Browse entries in the PDBbind-CN Database

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Related entries of code: 3pww
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1eedRCSB PDB    PDBbind330aa, >1EED_1|Chain... at 100%
1entRCSB PDB    PDBbind330aa, >1ENT_1|Chain... at 100%
1epoRCSB PDB    PDBbind330aa, >1EPO_1|Chain... at 100%
1eppRCSB PDB    PDBbind330aa, >1EPP_1|Chain... at 100%
1epqRCSB PDB    PDBbind330aa, >1EPQ_1|Chain... at 100%
1gvuRCSB PDB    PDBbind330aa, >1GVU_1|Chain... at 100%
1gvwRCSB PDB    PDBbind330aa, >1GVW_1|Chain... at 100%
1gvxRCSB PDB    PDBbind330aa, >1GVX_1|Chain... at 100%
2er0RCSB PDB    PDBbind330aa, >2ER0_1|Chain... at 100%
2er6RCSB PDB    PDBbind330aa, >2ER6_1|Chain... at 100%
2er9RCSB PDB    PDBbind330aa, >2ER9_1|Chain... at 100%
2v00RCSB PDB    PDBbind330aa, >2V00_1|Chain... at 100%
3er3RCSB PDB    PDBbind330aa, >3ER3_1|Chain... at 100%
3er5RCSB PDB    PDBbind330aa, >3ER5_1|Chain... at 100%
3prsRCSB PDB    PDBbind330aa, >3PRS_1|Chain... at 100%
3uriRCSB PDB    PDBbind330aa, >3URI_1|Chain... at 100%
3wz6RCSB PDB    PDBbind330aa, >3WZ6_1|Chain... at 100%
3wz7RCSB PDB    PDBbind330aa, >3WZ7_1|Chain... at 100%
3wz8RCSB PDB    PDBbind330aa, >3WZ8_1|Chain... at 100%
4er1RCSB PDB    PDBbind330aa, >4ER1_1|Chain... at 100%
4er2RCSB PDB    PDBbind330aa, >4ER2_1|Chain... at 100%
4er4RCSB PDB    PDBbind330aa, >4ER4_1|Chain... at 100%
4kupRCSB PDB    PDBbind330aa, >4KUP_1|Chain... at 100%
4lp9RCSB PDB    PDBbind330aa, >4LP9_1|Chain... at 100%
4y38RCSB PDB    PDBbind330aa, >4Y38_1|Chain... at 100%
4y3jRCSB PDB    PDBbind330aa, >4Y3J_1|Chain... at 100%
4y3yRCSB PDB    PDBbind330aa, >4Y3Y_1|Chain... at 100%
4y4gRCSB PDB    PDBbind330aa, >4Y4G_1|Chain... at 100%
4y4jRCSB PDB    PDBbind330aa, >4Y4J_1|Chain... at 100%
4ze6RCSB PDB    PDBbind330aa, >4ZE6_1|Chain... at 100%
5er1RCSB PDB    PDBbind330aa, >5ER1_1|Chain... at 100%
5er2RCSB PDB    PDBbind330aa, >5ER2_1|Chain... at 100%
5hctRCSB PDB    PDBbind419aa, >5HCT_1|Chain... *
5lwsRCSB PDB    PDBbind330aa, >5LWS_1|Chain... at 100%
5ojeRCSB PDB    PDBbind330aa, >5OJE_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hxbRCSB PDB    PDBbindROC
2nmyRCSB PDB    PDBbindROC
2nmzRCSB PDB    PDBbindROC
2nnkRCSB PDB    PDBbindROC
2nnpRCSB PDB    PDBbindROC
3cyxRCSB PDB    PDBbindROC
3d1xRCSB PDB    PDBbindROC
3d1yRCSB PDB    PDBbindROC
3ekqRCSB PDB    PDBbindROC
3el4RCSB PDB    PDBbindROC
3oxcRCSB PDB    PDBbindROC
3s56RCSB PDB    PDBbindROC
4qgiRCSB PDB    PDBbindROC
5kqxRCSB PDB    PDBbindROC
5kr2RCSB PDB    PDBbindROC

Entry Information
PDB ID3pww
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameEndothiapepsin, ETP
Ligand NameROC
EC.Number E.C.3.4.23.22
Resolution 1.22(Å)
Affinity (Kd/Ki/IC50)Ki=48nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Chemmedchem Vol. 7: pp. 248-261
Ligand Properties
Formula C38H51N6O5
Molecular Weight 671.849
Exact Mass 671.392
No. of atoms 100
No. of bonds 104
Polar Surface Area 167.95
LOGP Value 4.24      (Computed with XLOGP3)
5.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 11
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): P11838  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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