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: 4qw3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3gpjRCSB PDB    PDBbind198aa, >3GPJ_10|Chains... *
3mg0RCSB PDB    PDBbind198aa, >3MG0_10|Chains... at 100%
3mg4RCSB PDB    PDBbind198aa, >3MG4_10|Chains... at 100%
3mg6RCSB PDB    PDBbind198aa, >3MG6_10|Chains... at 100%
3mg7RCSB PDB    PDBbind198aa, >3MG7_10|Chains... at 100%
3mg8RCSB PDB    PDBbind198aa, >3MG8_10|Chains... at 100%
3nzwRCSB PDB    PDBbind198aa, >3NZW_10|Chains... at 100%
3nzxRCSB PDB    PDBbind198aa, >3NZX_10|Chains... at 100%
3oeuRCSB PDB    PDBbind198aa, >3OEU_10|Chains... at 100%
3oevRCSB PDB    PDBbind198aa, >3OEV_10|Chains... at 100%
3sdiRCSB PDB    PDBbind198aa, >3SDI_10|Chains... at 100%
3sdkRCSB PDB    PDBbind198aa, >3SDK_10|Chains... at 100%
3shjRCSB PDB    PDBbind198aa, >3SHJ_10|Chains... at 100%
4fzcRCSB PDB    PDBbind198aa, >4FZC_10|Chains... at 100%
4fzgRCSB PDB    PDBbind198aa, >4FZG_10|Chains... at 100%
4g4sRCSB PDB    PDBbind198aa, >4G4S_11|Chain... at 100%
4gk7RCSB PDB    PDBbind198aa, >4GK7_10|Chains... at 100%
4hnpRCSB PDB    PDBbind198aa, >4HNP_10|Chains... at 100%
4hrcRCSB PDB    PDBbind198aa, >4HRC_10|Chains... at 100%
4hrdRCSB PDB    PDBbind198aa, >4HRD_10|Chains... at 100%
4inrRCSB PDB    PDBbind198aa, >4INR_10|Chains... at 100%
4intRCSB PDB    PDBbind198aa, >4INT_10|Chains... at 100%
4inuRCSB PDB    PDBbind198aa, >4INU_10|Chains... at 100%
4j70RCSB PDB    PDBbind198aa, >4J70_10|Chains... at 100%
4nnnRCSB PDB    PDBbind198aa, >4NNN_10|Chains... at 100%
4nnwRCSB PDB    PDBbind198aa, >4NNW_10|Chains... at 100%
4no1RCSB PDB    PDBbind198aa, >4NO1_10|Chains... at 100%
4no6RCSB PDB    PDBbind198aa, >4NO6_10|Chains... at 100%
4no8RCSB PDB    PDBbind198aa, >4NO8_10|Chains... at 100%
4no9RCSB PDB    PDBbind198aa, >4NO9_10|Chains... at 100%
4q1sRCSB PDB    PDBbind198aa, >4Q1S_10|Chains... at 100%
4qlqRCSB PDB    PDBbind198aa, >4QLQ_10|Chains... at 100%
4qlsRCSB PDB    PDBbind198aa, >4QLS_10|Chains... at 100%
4qltRCSB PDB    PDBbind198aa, >4QLT_10|Chains... at 100%
4qluRCSB PDB    PDBbind198aa, >4QLU_10|Chains... at 100%
4qlvRCSB PDB    PDBbind198aa, >4QLV_10|Chains... at 100%
4qvlRCSB PDB    PDBbind198aa, >4QVL_10|Chains... at 100%
4qvmRCSB PDB    PDBbind198aa, >4QVM_10|Chains... at 100%
4qvnRCSB PDB    PDBbind198aa, >4QVN_10|Chains... at 100%
4qvpRCSB PDB    PDBbind198aa, >4QVP_10|Chains... at 100%
4qvqRCSB PDB    PDBbind198aa, >4QVQ_10|Chains... at 100%
4qvvRCSB PDB    PDBbind198aa, >4QVV_10|Chains... at 100%
4qvwRCSB PDB    PDBbind198aa, >4QVW_10|Chains... at 100%
4qvyRCSB PDB    PDBbind198aa, >4QVY_10|Chains... at 100%
4qw0RCSB PDB    PDBbind198aa, >4QW0_10|Chains... at 100%
4qw1RCSB PDB    PDBbind198aa, >4QW1_10|Chains... at 100%
4qw4RCSB PDB    PDBbind198aa, >4QW4_10|Chains... at 100%
4qw5RCSB PDB    PDBbind198aa, >4QW5_10|Chains... at 100%
4qw6RCSB PDB    PDBbind198aa, >4QW6_10|Chains... at 100%
4qw7RCSB PDB    PDBbind198aa, >4QW7_10|Chains... at 100%
4qwfRCSB PDB    PDBbind198aa, >4QWF_10|Chains... at 100%
4qwgRCSB PDB    PDBbind198aa, >4QWG_10|Chains... at 100%
4qwiRCSB PDB    PDBbind198aa, >4QWI_10|Chains... at 100%
4qwjRCSB PDB    PDBbind198aa, >4QWJ_10|Chains... at 100%
4qwkRCSB PDB    PDBbind198aa, >4QWK_10|Chains... at 100%
4qwlRCSB PDB    PDBbind198aa, >4QWL_10|Chains... at 100%
4qwrRCSB PDB    PDBbind198aa, >4QWR_10|Chains... at 100%
4qwsRCSB PDB    PDBbind198aa, >4QWS_10|Chains... at 100%
4qwuRCSB PDB    PDBbind198aa, >4QWU_10|Chains... at 100%
