Browse entries in the PDBbind-CN Database

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Related entries of code: 1xws
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1yhsRCSB PDB    PDBbind273aa, >1YHS_1|Chain... at 100%
1yi3RCSB PDB    PDBbind273aa, >1YI3_1|Chain... at 100%
2c3iRCSB PDB    PDBbind313aa, >2C3I_2|Chain... at 99%
2j2iRCSB PDB    PDBbind312aa, >2J2I_1|Chain... at 99%
2o3pRCSB PDB    PDBbind293aa, >2O3P_1|Chain... at 97%
2o63RCSB PDB    PDBbind293aa, >2O63_1|Chain... at 97%
2o64RCSB PDB    PDBbind293aa, >2O64_1|Chain... at 97%
2o65RCSB PDB    PDBbind293aa, >2O65_1|Chain... at 97%
2objRCSB PDB    PDBbind333aa, >2OBJ_1|Chain... at 96%
2xixRCSB PDB    PDBbind301aa, >2XIX_1|Chain... at 99%
2xiyRCSB PDB    PDBbind301aa, >2XIY_1|Chain... at 99%
2xizRCSB PDB    PDBbind301aa, >2XIZ_1|Chain... at 99%
2xj0RCSB PDB    PDBbind301aa, >2XJ0_1|Chain... at 99%
2xj1RCSB PDB    PDBbind301aa, >2XJ1_1|Chain... at 99%
2xj2RCSB PDB    PDBbind301aa, >2XJ2_1|Chain... at 99%
3bgpRCSB PDB    PDBbind333aa, >3BGP_1|Chain... at 96%
3bgqRCSB PDB    PDBbind333aa, >3BGQ_1|Chain... at 96%
3bgzRCSB PDB    PDBbind333aa, >3BGZ_1|Chain... at 96%
3bwfRCSB PDB    PDBbind313aa, >3BWF_1|Chain... at 99%
3c4eRCSB PDB    PDBbind273aa, >3C4E_1|Chains... at 100%
3dcvRCSB PDB    PDBbind328aa, >3DCV_1|Chain... at 96%
3f2aRCSB PDB    PDBbind300aa, >3F2A_1|Chain... at 100%
3jxwRCSB PDB    PDBbind294aa, >3JXW_1|Chain... at 96%
3jy0RCSB PDB    PDBbind294aa, >3JY0_1|Chain... at 96%
3jyaRCSB PDB    PDBbind294aa, >3JYA_1|Chain... at 96%
3ma3RCSB PDB    PDBbind313aa, >3MA3_1|Chain... at 99%
3r00RCSB PDB    PDBbind299aa, >3R00_1|Chain... at 95%
3r01RCSB PDB    PDBbind299aa, >3R01_1|Chain... at 95%
3r02RCSB PDB    PDBbind299aa, >3R02_1|Chain... at 95%
3r04RCSB PDB    PDBbind299aa, >3R04_1|Chain... at 95%
3uixRCSB PDB    PDBbind298aa, >3UIX_1|Chain... at 95%
3umwRCSB PDB    PDBbind298aa, >3UMW_1|Chain... at 95%
3umxRCSB PDB    PDBbind298aa, >3UMX_1|Chain... at 95%
3vbqRCSB PDB    PDBbind299aa, >3VBQ_1|Chain... at 95%
3vbtRCSB PDB    PDBbind299aa, >3VBT_1|Chain... at 95%
3vbvRCSB PDB    PDBbind299aa, >3VBV_1|Chain... at 95%
3vbwRCSB PDB    PDBbind299aa, >3VBW_1|Chain... at 95%
3vbxRCSB PDB    PDBbind299aa, >3VBX_1|Chain... at 95%
3vbyRCSB PDB    PDBbind299aa, >3VBY_1|Chain... at 95%
3vc4RCSB PDB    PDBbind299aa, >3VC4_1|Chain... at 95%
4a7cRCSB PDB    PDBbind308aa, >4A7C_1|Chain... at 92%
4aluRCSB PDB    PDBbind328aa, >4ALU_1|Chain... at 95%
4alvRCSB PDB    PDBbind328aa, >4ALV_1|Chain... at 95%
4alwRCSB PDB    PDBbind328aa, >4ALW_1|Chain... at 95%
4bznRCSB PDB    PDBbind314aa, >4BZN_1|Chain... at 99%
4bzoRCSB PDB    PDBbind314aa, >4BZO_1|Chain... at 99%
4dtkRCSB PDB    PDBbind276aa, >4DTK_1|Chain... at 100%
4enxRCSB PDB    PDBbind298aa, >4ENX_1|Chain... at 95%
