Browse entries in the PDBbind-CN Database

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Related entries of code: 3ioc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3cowRCSB PDB    PDBbind301aa, >3COW_1|Chains... at 99%
3coyRCSB PDB    PDBbind301aa, >3COY_1|Chains... at 99%
3cozRCSB PDB    PDBbind301aa, >3COZ_1|Chains... at 99%
3imcRCSB PDB    PDBbind301aa, >3IMC_1|Chains... at 99%
3imeRCSB PDB    PDBbind301aa, >3IME_1|Chains... at 99%
3imgRCSB PDB    PDBbind301aa, >3IMG_1|Chains... at 99%
3iobRCSB PDB    PDBbind301aa, >3IOB_1|Chains... at 99%
3iodRCSB PDB    PDBbind301aa, >3IOD_1|Chains... at 99%
3ioeRCSB PDB    PDBbind301aa, >3IOE_1|Chains... at 99%
3isjRCSB PDB    PDBbind300aa, >3ISJ_1|Chains... at 100%
3iubRCSB PDB    PDBbind301aa, >3IUB_1|Chains... at 100%
3iueRCSB PDB    PDBbind301aa, >3IUE_1|Chains... at 100%
3ivcRCSB PDB    PDBbind301aa, >3IVC_1|Chains... at 100%
3ivgRCSB PDB    PDBbind301aa, >3IVG_1|Chains... at 100%
3ivxRCSB PDB    PDBbind301aa, >3IVX_1|Chains... at 100%
3le8RCSB PDB    PDBbind300aa, >3LE8_1|Chains... at 100%
4ddhRCSB PDB    PDBbind301aa, >4DDH_1|Chains... at 100%
4ddkRCSB PDB    PDBbind301aa, >4DDK_1|Chains... at 100%
4ddmRCSB PDB    PDBbind301aa, >4DDM_1|Chains... at 100%
4de5RCSB PDB    PDBbind301aa, >4DE5_1|Chains... at 100%
4ef6RCSB PDB    PDBbind300aa, >4EF6_1|Chains... at 100%
4efkRCSB PDB    PDBbind300aa, >4EFK_1|Chains... at 100%
4fzjRCSB PDB    PDBbind301aa, >4FZJ_1|Chains... at 100%
4g5fRCSB PDB    PDBbind309aa, >4G5F_1|Chains... *
4g5yRCSB PDB    PDBbind301aa, >4G5Y_1|Chains... at 99%
4mq6RCSB PDB    PDBbind309aa, >4MQ6_1|Chains... at 100%
4mueRCSB PDB    PDBbind300aa, >4MUE_1|Chains... at 100%
4mufRCSB PDB    PDBbind300aa, >4MUF_1|Chains... at 100%
4mukRCSB PDB    PDBbind300aa, >4MUK_1|Chains... at 100%
4mulRCSB PDB    PDBbind300aa, >4MUL_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3ioc
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMycobacterium Tuberculosis Pantothenate Synthetase
Ligand NameA5D
EC.Number E.C.6.3.2.1
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=210uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Chembiochem Vol. 10: pp. 2772-2779
Ligand Properties
Formula C17H19N5O3S2
Molecular Weight 405.494
Exact Mass 405.093
No. of atoms 46
No. of bonds 49
Polar Surface Area 169.91
LOGP Value 0.41      (Computed with XLOGP3)
2.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
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): P9WIL5  
Entrez Gene IDNCBI Entrez Gene ID: 885459  
ASDInformation of known allosteric effects of PDB entries
 
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