Browse entries in the PDBbind-CN Database

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Related entries of code: 3bg8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1zomRCSB PDB    PDBbind238aa, >1ZOM_1|Chain... at 98%
1zpbRCSB PDB    PDBbind238aa, >1ZPB_1|Chain... at 98%
1zpcRCSB PDB    PDBbind238aa, >1ZPC_1|Chain... at 98%
2fdaRCSB PDB    PDBbind238aa, >2FDA_1|Chain... at 98%
4cr5RCSB PDB    PDBbind238aa, >4CR5_1|Chain... at 98%
4cr9RCSB PDB    PDBbind238aa, >4CR9_1|Chain... at 98%
4craRCSB PDB    PDBbind238aa, >4CRA_1|Chain... at 98%
4crbRCSB PDB    PDBbind238aa, >4CRB_1|Chain... at 98%
4crcRCSB PDB    PDBbind238aa, >4CRC_1|Chain... at 97%
4crdRCSB PDB    PDBbind238aa, >4CRD_1|Chain... at 98%
4crfRCSB PDB    PDBbind238aa, >4CRF_1|Chain... at 98%
4na7RCSB PDB    PDBbind244aa, >4NA7_1|Chain... at 97%
4na8RCSB PDB    PDBbind244aa, >4NA8_1|Chain... at 97%
4ty7RCSB PDB    PDBbind244aa, >4TY7_1|Chain... at 96%
4wxiRCSB PDB    PDBbind244aa, >4WXI_1|Chain... at 96%
4x6mRCSB PDB    PDBbind244aa, >4X6M_1|Chain... at 96%
4x6oRCSB PDB    PDBbind244aa, >4X6O_1|Chain... at 96%
4x6pRCSB PDB    PDBbind238aa, >4X6P_1|Chains... at 99%
4y8xRCSB PDB    PDBbind244aa, >4Y8X_1|Chain... at 96%
4y8yRCSB PDB    PDBbind244aa, >4Y8Y_1|Chain... at 96%
4y8zRCSB PDB    PDBbind244aa, >4Y8Z_1|Chain... at 96%
5e2oRCSB PDB    PDBbind244aa, >5E2O_1|Chain... at 96%
5e2pRCSB PDB    PDBbind244aa, >5E2P_1|Chain... at 96%
5eokRCSB PDB    PDBbind606aa, >5EOK_1|Chain... at 100%
5exlRCSB PDB    PDBbind244aa, >5EXL_1|Chain... at 96%
5exmRCSB PDB    PDBbind244aa, >5EXM_1|Chain... at 96%
5exnRCSB PDB    PDBbind238aa, >5EXN_1|Chain... at 99%
5i25RCSB PDB    PDBbind607aa, >5I25_1|Chain... *
5q0dRCSB PDB    PDBbind244aa, >5Q0D_1|Chain... at 96%
5q0eRCSB PDB    PDBbind244aa, >5Q0E_1|Chain... at 96%
5q0gRCSB PDB    PDBbind244aa, >5Q0G_1|Chain... at 96%
5q0hRCSB PDB    PDBbind244aa, >5Q0H_1|Chain... at 96%
5qckRCSB PDB    PDBbind244aa, >5QCK_1|Chain... at 96%
5qclRCSB PDB    PDBbind244aa, >5QCL_1|Chain... at 96%
5qcmRCSB PDB    PDBbind244aa, >5QCM_1|Chain... at 96%
5qcnRCSB PDB    PDBbind244aa, >5QCN_1|Chain... at 96%
5tksRCSB PDB    PDBbind244aa, >5TKS_1|Chain... at 96%
5tktRCSB PDB    PDBbind244aa, >5TKT_1|Chain... at 96%
5tkuRCSB PDB    PDBbind244aa, >5TKU_1|Chain... at 96%
5wb6RCSB PDB    PDBbind244aa, >5WB6_1|Chain... at 96%
6c0sRCSB PDB    PDBbind244aa, >6C0S_1|Chain... at 96%
5qttRCSB PDB    PDBbind244aa, >5QTT_1|Chain... at 96%
5qqpRCSB PDB    PDBbind244aa, >5QQP_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1slnRCSB PDB    PDBbindINH
2srtRCSB PDB    PDBbindINH
Entry Information
PDB ID3bg8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namefactor XIa
Ligand NameINH
EC.Number E.C.3.4.21.27
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=1.3uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Med.Chem. Vol. 51: pp. 3583-3587
Ligand Properties
Formula C6H15N4O
Molecular Weight 159.209
Exact Mass 159.125
No. of atoms 26
No. of bonds 25
Polar Surface Area 95.11
LOGP Value 0.83      (Computed with XLOGP3)
-0.71      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 0
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): P03951  
Entrez Gene IDNCBI Entrez Gene ID: 2160  
ASDInformation of known allosteric effects of PDB entries
 
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