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PDBsum entry 4d76

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protein ligands links
Hydrolase PDB id
4d76

 

 

 

 

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JSmol PyMol  
Contents
Protein chain
236 a.a.
Ligands
GOL ×3
J1J
SO4 ×3
Waters ×88
PDB id:
4d76
Name: Hydrolase
Title: Human fxia in complex with small molecule inhibitors.
Structure: Coagulation factor xi. Chain: a. Fragment: catalytic domain, residues 388-625. Synonym: fxi, plasma thromboplastin antecedent, pta, coagulation factor xia. Engineered: yes. Mutation: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: komagataella pastoris. Expression_system_taxid: 4922
Resolution:
1.77Å     R-factor:   0.184     R-free:   0.210
Authors: J.Sandmark,L.Oster,T.Jacso,V.Ullah,A.Redzick,U.Borjesson,T.Olsson, M.Norberg,T.Akerud
Key ref: T.Jacso et al. From mm fragments to nm compounds using iloe-Nmr to g linking of compounds in fragment based drug discovery (fbdd).. To be published, .
Date:
20-Nov-14     Release date:   20-Jan-16    
PROCHECK
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 Headers
 References

Protein chain
Pfam   ArchSchema ?
P03951  (FA11_HUMAN) -  Coagulation factor XI from Homo sapiens
Seq:
Struc:
 
Seq:
Struc:
625 a.a.
236 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 4 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: E.C.3.4.21.27  - coagulation factor XIa.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Selective cleavage of Arg-|-Ala and Arg-|-Val bonds in factor IX to form factor IXa.

 

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