Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 5em6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1xkkRCSB PDB    PDBbind352aa, >1XKK_1|Chain... *
2itoRCSB PDB    PDBbind327aa, >2ITO_1|Chain... at 99%
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%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5em6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEGFR kinase domain (mutant TMLR)
Ligand Name5Q3
EC.Number E.C.2.7.10.1
Resolution 2.78(Å)
Affinity (Kd/Ki/IC50)Ki=0.004uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Acs Med.Chem.Lett.7, 100-104
Ligand Properties
Formula C21H25N8O2
Molecular Weight 421.476
Exact Mass 421.210
No. of atoms 56
No. of bonds 59
Polar Surface Area 133.47
LOGP Value 1.26      (Computed with XLOGP3)
2.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 10
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
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com