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5V56

2.9A XFEL structure of the multi-domain human smoothened receptor (with E194M mutation) in complex with TC114

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B
(A, B)
Smoothened homolog,Flavodoxin,Smoothened homologpolymer65372576.62UniProt (Q99835)
UniProt (P00323)
Pfam (PF01392)
Pfam (PF01534)
Pfam (PF00258)
Homo sapiens (Human)SMO,Protein Gx
2C, F
(A, B)
N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamidenon-polymer539.52Chemie (836)
3D, G
(A, B)
FLAVIN MONONUCLEOTIDEnon-polymer456.32Chemie (FMN)
4E
(A)
2-acetamido-2-deoxy-beta-D-glucopyranosenon-polymer221.21Chemie (NAG)
Sequence modifications
A, B: 53 - 433 (UniProt: Q99835)
PDBExternal DatabaseDetails
Met 194Glu 194engineered mutation
A, B: 1002 - 1148 (UniProt: P00323)
PDBExternal DatabaseDetails
Ala 1002Pro 2engineered mutation
Trp 1098Tyr 98engineered mutation
A, B: 444 - 558 (UniProt: Q99835)
PDBExternal DatabaseDetails
His 559-expression tag
His 560-expression tag
His 561-expression tag
His 562-expression tag
His 563-expression tag
His 564-expression tag
His 565-expression tag
His 566-expression tag
His 567-expression tag
His 568-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight145153.2
Non-Polymers*Number of molecules5
Total formula weight2212.9
All*Total formula weight147366.1
*Water molecules are not included.

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PDB entries from 2025-07-09

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