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Related entries of code: 4rqv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1okyRCSB PDB    PDBbind310aa, >1OKY_1|Chain... at 99%
1okzRCSB PDB    PDBbind310aa, >1OKZ_1|Chain... at 99%
1uu3RCSB PDB    PDBbind310aa, >1UU3_1|Chain... at 99%
1uu7RCSB PDB    PDBbind310aa, >1UU7_1|Chain... at 99%
1uu8RCSB PDB    PDBbind310aa, >1UU8_1|Chain... at 99%
1uu9RCSB PDB    PDBbind286aa, >1UU9_1|Chain... at 99%
1uvrRCSB PDB    PDBbind289aa, >1UVR_1|Chain... at 99%
1z5mRCSB PDB    PDBbind286aa, >1Z5M_1|Chain... at 99%
2pe0RCSB PDB    PDBbind286aa, >2PE0_1|Chain... at 99%
2pe1RCSB PDB    PDBbind286aa, >2PE1_1|Chain... at 99%
2pe2RCSB PDB    PDBbind286aa, >2PE2_1|Chain... at 99%
2r7bRCSB PDB    PDBbind312aa, >2R7B_1|Chain... at 98%
2xchRCSB PDB    PDBbind309aa, >2XCH_1|Chain... at 99%
2xckRCSB PDB    PDBbind309aa, >2XCK_1|Chain... at 99%
3h9oRCSB PDB    PDBbind311aa, >3H9O_1|Chain... at 99%
3hrfRCSB PDB    PDBbind311aa, >3HRF_1|Chain... at 98%
3ionRCSB PDB    PDBbind312aa, >3ION_1|Chain... at 98%
3iopRCSB PDB    PDBbind312aa, >3IOP_1|Chain... at 98%
3nusRCSB PDB    PDBbind286aa, >3NUS_1|Chain... at 99%
3nuuRCSB PDB    PDBbind286aa, >3NUU_1|Chain... at 99%
3nuyRCSB PDB    PDBbind286aa, >3NUY_1|Chain... at 99%
3qc4RCSB PDB    PDBbind314aa, >3QC4_1|Chains... *
3qcqRCSB PDB    PDBbind312aa, >3QCQ_1|Chain... at 98%
3qcsRCSB PDB    PDBbind312aa, >3QCS_1|Chain... at 98%
3qcxRCSB PDB    PDBbind312aa, >3QCX_1|Chain... at 98%
3qcyRCSB PDB    PDBbind312aa, >3QCY_1|Chain... at 98%
3qd0RCSB PDB    PDBbind312aa, >3QD0_1|Chain... at 98%
3qd3RCSB PDB    PDBbind312aa, >3QD3_1|Chain... at 98%
3qd4RCSB PDB    PDBbind312aa, >3QD4_1|Chain... at 98%
3rcjRCSB PDB    PDBbind311aa, >3RCJ_1|Chain... at 98%
3rwpRCSB PDB    PDBbind311aa, >3RWP_1|Chain... at 98%
3rwqRCSB PDB    PDBbind311aa, >3RWQ_1|Chain... at 99%
3sc1RCSB PDB    PDBbind311aa, >3SC1_1|Chain... at 99%
4rqkRCSB PDB    PDBbind311aa, >4RQK_1|Chain... at 98%
4rrvRCSB PDB    PDBbind311aa, >4RRV_1|Chain... at 98%
4xx9RCSB PDB    PDBbind310aa, >4XX9_1|Chain... at 98%
5hkmRCSB PDB    PDBbind309aa, >5HKM_1|Chain... at 99%
5hngRCSB PDB    PDBbind309aa, >5HNG_1|Chain... at 99%
5ho7RCSB PDB    PDBbind309aa, >5HO7_1|Chain... at 99%
5ho8RCSB PDB    PDBbind309aa, >5HO8_1|Chain... at 99%
5lvlRCSB PDB    PDBbind311aa, >5LVL_1|Chain... at 98%
5lvnRCSB PDB    PDBbind311aa, >5LVN_1|Chain... at 98%
5mrdRCSB PDB    PDBbind310aa, >5MRD_1|Chain... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4rqv
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name3-phosphoinositide-dependent protein kinase 1 PDK1
Ligand NameR2S
EC.Number E.C.2.7.11.1
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Kd=9uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Proc.Natl.Acad.Sci.USA Vol. 111: pp. 18590-18595
Ligand Properties
Formula C15H9ClN2O2S3
Molecular Weight 380.892
Exact Mass 379.951
No. of atoms 32
No. of bonds 35
Polar Surface Area 123.92
LOGP Value 5.22      (Computed with XLOGP3)
6.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
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): O15530  
Entrez Gene IDNCBI Entrez Gene ID: 5170  
ASDInformation of known allosteric effects of PDB entries
 
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