Browse entries in the PDBbind-CN Database

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Related entries of code: 3iob
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%
3iocRCSB PDB    PDBbind301aa, >3IOC_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 ID3iob
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMycobacterium Tuberculosis Pantothenate Synthetase
Ligand NameA4D
EC.Number E.C.6.3.2.1
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Kd=380uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Chembiochem Vol. 10: pp. 2772-2779
Ligand Properties
Formula C10H13N5O3S
Molecular Weight 283.307
Exact Mass 283.074
No. of atoms 32
No. of bonds 34
Polar Surface Area 158.11
LOGP Value -1.48      (Computed with XLOGP3)
-0.46      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): P9WIL5  
Entrez Gene IDNCBI Entrez Gene ID: 885459  
ASDInformation of known allosteric effects of PDB entries
 
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