 98%
5gtyRCSB PDB    PDBbind331aa, >5GTY_1|Chains... at 98%
5hcxRCSB PDB    PDBbind331aa, >5HCX_1|Chain... at 97%
5hcyRCSB PDB    PDBbind331aa, >5HCY_1|Chain... at 97%
5hg5RCSB PDB    PDBbind329aa, >5HG5_1|Chain... at 99%
5hg7RCSB PDB    PDBbind329aa, >5HG7_1|Chain... at 99%
5hg8RCSB PDB    PDBbind329aa, >5HG8_1|Chain... at 99%
5hg9RCSB PDB    PDBbind329aa, >5HG9_1|Chain... at 99%
5j9yRCSB PDB    PDBbind323aa, >5J9Y_1|Chain... at 99%
5j9zRCSB PDB    PDBbind325aa, >5J9Z_1|Chain... at 99%
5ug8RCSB PDB    PDBbind329aa, >5UG8_1|Chain... at 99%
5ug9RCSB PDB    PDBbind329aa, >5UG9_1|Chain... at 99%
5ugaRCSB PDB    PDBbind329aa, >5UGA_1|Chain... at 99%
5ugbRCSB PDB    PDBbind329aa, >5UGB_1|Chain... at 100%
5ugcRCSB PDB    PDBbind329aa, >5UGC_1|Chain... at 99%
5x26RCSB PDB    PDBbind327aa, >5X26_1|Chain... at 99%
5x27RCSB PDB    PDBbind327aa, >5X27_1|Chain... at 99%
5x28RCSB PDB    PDBbind327aa, >5X28_1|Chain... at 99%
5yu9RCSB PDB    PDBbind331aa, >5YU9_1|Chains... at 98%
6d8eRCSB PDB    PDBbind327aa, >6D8E_1|Chain... at 100%
6p1lRCSB PDB    PDBbind327aa, >6P1L_1|Chains... at 99%
6p1dRCSB PDB    PDBbind327aa, >6P1D_1|Chains... at 99%
6jz0RCSB PDB    PDBbind326aa, >6JZ0_1|Chain... at 100%
6dukRCSB PDB    PDBbind331aa, >6DUK_1|Chains... at 98%
6s89RCSB PDB    PDBbind333aa, >6S89_1|Chain... at 96%
6s8aRCSB PDB    PDBbind333aa, >6S8A_1|Chain... at 96%
6s9bRCSB PDB    PDBbind326aa, >6S9B_1|Chain... at 98%
6s9cRCSB PDB    PDBbind329aa, >6S9C_1|Chain... at 97%
6s9dRCSB PDB    PDBbind329aa, >6S9D_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2ityRCSB PDB    PDBbindIRE
2itzRCSB PDB    PDBbindIRE
3ug2RCSB PDB    PDBbindIRE
5y7zRCSB PDB    PDBbindIRE
5y80RCSB PDB    PDBbindIRE
Entry Information
PDB ID2ito
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameepidermal growth factor receptor(EGFR) kinase domain G719S mutation
Ligand NameIRE
EC.Number E.C.2.7.10.1
Resolution 3.25(Å)
Affinity (Kd/Ki/IC50)Kd=123.6nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Cancer Cell Vol. 11: pp. 217
Ligand Properties
Formula C22H25ClFN4O3
Molecular Weight 447.910
Exact Mass 447.160
No. of atoms 56
No. of bonds 59
Polar Surface Area 69.94
LOGP Value 4.11      (Computed with XLOGP3)
4.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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): P00533  
Entrez Gene IDNCBI Entrez Gene ID: 1956  
ASDInformation of known allosteric effects of PDB entries
 
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