Browse entries in the PDBbind-CN Database

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Related entries of code: 5ali
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1vj5RCSB PDB    PDBbind555aa, >1VJ5_1|Chain... at 100%
1zd2RCSB PDB    PDBbind555aa, >1ZD2_1|Chain... at 100%
1zd3RCSB PDB    PDBbind555aa, >1ZD3_1|Chain... at 100%
1zd4RCSB PDB    PDBbind555aa, >1ZD4_1|Chain... at 100%
1zd5RCSB PDB    PDBbind555aa, >1ZD5_1|Chain... at 100%
3ansRCSB PDB    PDBbind336aa, >3ANS_1|Chains... at 97%
3antRCSB PDB    PDBbind336aa, >3ANT_1|Chains... at 97%
3i1yRCSB PDB    PDBbind555aa, >3I1Y_1|Chain... at 100%
3i28RCSB PDB    PDBbind555aa, >3I28_1|Chain... at 100%
3kooRCSB PDB    PDBbind555aa, >3KOO_1|Chain... at 100%
3otqRCSB PDB    PDBbind555aa, >3OTQ_1|Chain... at 100%
3pdcRCSB PDB    PDBbind344aa, >3PDC_1|Chains... at 93%
3wk4RCSB PDB    PDBbind561aa, >3WK4_1|Chain... *
3wk5RCSB PDB    PDBbind561aa, >3WK5_1|Chain... at 100%
3wk6RCSB PDB    PDBbind561aa, >3WK6_1|Chain... at 100%
3wk7RCSB PDB    PDBbind561aa, >3WK7_1|Chain... at 100%
3wk8RCSB PDB    PDBbind561aa, >3WK8_1|Chain... at 100%
3wk9RCSB PDB    PDBbind561aa, >3WK9_1|Chain... at 100%
3wkaRCSB PDB    PDBbind561aa, >3WKA_1|Chain... at 100%
3wkbRCSB PDB    PDBbind561aa, >3WKB_1|Chain... at 100%
3wkcRCSB PDB    PDBbind561aa, >3WKC_1|Chain... at 100%
3wkdRCSB PDB    PDBbind561aa, >3WKD_1|Chain... at 100%
3wkeRCSB PDB    PDBbind561aa, >3WKE_1|Chain... at 100%
4haiRCSB PDB    PDBbind555aa, >4HAI_1|Chain... at 100%
4j03RCSB PDB    PDBbind555aa, >4J03_1|Chain... at 100%
4jncRCSB PDB    PDBbind315aa, >4JNC_1|Chain... at 99%
4oczRCSB PDB    PDBbind555aa, >4OCZ_1|Chain... at 100%
4od0RCSB PDB    PDBbind555aa, >4OD0_1|Chain... at 100%
4x6xRCSB PDB    PDBbind336aa, >4X6X_1|Chains... at 97%
4x6yRCSB PDB    PDBbind336aa, >4X6Y_1|Chains... at 97%
4y2jRCSB PDB    PDBbind561aa, >4Y2J_1|Chain... at 100%
4y2pRCSB PDB    PDBbind561aa, >4Y2P_1|Chain... at 100%
4y2qRCSB PDB    PDBbind561aa, >4Y2Q_1|Chain... at 100%
4y2sRCSB PDB    PDBbind561aa, >4Y2S_1|Chain... at 100%
4y2tRCSB PDB    PDBbind561aa, >4Y2T_1|Chain... at 100%
4y2uRCSB PDB    PDBbind561aa, >4Y2U_1|Chain... at 100%
4y2vRCSB PDB    PDBbind561aa, >4Y2V_1|Chain... at 100%
4y2xRCSB PDB    PDBbind561aa, >4Y2X_1|Chain... at 100%
4y2yRCSB PDB    PDBbind561aa, >4Y2Y_1|Chain... at 100%
5ai0RCSB PDB    PDBbind549aa, >5AI0_1|Chain... at 99%
5ai4RCSB PDB    PDBbind549aa, >5AI4_1|Chain... at 99%
5ai5RCSB PDB    PDBbind549aa, >5AI5_1|Chain... at 99%
5ai6RCSB PDB    PDBbind549aa, >5AI6_1|Chain... at 99%
5ai8RCSB PDB    PDBbind549aa, >5AI8_1|Chain... at 99%
5ai9RCSB PDB    PDBbind549aa, >5AI9_1|Chain... at 99%
5aiaRCSB PDB    PDBbind549aa, >5AIA_1|Chain... at 99%
5aibRCSB PDB    PDBbind549aa, >5AIB_1|Chain... at 99%
5aicRCSB PDB    PDBbind549aa, >5AIC_1|Chain... at 99%
5ak3RCSB PDB    PDBbind549aa, >5AK3_1|Chain... at 99%
5ak4RCSB PDB    PDBbind549aa, >5AK4_1|Chain... at 99%
5ak5RCSB PDB    PDBbind549aa, >5AK5_1|Chain... at 99%
5ak6RCSB PDB    PDBbind549aa, >5AK6_1|Chain... at 99%
