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3C6G

Crystal structure of CYP2R1 in complex with vitamin D3

Replaces:  2OJD
Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, BCytochrome P450 2R1polymer47955141.32UniProt (Q6VVX0)
Pfam (PF00067)
In PDB
Homo sapiens (human)Vitamin D 25-hydroxylase
2C, DCycloheptakis-(1-4)-(alpha-D-glucopyranose)branched1153.02In PDB
BIRD (PRD_900012)
GlyTouCan (G01435GL)
beta-cyclodextrin
3A, BUNKNOWN ATOM OR IONnon-polymer7Chemie (UNX)
4A, BPROTOPORPHYRIN IX CONTAINING FEnon-polymer616.52Chemie (HEM)
5A, B(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OLnon-polymer384.62Chemie (VD3)
6waterwater18.096Chemie (HOH)
Sequence modifications
A, B: 32 - 501 (UniProt: Q6VVX0)
PDBExternal DatabaseDetails
Met 27-expression tag
Ala 28-expression tag
Lys 29-expression tag
Lys 30-expression tag
Thr 31-expression tag
His 502-expression tag
His 503-expression tag
His 504-expression tag
His 505-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight110282.5
BranchedNumber of molecules2
Total formula weight2306.0
Non-Polymers*Number of molecules11
Total formula weight2002.3
All*Total formula weight114590.8
*Water molecules are not included.

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