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Related entries of code: 3km4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1bilRCSB PDB    PDBbind337aa, >1BIL_1|Chains... at 100%
1bimRCSB PDB    PDBbind337aa, >1BIM_1|Chains... at 100%
1hrnRCSB PDB    PDBbind337aa, >1HRN_1|Chains... at 100%
1rneRCSB PDB    PDBbind340aa, >1RNE_1|Chain... at 100%
2bksRCSB PDB    PDBbind340aa, >2BKS_1|Chains... at 100%
2bktRCSB PDB    PDBbind340aa, >2BKT_1|Chains... at 100%
2g1rRCSB PDB    PDBbind333aa, >2G1R_1|Chains... at 100%
2g1yRCSB PDB    PDBbind333aa, >2G1Y_1|Chains... at 100%
2g24RCSB PDB    PDBbind333aa, >2G24_1|Chains... at 100%
2ikoRCSB PDB    PDBbind340aa, >2IKO_1|Chains... at 100%
2ikuRCSB PDB    PDBbind340aa, >2IKU_1|Chains... at 100%
2il2RCSB PDB    PDBbind340aa, >2IL2_1|Chains... at 100%
2v0zRCSB PDB    PDBbind340aa, >2V0Z_1|Chains... at 100%
2v10RCSB PDB    PDBbind340aa, >2V10_1|Chains... at 100%
2v11RCSB PDB    PDBbind340aa, >2V11_1|Chains... at 100%
2v12RCSB PDB    PDBbind340aa, >2V12_1|Chains... at 100%
2v13RCSB PDB    PDBbind340aa, >2V13_1|Chain... at 100%
2v16RCSB PDB    PDBbind340aa, >2V16_1|Chains... at 100%
3d91RCSB PDB    PDBbind341aa, >3D91_1|Chains... *
3g6zRCSB PDB    PDBbind341aa, >3G6Z_1|Chains... at 100%
3g70RCSB PDB    PDBbind341aa, >3G70_1|Chains... at 100%
3g72RCSB PDB    PDBbind340aa, >3G72_1|Chains... at 100%
3gw5RCSB PDB    PDBbind337aa, >3GW5_1|Chains... at 100%
3o9lRCSB PDB    PDBbind176aa, >3O9L_2|Chains... at 97%
3oadRCSB PDB    PDBbind176aa, >3OAD_2|Chains... at 97%
3oagRCSB PDB    PDBbind176aa, >3OAG_2|Chains... at 97%
3ootRCSB PDB    PDBbind340aa, >3OOT_1|Chains... at 100%
3oqfRCSB PDB    PDBbind340aa, >3OQF_1|Chains... at 100%
3oqkRCSB PDB    PDBbind340aa, >3OQK_1|Chains... at 100%
3ownRCSB PDB    PDBbind341aa, >3OWN_1|Chains... at 100%
3q3tRCSB PDB    PDBbind340aa, >3Q3T_1|Chains... at 100%
3q4bRCSB PDB    PDBbind340aa, >3Q4B_1|Chains... at 100%
3q5hRCSB PDB    PDBbind340aa, >3Q5H_1|Chains... at 100%
3sfcRCSB PDB    PDBbind340aa, >3SFC_1|Chains... at 100%
3vswRCSB PDB    PDBbind340aa, >3VSW_1|Chains... at 100%
3vsxRCSB PDB    PDBbind340aa, >3VSX_1|Chains... at 100%
3vucRCSB PDB    PDBbind340aa, >3VUC_1|Chains... at 100%
3vydRCSB PDB    PDBbind340aa, >3VYD_1|Chains... at 100%
3vyeRCSB PDB    PDBbind340aa, >3VYE_1|Chains... at 100%
3vyfRCSB PDB    PDBbind340aa, >3VYF_1|Chains... at 100%
4gj6RCSB PDB    PDBbind340aa, >4GJ6_1|Chains... at 100%
4gj7RCSB PDB    PDBbind340aa, >4GJ7_1|Chains... at 100%
4gj8RCSB PDB    PDBbind340aa, >4GJ8_1|Chains... at 100%
4gj9RCSB PDB    PDBbind340aa, >4GJ9_1|Chains... at 100%
4gjaRCSB PDB    PDBbind340aa, >4GJA_1|Chains... at 100%
4gjbRCSB PDB    PDBbind340aa, >4GJB_1|Chains... at 100%
4gjcRCSB PDB    PDBbind340aa, >4GJC_1|Chains... at 100%
4gjdRCSB PDB    PDBbind340aa, >4GJD_1|Chains... at 100%
4pyvRCSB PDB    PDBbind340aa, >4PYV_1|Chains... at 100%
4q1nRCSB PDB    PDBbind340aa, >4Q1N_1|Chains... at 100%
4rycRCSB PDB    PDBbind340aa, >4RYC_1|Chains... at 100%
4rygRCSB PDB    PDBbind340aa, >4RYG_1|Chains... at 100%
4rz1RCSB PDB    PDBbind340aa, >4RZ1_1|Chains... at 100%
4s1gRCSB PDB    PDBbind340aa, >4S1G_1|Chains... at 100%
4xx3RCSB PDB    PDBbind340aa, >4XX3_1|Chains... at 100%
4xx4RCSB PDB    PDBbind340aa, >4XX4_1|Chains... at 100%
5koqRCSB PDB    PDBbind337aa, >5KOQ_1|Chains... at 100%
5kosRCSB PDB    PDBbind337aa, >5KOS_1|Chains... at 100%
5sxnRCSB PDB    PDBbind339aa, >5SXN_1|Chains... at 100%
5sy2RCSB PDB    PDBbind340aa, >5SY2_1|Chains... at 100%
5sy3RCSB PDB    PDBbind339aa, >5SY3_1|Chains... at 100%
5sz9RCSB PDB    PDBbind339aa, >5SZ9_1|Chains... at 100%
5v8vRCSB PDB    PDBbind337aa, >5V8V_1|Chains... at 100%
5vpmRCSB PDB    PDBbind337aa, >5VPM_1|Chains... at 100%
5vrpRCSB PDB    PDBbind337aa, >5VRP_1|Chains... at 100%
6i3fRCSB PDB    PDBbind340aa, >6I3F_2|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3km4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman renin in plasma (PRA)
Ligand Name22X
EC.Number E.C.3.4.23.15
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=1.3nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg.Med.Chem.Lett. Vol. 20: pp. 694-699
Ligand Properties
Formula C28H46ClN4O3
Molecular Weight 522.143
Exact Mass 521.326
No. of atoms 82
No. of bonds 84
Polar Surface Area 98.28
LOGP Value 4.35      (Computed with XLOGP3)
4.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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): P00797  
Entrez Gene IDNCBI Entrez Gene ID: 5972  
ASDInformation of known allosteric effects of PDB entries
 
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