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4CR5

Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1ACOAGULATION FACTOR XIApolymer23826752.41UniProt (P03951)
Pfam (PF00089)
In PDB
HOMO SAPIENS (HUMAN)FXI, PLASMA THROMBOPLASTIN ANTECEDENT, PTA, COAGULATION FACTOR XIA LIGHT CHAIN
2A6-chloroquinolin-2(1H)-onenon-polymer179.61Chemie (0TU)
3ASULFATE IONnon-polymer96.17Chemie (SO4)
4waterwater18.0197Chemie (HOH)
Sequence modifications
A: 16 - 245 (UniProt: P03951)
PDBExternal DatabaseDetails
Ala 75Ser 452engineered mutation
Ala 78Lys 455engineered mutation
Ala 115Thr 493engineered mutation
Ser 123Cys 500engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight26752.4
Non-Polymers*Number of molecules8
Total formula weight852.0
All*Total formula weight27604.4
*Water molecules are not included.

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PDB entries from 2024-03-27

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