Browse entries in the PDBbind-CN Database

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Related entries of code: 3f1a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jizRCSB PDB    PDBbind166aa, >1JIZ_1|Chains... *
1rmzRCSB PDB    PDBbind159aa, >1RMZ_1|Chain... at 98%
1rosRCSB PDB    PDBbind163aa, >1ROS_1|Chains... at 97%
1uttRCSB PDB    PDBbind159aa, >1UTT_1|Chain... at 100%
1utzRCSB PDB    PDBbind159aa, >1UTZ_1|Chains... at 100%
1ycmRCSB PDB    PDBbind159aa, >1YCM_1|Chain... at 98%
1z3jRCSB PDB    PDBbind159aa, >1Z3J_1|Chain... at 98%
2hu6RCSB PDB    PDBbind159aa, >2HU6_1|Chain... at 98%
2k2gRCSB PDB    PDBbind165aa, >2K2G_1|Chain... at 99%
2w0dRCSB PDB    PDBbind164aa, >2W0D_1|Chains... at 95%
2wo8RCSB PDB    PDBbind164aa, >2WO8_1|Chains... at 96%
2wo9RCSB PDB    PDBbind164aa, >2WO9_1|Chains... at 96%
2woaRCSB PDB    PDBbind164aa, >2WOA_1|Chains... at 96%
3ehxRCSB PDB    PDBbind158aa, >3EHX_1|Chain... at 99%
3ehyRCSB PDB    PDBbind158aa, >3EHY_1|Chain... at 99%
3f15RCSB PDB    PDBbind158aa, >3F15_1|Chain... at 99%
3f16RCSB PDB    PDBbind158aa, >3F16_1|Chain... at 99%
3f17RCSB PDB    PDBbind158aa, >3F17_1|Chain... at 99%
3f18RCSB PDB    PDBbind158aa, >3F18_1|Chain... at 99%
3f19RCSB PDB    PDBbind158aa, >3F19_1|Chain... at 99%
3likRCSB PDB    PDBbind159aa, >3LIK_1|Chain... at 98%
3lilRCSB PDB    PDBbind159aa, >3LIL_1|Chain... at 98%
3lirRCSB PDB    PDBbind159aa, >3LIR_1|Chain... at 98%
3ljgRCSB PDB    PDBbind159aa, >3LJG_1|Chain... at 98%
3lk8RCSB PDB    PDBbind158aa, >3LK8_1|Chain... at 99%
3lkaRCSB PDB    PDBbind158aa, >3LKA_1|Chain... at 99%
3n2uRCSB PDB    PDBbind158aa, >3N2U_1|Chain... at 99%
3n2vRCSB PDB    PDBbind158aa, >3N2V_1|Chain... at 99%
3nx7RCSB PDB    PDBbind158aa, >3NX7_1|Chain... at 99%
3ts4RCSB PDB    PDBbind159aa, >3TS4_1|Chain... at 98%
3tskRCSB PDB    PDBbind159aa, >3TSK_1|Chain... at 98%
4efsRCSB PDB    PDBbind159aa, >4EFS_1|Chain... at 98%
4gqlRCSB PDB    PDBbind159aa, >4GQL_1|Chain... at 98%
4gr0RCSB PDB    PDBbind159aa, >4GR0_1|Chain... at 98%
4gr3RCSB PDB    PDBbind159aa, >4GR3_1|Chain... at 98%
4gr8RCSB PDB    PDBbind152aa, >4GR8_1|Chain... at 99%
5cxaRCSB PDB    PDBbind159aa, >5CXA_1|Chain... at 98%
5czmRCSB PDB    PDBbind159aa, >5CZM_1|Chain... at 98%
5d3cRCSB PDB    PDBbind159aa, >5D3C_1|Chain... at 98%
5i0lRCSB PDB    PDBbind159aa, >5I0L_1|Chains... at 98%
5i2zRCSB PDB    PDBbind159aa, >5I2Z_1|Chains... at 98%
5i3mRCSB PDB    PDBbind159aa, >5I3M_1|Chains... at 98%
5i43RCSB PDB    PDBbind159aa, >5I43_1|Chains... at 98%
5i4oRCSB PDB    PDBbind159aa, >5I4O_1|Chains... at 98%
5l7fRCSB PDB    PDBbind159aa, >5L7F_1|Chains... at 98%
6eknRCSB PDB    PDBbind159aa, >6EKN_1|Chain... at 98%
6elaRCSB PDB    PDBbind159aa, >6ELA_1|Chains... at 98%
6enmRCSB PDB    PDBbind159aa, >6ENM_1|Chains... at 98%
6eoxRCSB PDB    PDBbind159aa, >6EOX_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3f1a
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namematrix metalloproteinase 12 (MMP12)
Ligand NameHS7
EC.Number E.C.-.-.-.-
Resolution 1.25(Å)
Affinity (Kd/Ki/IC50)Kd=61.1nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2007) J.Am.Chem.Soc. Vol. 129: pp. 2466-2475
Ligand Properties
Formula C8H10N2O4S
Molecular Weight 230.241
Exact Mass 230.036
No. of atoms 25
No. of bonds 25
Polar Surface Area 103.88
LOGP Value -0.26      (Computed with XLOGP3)
1.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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): P39900  
Entrez Gene IDNCBI Entrez Gene ID: 4321  
ASDInformation of known allosteric effects of PDB entries
 
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