Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 2anm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ad8RCSB PDB    PDBbind36aa, >1AD8:L|PDBID|CHAIN|... at 100%
1gj5RCSB PDB    PDBbind36aa, >1GJ5:L|PDBID|CHAIN|... at 100%
1awfRCSB PDB    PDBbind36aa, >1AWF:L|PDBID|CHAIN|... at 100%
1awhRCSB PDB    PDBbind36aa, >1AWH:A|PDBID|CHAIN|... at 100%
1bhxRCSB PDB    PDBbind30aa, >1BHX:A|PDBID|CHAIN|... at 100%
1c1uRCSB PDB    PDBbind36aa, >1C1U:L|PDBID|CHAIN|... at 100%
1c1vRCSB PDB    PDBbind36aa, >1C1V:L|PDBID|CHAIN|... at 100%
1c5nRCSB PDB    PDBbind36aa, >1C5N:L|PDBID|CHAIN|... at 100%
1c5oRCSB PDB    PDBbind36aa, >1C5O:L|PDBID|CHAIN|... at 100%
1d6wRCSB PDB    PDBbind287aa, >1D6W:A|PDBID|CHAIN|... at 100%
1d9iRCSB PDB    PDBbind288aa, >1D9I:A|PDBID|CHAIN|... at 100%
1dojRCSB PDB    PDBbind11aa, >1DOJ:B|PDBID|CHAIN|... at 90%
1dwcRCSB PDB    PDBbind36aa, >1DWC:L|PDBID|CHAIN|... at 100%
1dwdRCSB PDB    PDBbind36aa, >1DWD:L|PDBID|CHAIN|... at 100%
1eb1RCSB PDB    PDBbind257aa, >1EB1:H|PDBID|CHAIN|... at 100%
1g30RCSB PDB    PDBbind36aa, >1G30:A|PDBID|CHAIN|... at 100%
1g32RCSB PDB    PDBbind36aa, >1G32:A|PDBID|CHAIN|... at 100%
1g37RCSB PDB    PDBbind287aa, >1G37:A|PDBID|CHAIN|... at 100%
1ghvRCSB PDB    PDBbind36aa, >1GHV:L|PDBID|CHAIN|... at 100%
1ghwRCSB PDB    PDBbind36aa, >1GHW:L|PDBID|CHAIN|... at 100%
1ghyRCSB PDB    PDBbind36aa, >1GHY:L|PDBID|CHAIN|... at 100%
1gj4RCSB PDB    PDBbind36aa, >1GJ4:L|PDBID|CHAIN|... at 100%
1hgtRCSB PDB    PDBbind36aa, >1HGT:L|PDBID|CHAIN|... at 100%
1jwtRCSB PDB    PDBbind305aa, >1JWT:A|PDBID|CHAIN|... *
1kttRCSB PDB    PDBbind36aa, >1KTT:A|PDBID|CHAIN|... at 100%
1mu6RCSB PDB    PDBbind36aa, >1MU6:A|PDBID|CHAIN|... at 100%
1mu8RCSB PDB    PDBbind36aa, >1MU8:A|PDBID|CHAIN|... at 100%
1mueRCSB PDB    PDBbind36aa, >1MUE:A|PDBID|CHAIN|... at 100%
1nm6RCSB PDB    PDBbind11aa, >1NM6:B|PDBID|CHAIN|... at 90%
1no9RCSB PDB    PDBbind36aa, >1NO9:L|PDBID|CHAIN|... at 100%
1ny2RCSB PDB    PDBbind36aa, >1NY2:1|PDBID|CHAIN|... at 100%
1o2gRCSB PDB    PDBbind36aa, >1O2G:L|PDBID|CHAIN|... at 100%
1o5gRCSB PDB    PDBbind36aa, >1O5G:L|PDBID|CHAIN|... at 100%
1uvsRCSB PDB    PDBbind36aa, >1UVS:L|PDBID|CHAIN|... at 100%
1qbvRCSB PDB    PDBbind36aa, >1QBV:L|PDBID|CHAIN|... at 100%
1qhrRCSB PDB    PDBbind36aa, >1QHR:A|PDBID|CHAIN|... at 100%
1qj1RCSB PDB    PDBbind36aa, >1QJ1:A|PDBID|CHAIN|... at 100%
1qj6RCSB PDB    PDBbind36aa, >1QJ6:A|PDBID|CHAIN|... at 100%
1qj7RCSB PDB    PDBbind36aa, >1QJ7:A|PDBID|CHAIN|... at 100%
1riwRCSB PDB    PDBbind36aa, >1RIW:A|PDBID|CHAIN|... at 100%
1sb1RCSB PDB    PDBbind29aa, >1SB1:L|PDBID|CHAIN|... at 100%
1sl3RCSB PDB    PDBbind11aa, >1SL3:B|PDBID|CHAIN|... at 90%
1t4vRCSB PDB    PDBbind26aa, >1T4V:L|PDBID|CHAIN|... at 100%
1tomRCSB PDB    PDBbind36aa, >1TOM:L|PDBID|CHAIN|... at 100%
1vr1RCSB PDB    PDBbind27aa, >1VR1:L|PDBID|CHAIN|... at 100%
1vzqRCSB PDB    PDBbind250aa, >1VZQ:H|PDBID|CHAIN|... at 99%
1w7gRCSB PDB    PDBbind259aa, >1W7G:H|PDBID|CHAIN|... at 100%
1wayRCSB PDB    PDBbind36aa, >1WAY:A|PDBID|CHAIN|... at 100%
1wbgRCSB PDB    PDBbind36aa, >1WBG:A|PDBID|CHAIN|... at 100%
1ypeRCSB PDB    PDBbind27aa, >1YPE:L|PDBID|CHAIN|... at 100%
1ypgRCSB PDB    PDBbind27aa, >1YPG:L|PDBID|CHAIN|... at 100%
1ypjRCSB PDB    PDBbind27aa, >1YPJ:L|PDBID|CHAIN|... at 100%
1z71RCSB PDB    PDBbind11aa, >1Z71:B|PDBID|CHAIN|... at 90%
1zgiRCSB PDB    PDBbind287aa, >1ZGI:A|PDBID|CHAIN|... at 100%
