Browse entries in the PDBbind-CN Database

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Related entries of code: 5q0e
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%
3bg8RCSB PDB    PDBbind238aa, >3BG8_1|Chain... at 99%
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%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5q0e
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCoagulation factor XI
Ligand Name9FD
EC.Number E.C.3.4.21.27
Resolution 2.12(Å)
Affinity (Kd/Ki/IC50)Ki=0.69nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Bioorg. Med. Chem. Lett. Vol. 27: pp. 3833-3839
Ligand Properties
Formula C29H30ClN9O4
Molecular Weight 604.059
Exact Mass 603.211
No. of atoms 73
No. of bonds 77
Polar Surface Area 168.81
LOGP Value 3.44      (Computed with XLOGP3)
5.51      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 13
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): P03951  
Entrez Gene IDNCBI Entrez Gene ID: 2160  
ASDInformation of known allosteric effects of PDB entries
 
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