Browse entries in the PDBbind-CN Database

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Related entries of code: 4jjf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4jjgRCSB PDB    PDBbind344aa, >4JJG_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
11gsRCSB PDB    PDBbind2-mer
1b2mRCSB PDB    PDBbind2-mer
1e55RCSB PDB    PDBbind2-mer
1eefRCSB PDB    PDBbind2-mer
1fh7RCSB PDB    PDBbind2-mer
1fh8RCSB PDB    PDBbind2-mer
1fh9RCSB PDB    PDBbind2-mer
1fhdRCSB PDB    PDBbind2-mer
1ocnRCSB PDB    PDBbind2-mer
1orwRCSB PDB    PDBbind2-mer
1y3nRCSB PDB    PDBbind2-mer
2igvRCSB PDB    PDBbind2-mer
2igwRCSB PDB    PDBbind2-mer
2r1xRCSB PDB    PDBbind2-mer
2r1yRCSB PDB    PDBbind2-mer
2r23RCSB PDB    PDBbind2-mer
2rkmRCSB PDB    PDBbind2-mer
2rokRCSB PDB    PDBbind2-mer
2tpiRCSB PDB    PDBbind2-mer
2vl1RCSB PDB    PDBbind2-mer
2wlyRCSB PDB    PDBbind2-mer
2wlzRCSB PDB    PDBbind2-mer
2wynRCSB PDB    PDBbind2-mer
3bbbRCSB PDB    PDBbind2-mer
3bpcRCSB PDB    PDBbind2-mer
3gssRCSB PDB    PDBbind2-mer
3ijyRCSB PDB    PDBbind2-mer
3ikcRCSB PDB    PDBbind2-mer
3ng4RCSB PDB    PDBbind2-mer
3oy8RCSB PDB    PDBbind2-mer
3qlbRCSB PDB    PDBbind2-mer
3rg2RCSB PDB    PDBbind2-mer
3vzgRCSB PDB    PDBbind2-mer
4cd4RCSB PDB    PDBbind2-mer
4cd5RCSB PDB    PDBbind2-mer
4cd6RCSB PDB    PDBbind2-mer
4cd8RCSB PDB    PDBbind2-mer
4gzxRCSB PDB    PDBbind2-mer
4jjgRCSB PDB    PDBbind2-mer
4k3lRCSB PDB    PDBbind2-mer
4lk7RCSB PDB    PDBbind2-mer
4lkkRCSB PDB    PDBbind2-mer
4nkuRCSB PDB    PDBbind2-mer
4oakRCSB PDB    PDBbind2-mer
4oelRCSB PDB    PDBbind2-mer
4oemRCSB PDB    PDBbind2-mer
4qflRCSB PDB    PDBbind2-mer
4qfnRCSB PDB    PDBbind2-mer
4qfoRCSB PDB    PDBbind2-mer
4qfpRCSB PDB    PDBbind2-mer
4v27RCSB PDB    PDBbind2-mer
4x6hRCSB PDB    PDBbind2-mer
4yw2RCSB PDB    PDBbind2-mer
5ggoRCSB PDB    PDBbind2-mer
5gubRCSB PDB    PDBbind2-mer
5gx6RCSB PDB    PDBbind2-mer
5gx7RCSB PDB    PDBbind2-mer
5j41RCSB PDB    PDBbind2-mer
5l7fRCSB PDB    PDBbind2-mer
5lneRCSB PDB    PDBbind2-mer
5lyrRCSB PDB    PDBbind2-mer
5m17RCSB PDB    PDBbind2-mer
5m1zRCSB PDB    PDBbind2-mer
5m5dRCSB PDB    PDBbind2-mer
5m77RCSB PDB    PDBbind2-mer
5o58RCSB PDB    PDBbind2-mer
5oxkRCSB PDB    PDBbind2-mer
5oxlRCSB PDB    PDBbind2-mer
5oxmRCSB PDB    PDBbind2-mer
5oxnRCSB PDB    PDBbind2-mer
5vkmRCSB PDB    PDBbind2-mer
5xs8RCSB PDB    PDBbind2-mer
6famRCSB PDB    PDBbind2-mer
6hmgRCSB PDB    PDBbind2-mer
6p7qRCSB PDB    PDBbind2-mer
6kdiRCSB PDB    PDBbind2-mer
6idgRCSB PDB    PDBbind2-mer
6a87RCSB PDB    PDBbind2-mer
6inzRCSB PDB    PDBbind2-mer
Entry Information
PDB ID4jjf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name5,10-methenyltetrahydromethanopterin hydrogenase
Ligand Name2-mer
EC.Number E.C.1.12.98.2
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=10nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Angew.Chem.Int.Ed.Engl. Vol. 52: pp. 9656-9659
Ligand Properties
Formula C32H32FeN7O12P
Molecular Weight 793.455
Exact Mass 793.120
No. of atoms 85
No. of bonds 92
Polar Surface Area 288.73
LOGP Value 1.28      (Computed with XLOGP3)
2.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 8
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): P32440  
Entrez Gene IDNCBI Entrez Gene ID: 9705235  
ASDInformation of known allosteric effects of PDB entries
 
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