1zgvRCSB PDB    PDBbind287aa, >1ZGV:A|PDBID|CHAIN|... at 100%
2bdyRCSB PDB    PDBbind289aa, >2BDY:A|PDBID|CHAIN|... at 100%
2cn0RCSB PDB    PDBbind257aa, >2CN0:H|PDBID|CHAIN|... at 100%
2bvsRCSB PDB    PDBbind259aa, >2BVS:H|PDBID|CHAIN|... at 100%
2bvxRCSB PDB    PDBbind259aa, >2BVX:H|PDBID|CHAIN|... at 100%
2bxtRCSB PDB    PDBbind259aa, >2BXT:H|PDBID|CHAIN|... at 100%
2bxuRCSB PDB    PDBbind259aa, >2BXU:H|PDBID|CHAIN|... at 100%
2cf8RCSB PDB    PDBbind257aa, >2CF8:H|PDBID|CHAIN|... at 100%
2cf9RCSB PDB    PDBbind257aa, >2CF9:H|PDBID|CHAIN|... at 100%
2gdeRCSB PDB    PDBbind36aa, >2GDE:L|PDBID|CHAIN|... at 100%
2h9tRCSB PDB    PDBbind36aa, >2H9T:L|PDBID|CHAIN|... at 100%
2jh0RCSB PDB    PDBbind36aa, >2JH0:C|PDBID|CHAIN|... at 100%
2jh5RCSB PDB    PDBbind36aa, >2JH5:C|PDBID|CHAIN|... at 100%
2jh6RCSB PDB    PDBbind36aa, >2JH6:C|PDBID|CHAIN|... at 100%
2pksRCSB PDB    PDBbind27aa, >2PKS:A|PDBID|CHAIN|... at 100%
2r2mRCSB PDB    PDBbind26aa, >2R2M:A|PDBID|CHAIN|... at 100%
2zc9RCSB PDB    PDBbind36aa, >2ZC9:L|PDBID|CHAIN|... at 100%
2zdaRCSB PDB    PDBbind36aa, >2ZDA:L|PDBID|CHAIN|... at 100%
2zfpRCSB PDB    PDBbind36aa, >2ZFP:L|PDBID|CHAIN|... at 100%
2zgxRCSB PDB    PDBbind36aa, >2ZGX:L|PDBID|CHAIN|... at 100%
2zo3RCSB PDB    PDBbind36aa, >2ZO3:L|PDBID|CHAIN|... at 100%
3c1kRCSB PDB    PDBbind11aa, >3C1K:B|PDBID|CHAIN|... at 90%
3f68RCSB PDB    PDBbind36aa, >3F68:L|PDBID|CHAIN|... at 100%
3bv9RCSB PDB    PDBbind31aa, >3BV9:A|PDBID|CHAIN|... at 100%
3da9RCSB PDB    PDBbind259aa, >3DA9:B|PDBID|CHAIN|... at 100%
3dhkRCSB PDB    PDBbind36aa, >3DHK:L|PDBID|CHAIN|... at 100%
3duxRCSB PDB    PDBbind36aa, >3DUX:L|PDBID|CHAIN|... at 100%
3egkRCSB PDB    PDBbind36aa, >3EGK:L|PDBID|CHAIN|... at 100%
3po1RCSB PDB    PDBbind102aa, >3PO1:C|PDBID|CHAIN|... at 100%
3utuRCSB PDB    PDBbind36aa, >3UTU:L|PDBID|CHAIN|... at 100%
4ax9RCSB PDB    PDBbind28aa, >4AX9:L|PDBID|CHAIN|... at 100%
4ayvRCSB PDB    PDBbind11aa, >4AYV:D|PDBID|CHAIN|... at 90%
4ayyRCSB PDB    PDBbind11aa, >4AYY:D|PDBID|CHAIN|... at 90%
4az2RCSB PDB    PDBbind11aa, >4AZ2:D|PDBID|CHAIN|... at 90%
4baoRCSB PDB    PDBbind259aa, >4BAO:B|PDBID|CHAIN|... at 100%
4e7rRCSB PDB    PDBbind36aa, >4E7R:M|PDBID|CHAIN|... at 100%
4hfpRCSB PDB    PDBbind259aa, >4HFP:D|PDBID|CHAIN|... at 99%
4loyRCSB PDB    PDBbind27aa, >4LOY:L|PDBID|CHAIN|... at 100%
4rn6RCSB PDB    PDBbind290aa, >4RN6:B|PDBID|CHAIN|... at 99%
7kmeRCSB PDB    PDBbind36aa, >7KME:L|PDBID|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 ID2anm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethrombin
Ligand NameCDO
EC.Number E.C.3.4.21.5
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=1.8nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary ReferenceBioorg.Med.Chem.Lett. v16 pp. 2648-53, 2006
Ligand Properties
Formula C23H36N6O4
Molecular Weight 460.570
Exact Mass 460.280
No. of atoms 69
No. of bonds 71
Polar Surface Area 167.82
LOGP Value 1.77      (Computed with XLOGP3)
-0.83      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
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): P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Address: LingLing Road 345, Shanghai, 200032, China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@mail.sioc.ac.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2019    Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences