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4CRF

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
1A
(A)
Coagulation factor XIa light chainpolymer23826752.41UniProt (P03951)
Pfam (PF00089)
Homo sapiens (human)
2B, C, D
(A)
GLYCEROLnon-polymer92.13Chemie (GOL)
3E
(A)
N-[(1S)-1-benzyl-2-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carbonon-polymer543.01Chemie (R9B)
4F, G, H, I
(A)
SULFATE IONnon-polymer96.14Chemie (SO4)
5J
(A)
CHLORIDE IONnon-polymer35.51Chemie (CL)
6K
(A)
waterwater18.095Chemie (HOH)
Sequence modifications
A: 16 - 245 (UniProt: P03951)
PDBExternal DatabaseDetails
Ala 75Ser 452conflict
Ala 78Lys 455conflict
Ala 115Thr 493conflict
Ser 123Cys 500conflict
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight26752.4
Non-Polymers*Number of molecules9
Total formula weight1239.0
All*Total formula weight27991.3
*Water molecules are not included.

239149

PDB entries from 2025-07-23

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