4qwxRCSB PDB    PDBbind198aa, >4QWX_10|Chains... at 100%
4qxjRCSB PDB    PDBbind198aa, >4QXJ_10|Chains... at 100%
4qz0RCSB PDB    PDBbind198aa, >4QZ0_10|Chains... at 100%
4qz1RCSB PDB    PDBbind198aa, >4QZ1_10|Chains... at 100%
4qz2RCSB PDB    PDBbind198aa, >4QZ2_10|Chains... at 100%
4qz3RCSB PDB    PDBbind198aa, >4QZ3_10|Chains... at 100%
4qz4RCSB PDB    PDBbind198aa, >4QZ4_10|Chains... at 100%
4qz5RCSB PDB    PDBbind198aa, >4QZ5_10|Chains... at 100%
4qz6RCSB PDB    PDBbind198aa, >4QZ6_10|Chains... at 100%
4qz7RCSB PDB    PDBbind198aa, >4QZ7_10|Chains... at 100%
4qzwRCSB PDB    PDBbind198aa, >4QZW_10|Chains... at 100%
4qzxRCSB PDB    PDBbind198aa, >4QZX_10|Chains... at 100%
4r02RCSB PDB    PDBbind198aa, >4R02_10|Chains... at 100%
4r17RCSB PDB    PDBbind198aa, >4R17_10|Chains... at 100%
4r18RCSB PDB    PDBbind198aa, >4R18_10|Chains... at 100%
5ahjRCSB PDB    PDBbind198aa, >5AHJ_10|Chains... at 100%
6g7fRCSB PDB    PDBbind198aa, >6G7F_10|Chains... at 100%
6g8mRCSB PDB    PDBbind198aa, >6G8M_10|Chains... at 100%
6g8nRCSB PDB    PDBbind198aa, >6G8N_10|Chains... at 100%
6gopRCSB PDB    PDBbind198aa, >6GOP_10|Chains... at 100%
6hvwRCSB PDB    PDBbind198aa, >6HVW_10|Chains... at 100%
6hvvRCSB PDB    PDBbind198aa, >6HVV_10|Chains... at 100%
6hvuRCSB PDB    PDBbind198aa, >6HVU_10|Chains... at 100%
6hvtRCSB PDB    PDBbind198aa, >6HVT_10|Chains... at 100%
6hvrRCSB PDB    PDBbind198aa, >6HVR_10|Chains... at 100%
6hvaRCSB PDB    PDBbind198aa, >6HVA_10|Chains... at 100%
6hv7RCSB PDB    PDBbind198aa, >6HV7_10|Chains... at 100%
6hv5RCSB PDB    PDBbind198aa, >6HV5_10|Chains... at 100%
6hv4RCSB PDB    PDBbind198aa, >6HV4_10|Chains... at 100%
6huvRCSB PDB    PDBbind198aa, >6HUV_10|Chains... at 100%
6huuRCSB PDB    PDBbind198aa, >6HUU_10|Chains... at 100%
6huqRCSB PDB    PDBbind198aa, >6HUQ_10|Chains... at 100%
6hucRCSB PDB    PDBbind198aa, >6HUC_10|Chains... at 100%
6hubRCSB PDB    PDBbind198aa, >6HUB_10|Chains... at 100%
6htrRCSB PDB    PDBbind198aa, >6HTR_10|Chains... at 100%
6htpRCSB PDB    PDBbind198aa, >6HTP_10|Chains... at 100%
6htdRCSB PDB    PDBbind198aa, >6HTD_10|Chains... at 100%
6htcRCSB PDB    PDBbind198aa, >6HTC_10|Chains... at 100%
6hvsRCSB PDB    PDBbind198aa, >6HVS_10|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3mg0RCSB PDB    PDBbindBO2
4qvlRCSB PDB    PDBbindBO2
4qvmRCSB PDB    PDBbindBO2
4qvnRCSB PDB    PDBbindBO2
4qvpRCSB PDB    PDBbindBO2
4qvqRCSB PDB    PDBbindBO2
4qvvRCSB PDB    PDBbindBO2
4qvwRCSB PDB    PDBbindBO2
4qvyRCSB PDB    PDBbindBO2
4qw0RCSB PDB    PDBbindBO2
4qw1RCSB PDB    PDBbindBO2
4qwuRCSB PDB    PDBbindBO2
Entry Information
PDB ID4qw3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameyCP beta5-C63F mutant
Ligand NameBO2
EC.Number E.C.3.4.25.1
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=0.243uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Structure Vol. 23: pp. 407-417
Ligand Properties
Formula C19H25BN4O4
Molecular Weight 384.237
Exact Mass 384.197
No. of atoms 53
No. of bonds 54
Polar Surface Area 124.44
LOGP Value 1.42      (Computed with XLOGP3)
1.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
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): P21242  P21243  P22141  P23638  P23639  P23724  P25043  P25451  P30656  P30657  P32379  P38624  P40302  P40303  
Entrez Gene IDNCBI Entrez Gene ID: 854544  852873  856731  853036  854882  852239  854328  856830  856218  850611  853168  853456  855362  854119  
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