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: 2pe2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1okyRCSB PDB    PDBbind310aa, >1OKY_1|Chain... at 99%
1okzRCSB PDB    PDBbind310aa, >1OKZ_1|Chain... at 99%
1uu3RCSB PDB    PDBbind310aa, >1UU3_1|Chain... at 99%
1uu7RCSB PDB    PDBbind310aa, >1UU7_1|Chain... at 99%
1uu8RCSB PDB    PDBbind310aa, >1UU8_1|Chain... at 99%
1uu9RCSB PDB    PDBbind286aa, >1UU9_1|Chain... at 99%
1uvrRCSB PDB    PDBbind289aa, >1UVR_1|Chain... at 99%
1z5mRCSB PDB    PDBbind286aa, >1Z5M_1|Chain... at 99%
2pe0RCSB PDB    PDBbind286aa, >2PE0_1|Chain... at 99%
2pe1RCSB PDB    PDBbind286aa, >2PE1_1|Chain... at 99%
2r7bRCSB PDB    PDBbind312aa, >2R7B_1|Chain... at 98%
2xchRCSB PDB    PDBbind309aa, >2XCH_1|Chain... at 99%
2xckRCSB PDB    PDBbind309aa, >2XCK_1|Chain... at 99%
3h9oRCSB PDB    PDBbind311aa, >3H9O_1|Chain... at 99%
3hrfRCSB PDB    PDBbind311aa, >3HRF_1|Chain... at 98%
3ionRCSB PDB    PDBbind312aa, >3ION_1|Chain... at 98%
3iopRCSB PDB    PDBbind312aa, >3IOP_1|Chain... at 98%
3nusRCSB PDB    PDBbind286aa, >3NUS_1|Chain... at 99%
3nuuRCSB PDB    PDBbind286aa, >3NUU_1|Chain... at 99%
3nuyRCSB PDB    PDBbind286aa, >3NUY_1|Chain... at 99%
3qc4RCSB PDB    PDBbind314aa, >3QC4_1|Chains... *
3qcqRCSB PDB    PDBbind312aa, >3QCQ_1|Chain... at 98%
3qcsRCSB PDB    PDBbind312aa, >3QCS_1|Chain... at 98%
3qcxRCSB PDB    PDBbind312aa, >3QCX_1|Chain... at 98%
3qcyRCSB PDB    PDBbind312aa, >3QCY_1|Chain... at 98%
3qd0RCSB PDB    PDBbind312aa, >3QD0_1|Chain... at 98%
3qd3RCSB PDB    PDBbind312aa, >3QD3_1|Chain... at 98%
3qd4RCSB PDB    PDBbind312aa, >3QD4_1|Chain... at 98%
3rcjRCSB PDB    PDBbind311aa, >3RCJ_1|Chain... at 98%
3rwpRCSB PDB    PDBbind311aa, >3RWP_1|Chain... at 98%
3rwqRCSB PDB    PDBbind311aa, >3RWQ_1|Chain... at 99%
3sc1RCSB PDB    PDBbind311aa, >3SC1_1|Chain... at 99%
4rqkRCSB PDB    PDBbind311aa, >4RQK_1|Chain... at 98%
4rqvRCSB PDB    PDBbind311aa, >4RQV_1|Chain... at 98%
4rrvRCSB PDB    PDBbind311aa, >4RRV_1|Chain... at 98%
4xx9RCSB PDB    PDBbind310aa, >4XX9_1|Chain... at 98%
5hkmRCSB PDB    PDBbind309aa, >5HKM_1|Chain... at 99%
5hngRCSB PDB    PDBbind309aa, >5HNG_1|Chain... at 99%
5ho7RCSB PDB    PDBbind309aa, >5HO7_1|Chain... at 99%
5ho8RCSB PDB    PDBbind309aa, >5HO8_1|Chain... at 99%
5lvlRCSB PDB    PDBbind311aa, >5LVL_1|Chain... at 98%
5lvnRCSB PDB    PDBbind311aa, >5LVN_1|Chain... at 98%
5mrdRCSB PDB    PDBbind310aa, >5MRD_1|Chain... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2pe2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-phosphoinositide-dependent protein kinase 1
Ligand Name464
EC.Number E.C.2.7.11.1
Resolution 2.13(Å)
Affinity (Kd/Ki/IC50)IC50=4nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett. 17: 3819-3825
Ligand Properties
Formula C28H31N6O3
Molecular Weight 499.584
Exact Mass 499.246
No. of atoms 68
No. of bonds 72
Polar Surface Area 133.55
LOGP Value 2.11      (Computed with XLOGP3)
5.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
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): O15530  
Entrez Gene IDNCBI Entrez Gene ID: 5170  
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