Browse entries in the PDBbind-CN Database

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Related entries of code: 4a7b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1eubRCSB PDB    PDBbind171aa, >1EUB_1|Chain... at 100%
1flsRCSB PDB    PDBbind165aa, >1FLS_1|Chain... at 100%
1xucRCSB PDB    PDBbind171aa, >1XUC_1|Chains... at 100%
1xudRCSB PDB    PDBbind171aa, >1XUD_1|Chains... at 100%
1xurRCSB PDB    PDBbind171aa, >1XUR_1|Chains... at 100%
1youRCSB PDB    PDBbind168aa, >1YOU_1|Chains... at 100%
1ztqRCSB PDB    PDBbind165aa, >1ZTQ_1|Chains... at 100%
2d1nRCSB PDB    PDBbind166aa, >2D1N_1|Chains... at 100%
2ow9RCSB PDB    PDBbind170aa, >2OW9_1|Chains... at 98%
2ozrRCSB PDB    PDBbind170aa, >2OZR_1|Chains... at 98%
2pjtRCSB PDB    PDBbind165aa, >2PJT_1|Chains... at 100%
2yigRCSB PDB    PDBbind171aa, >2YIG_1|Chains... at 100%
3elmRCSB PDB    PDBbind171aa, >3ELM_1|Chains... at 100%
3i7gRCSB PDB    PDBbind171aa, >3I7G_1|Chains... at 100%
3i7iRCSB PDB    PDBbind171aa, >3I7I_1|Chains... at 100%
3kecRCSB PDB    PDBbind167aa, >3KEC_1|Chains... at 100%
3kejRCSB PDB    PDBbind167aa, >3KEJ_1|Chains... at 100%
3kekRCSB PDB    PDBbind167aa, >3KEK_1|Chains... at 100%
3kryRCSB PDB    PDBbind164aa, >3KRY_1|Chains... at 100%
3ljzRCSB PDB    PDBbind164aa, >3LJZ_1|Chains... at 99%
3tvcRCSB PDB    PDBbind169aa, >3TVC_1|Chain... at 100%
3wv1RCSB PDB    PDBbind171aa, >3WV1_1|Chains... at 100%
3wv2RCSB PDB    PDBbind171aa, >3WV2_1|Chains... at 100%
3wv3RCSB PDB    PDBbind171aa, >3WV3_1|Chains... at 100%
3zxhRCSB PDB    PDBbind171aa, >3ZXH_1|Chains... at 100%
456cRCSB PDB    PDBbind168aa, >456C_1|Chains... at 100%
4jpaRCSB PDB    PDBbind173aa, >4JPA_1|Chains... *
4l19RCSB PDB    PDBbind171aa, >4L19_1|Chains... at 100%
5b5oRCSB PDB    PDBbind172aa, >5B5O_1|Chains... at 100%
5b5pRCSB PDB    PDBbind172aa, >5B5P_1|Chains... at 100%
5botRCSB PDB    PDBbind171aa, >5BOT_1|Chains... at 100%
5boyRCSB PDB    PDBbind171aa, >5BOY_1|Chains... at 100%
5bpaRCSB PDB    PDBbind171aa, >5BPA_1|Chains... at 100%
5uwkRCSB PDB    PDBbind172aa, >5UWK_1|Chains... at 99%
5uwlRCSB PDB    PDBbind172aa, >5UWL_1|Chains... at 99%
5uwmRCSB PDB    PDBbind172aa, >5UWM_1|Chains... at 99%
5uwnRCSB PDB    PDBbind172aa, >5UWN_1|Chains... at 99%
830cRCSB PDB    PDBbind168aa, >830C_1|Chains... at 100%
6hv2RCSB PDB    PDBbind168aa, >6HV2_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4a7b
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCOLLAGENASE 3(MMP13)
Ligand Name3W5
EC.Number E.C.3.4.24.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=39.8nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 271
Ligand Properties
Formula C27H31N2O5S
Molecular Weight 495.610
Exact Mass 495.195
No. of atoms 66
No. of bonds 70
Polar Surface Area 105.52
LOGP Value 2.58      (Computed with XLOGP3)
4.22      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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): P45452  
Entrez Gene IDNCBI Entrez Gene ID: 4322  
ASDInformation of known allosteric effects of PDB entries
 
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