5akeRCSB PDB    PDBbind549aa, >5AKE_1|Chain... at 99%
5akgRCSB PDB    PDBbind549aa, >5AKG_1|Chain... at 99%
5akhRCSB PDB    PDBbind549aa, >5AKH_1|Chain... at 99%
5akiRCSB PDB    PDBbind549aa, >5AKI_1|Chain... at 99%
5akjRCSB PDB    PDBbind549aa, >5AKJ_1|Chain... at 99%
5akkRCSB PDB    PDBbind549aa, >5AKK_1|Chain... at 99%
5aklRCSB PDB    PDBbind549aa, >5AKL_1|Chain... at 99%
5akzRCSB PDB    PDBbind549aa, >5AKZ_1|Chain... at 99%
5aldRCSB PDB    PDBbind549aa, >5ALD_1|Chain... at 99%
5aleRCSB PDB    PDBbind549aa, >5ALE_1|Chain... at 99%
5alfRCSB PDB    PDBbind549aa, >5ALF_1|Chain... at 99%
5algRCSB PDB    PDBbind549aa, >5ALG_1|Chain... at 99%
5alhRCSB PDB    PDBbind549aa, >5ALH_1|Chain... at 99%
5aljRCSB PDB    PDBbind549aa, >5ALJ_1|Chain... at 99%
5alkRCSB PDB    PDBbind549aa, >5ALK_1|Chain... at 99%
5allRCSB PDB    PDBbind549aa, >5ALL_1|Chain... at 99%
5almRCSB PDB    PDBbind549aa, >5ALM_1|Chain... at 99%
5alnRCSB PDB    PDBbind549aa, >5ALN_1|Chain... at 99%
5aloRCSB PDB    PDBbind549aa, >5ALO_1|Chain... at 99%
5alpRCSB PDB    PDBbind549aa, >5ALP_1|Chain... at 99%
5alrRCSB PDB    PDBbind549aa, >5ALR_1|Chain... at 99%
5alsRCSB PDB    PDBbind549aa, >5ALS_1|Chain... at 99%
5altRCSB PDB    PDBbind549aa, >5ALT_1|Chain... at 99%
5aluRCSB PDB    PDBbind549aa, >5ALU_1|Chain... at 99%
5alvRCSB PDB    PDBbind549aa, >5ALV_1|Chain... at 99%
5alwRCSB PDB    PDBbind549aa, >5ALW_1|Chain... at 99%
5alxRCSB PDB    PDBbind549aa, >5ALX_1|Chain... at 99%
5alyRCSB PDB    PDBbind549aa, >5ALY_1|Chain... at 99%
5alzRCSB PDB    PDBbind549aa, >5ALZ_1|Chain... at 99%
5am0RCSB PDB    PDBbind549aa, >5AM0_1|Chain... at 99%
5am1RCSB PDB    PDBbind549aa, >5AM1_1|Chain... at 99%
5am2RCSB PDB    PDBbind549aa, >5AM2_1|Chain... at 99%
5am3RCSB PDB    PDBbind549aa, >5AM3_1|Chain... at 99%
5am4RCSB PDB    PDBbind549aa, >5AM4_1|Chain... at 99%
5am5RCSB PDB    PDBbind549aa, >5AM5_1|Chain... at 99%
5fp0RCSB PDB    PDBbind549aa, >5FP0_1|Chain... at 99%
6aumRCSB PDB    PDBbind555aa, >6AUM_1|Chain... at 100%
6fr2RCSB PDB    PDBbind346aa, >6FR2_1|Chain... at 98%
6i5gRCSB PDB    PDBbind344aa, >6I5G_1|Chains... at 94%
6hgxRCSB PDB    PDBbind346aa, >6HGX_1|Chain... at 98%
6hgvRCSB PDB    PDBbind346aa, >6HGV_1|Chain... at 98%
5mwaRCSB PDB    PDBbind245aa, >5MWA_1|Chain... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5ali
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBIFUNCTIONAL EPOXIDE HYDROLASE 2
Ligand NameQ3B
EC.Number E.C.3.1.3.76
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50<0.086uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Drug Discov Today Vol. 20: pp. 1104-1111
Ligand Properties
Formula C27H26N8O3S
Molecular Weight 542.612
Exact Mass 542.185
No. of atoms 65
No. of bonds 70
Polar Surface Area 170.34
LOGP Value 2.97      (Computed with XLOGP3)
5.76      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 6
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): P34913  
Entrez Gene IDNCBI Entrez Gene ID: 2053  
ASDInformation of known allosteric effects of PDB entries
 
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