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: 5jrq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1uwhRCSB PDB    PDBbind276aa, >1UWH_1|Chains... at 99%
2fb8RCSB PDB    PDBbind281aa, >2FB8_1|Chains... at 99%
3c4cRCSB PDB    PDBbind280aa, >3C4C_1|Chains... at 94%
3d4qRCSB PDB    PDBbind307aa, >3D4Q_1|Chains... at 100%
3idpRCSB PDB    PDBbind300aa, >3IDP_1|Chains... at 99%
3ii5RCSB PDB    PDBbind306aa, >3II5_1|Chains... at 100%
3og7RCSB PDB    PDBbind289aa, >3OG7_1|Chains... at 93%
3ppjRCSB PDB    PDBbind307aa, >3PPJ_1|Chains... at 100%
3ppkRCSB PDB    PDBbind307aa, >3PPK_1|Chains... at 100%
3prfRCSB PDB    PDBbind307aa, >3PRF_1|Chains... at 100%
3psbRCSB PDB    PDBbind307aa, >3PSB_1|Chains... at 100%
3psdRCSB PDB    PDBbind307aa, >3PSD_1|Chains... at 100%
3q4cRCSB PDB    PDBbind307aa, >3Q4C_1|Chains... at 100%
3q96RCSB PDB    PDBbind282aa, >3Q96_1|Chains... at 99%
3skcRCSB PDB    PDBbind307aa, >3SKC_1|Chains... at 100%
3tv4RCSB PDB    PDBbind307aa, >3TV4_1|Chains... at 100%
3tv6RCSB PDB    PDBbind307aa, >3TV6_1|Chains... at 100%
4cqeRCSB PDB    PDBbind278aa, >4CQE_1|Chains... at 93%
4dbnRCSB PDB    PDBbind284aa, >4DBN_1|Chains... at 99%
4e26RCSB PDB    PDBbind307aa, >4E26_1|Chains... at 100%
4e4xRCSB PDB    PDBbind307aa, >4E4X_1|Chains... at 100%
4eheRCSB PDB    PDBbind307aa, >4EHE_1|Chains... at 100%
4ehgRCSB PDB    PDBbind307aa, >4EHG_1|Chains... at 99%
4fc0RCSB PDB    PDBbind284aa, >4FC0_1|Chains... at 99%
4g9cRCSB PDB    PDBbind307aa, >4G9C_1|Chains... at 100%
4h58RCSB PDB    PDBbind275aa, >4H58_1|Chains... at 100%
4kspRCSB PDB    PDBbind284aa, >4KSP_1|Chains... at 99%
4ksqRCSB PDB    PDBbind284aa, >4KSQ_1|Chains... at 99%
4mbjRCSB PDB    PDBbind304aa, >4MBJ_1|Chains... at 100%
4mneRCSB PDB    PDBbind308aa, >4MNE_2|Chains... *
4pp7RCSB PDB    PDBbind307aa, >4PP7_1|Chains... at 100%
4r5yRCSB PDB    PDBbind292aa, >4R5Y_1|Chains... at 93%
4xv1RCSB PDB    PDBbind292aa, >4XV1_1|Chains... at 92%
4xv2RCSB PDB    PDBbind292aa, >4XV2_1|Chains... at 92%
4xv3RCSB PDB    PDBbind292aa, >4XV3_1|Chains... at 92%
4xv9RCSB PDB    PDBbind292aa, >4XV9_1|Chain... at 93%
4yhtRCSB PDB    PDBbind272aa, >4YHT_1|Chains... at 98%
5cswRCSB PDB    PDBbind282aa, >5CSW_1|Chains... at 93%
5csxRCSB PDB    PDBbind282aa, >5CSX_1|Chain... at 93%
5ct7RCSB PDB    PDBbind281aa, >5CT7_1|Chains... at 99%
5fd2RCSB PDB    PDBbind300aa, >5FD2_1|Chains... at 100%
5jsmRCSB PDB    PDBbind280aa, >5JSM_1|Chains... at 92%
5jt2RCSB PDB    PDBbind280aa, >5JT2_1|Chains... at 92%
6b8uRCSB PDB    PDBbind281aa, >6B8U_1|Chains... at 99%
6nsqRCSB PDB    PDBbind284aa, >6NSQ_1|Chains... at 92%
6n0qRCSB PDB    PDBbind281aa, >6N0Q_1|Chains... at 99%
6n0pRCSB PDB    PDBbind273aa, >6N0P_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5jrq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman BRAF Kinase Domain mutant V600E
Ligand Name6N9
EC.Number E.C.2.7.11.1
Resolution 2.29(Å)
Affinity (Kd/Ki/IC50)IC50=169nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Acs Chem.Biol. Vol. 11: pp. 2876-2888
Ligand Properties
Formula C24H21F2N3O4S
Molecular Weight 485.503
Exact Mass 485.122
No. of atoms 55
No. of bonds 58
Polar Surface Area 109.53
LOGP Value 4.31      (Computed with XLOGP3)
6.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
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): P15056  
Entrez Gene IDNCBI Entrez Gene ID: 673  
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