4enyRCSB PDB    PDBbind298aa, >4ENY_1|Chain... at 95%
4k0yRCSB PDB    PDBbind274aa, >4K0Y_1|Chain... at 100%
4k18RCSB PDB    PDBbind277aa, >4K18_1|Chain... at 100%
4k1bRCSB PDB    PDBbind273aa, >4K1B_1|Chain... at 100%
4lm5RCSB PDB    PDBbind298aa, >4LM5_1|Chain... at 95%
4lmuRCSB PDB    PDBbind298aa, >4LMU_1|Chain... at 95%
4mbiRCSB PDB    PDBbind293aa, >4MBI_1|Chain... at 97%
4mblRCSB PDB    PDBbind293aa, >4MBL_1|Chain... at 97%
4n6yRCSB PDB    PDBbind328aa, >4N6Y_1|Chain... at 96%
4n6zRCSB PDB    PDBbind328aa, >4N6Z_1|Chain... at 96%
4n70RCSB PDB    PDBbind328aa, >4N70_1|Chain... at 96%
4rpvRCSB PDB    PDBbind410aa, >4RPV_1|Chain... *
4ty1RCSB PDB    PDBbind286aa, >4TY1_1|Chain... at 95%
4wrsRCSB PDB    PDBbind286aa, >4WRS_1|Chain... at 95%
4wsyRCSB PDB    PDBbind286aa, >4WSY_1|Chain... at 95%
4wt6RCSB PDB    PDBbind286aa, >4WT6_1|Chain... at 95%
4xh6RCSB PDB    PDBbind294aa, >4XH6_1|Chain... at 96%
4xhkRCSB PDB    PDBbind315aa, >4XHK_1|Chain... at 99%
5dgzRCSB PDB    PDBbind299aa, >5DGZ_1|Chain... at 95%
5dhjRCSB PDB    PDBbind299aa, >5DHJ_1|Chain... at 95%
5diaRCSB PDB    PDBbind299aa, >5DIA_1|Chain... at 95%
5dwrRCSB PDB    PDBbind328aa, >5DWR_1|Chain... at 96%
5eolRCSB PDB    PDBbind286aa, >5EOL_1|Chain... at 95%
5iisRCSB PDB    PDBbind277aa, >5IIS_1|Chain... at 100%
5ipjRCSB PDB    PDBbind286aa, >5IPJ_1|Chain... at 95%
5kcxRCSB PDB    PDBbind291aa, >5KCX_1|Chain... at 97%
5kziRCSB PDB    PDBbind286aa, >5KZI_1|Chain... at 95%
5o11RCSB PDB    PDBbind298aa, >5O11_1|Chain... at 95%
5texRCSB PDB    PDBbind274aa, >5TEX_1|Chain... at 100%
5toeRCSB PDB    PDBbind273aa, >5TOE_1|Chain... at 100%
5turRCSB PDB    PDBbind404aa, >5TUR_1|Chain... at 100%
5v82RCSB PDB    PDBbind299aa, >5V82_1|Chain... at 95%
6aydRCSB PDB    PDBbind334aa, >6AYD_1|Chain... at 93%
6bskRCSB PDB    PDBbind276aa, >6BSK_1|Chain... at 100%
6mt0RCSB PDB    PDBbind286aa, >6MT0_1|Chain... at 95%
6no9RCSB PDB    PDBbind273aa, >6NO9_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1uu8RCSB PDB    PDBbindBI1
1zrzRCSB PDB    PDBbindBI1
Entry Information
PDB ID1xws
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman PIM1 kinase domain
Ligand NameBI1
EC.Number E.C.2.7.11.1
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Kd=10nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference (2005) J. Med. Chem., Vol.48, pp.7604-7614
Ligand Properties
Formula C25H27N4O2
Molecular Weight 415.507
Exact Mass 415.213
No. of atoms 58
No. of bonds 62
Polar Surface Area 71.33
LOGP Value 2.89      (Computed with XLOGP3)
2.51      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
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): P11309  
Entrez Gene IDNCBI Entrez Gene ID: 5292  
ASDInformation of known allosteric effects of PDB entries
 
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