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8B6R

X-ray structure of the haloalkane dehalogenase HaloTag7 labeled with a chloroalkane Cyanine3 fluorophore substrate

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1AHaloalkane dehalogenasepolymer29333226.01UniProt (P0A3G3)
Pfam (PF00561)
In PDB
Rhodococcus sp.
2A~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamidenon-polymer663.41Chemie (PJI)
3ACHLORIDE IONnon-polymer35.51Chemie (CL)
4AGLYCEROLnon-polymer92.14Chemie (GOL)
5AMAGNESIUM IONnon-polymer24.31Chemie (MG)
6waterwater18.0297Chemie (HOH)
Sequence modifications
A: 4 - 293 (UniProt: P0A3G3)
PDBExternal DatabaseDetails
Gly 3-expression tag
Val 47Leu 47engineered mutation
Thr 58Ser 58engineered mutation
Gly 78Asp 78engineered mutation
Phe 87Tyr 87engineered mutation
Met 88Leu 88engineered mutation
Phe 128Cys 128engineered mutation
Thr 155Ala 155engineered mutation
Lys 160Glu 160engineered mutation
Val 167Ala 167engineered mutation
Thr 172Ala 172engineered mutation
Met 175Lys 175engineered mutation
Gly 176Cys 176engineered mutation
Asn 195Lys 195engineered mutation
Glu 224Ala 224engineered mutation
Asp 227Asn 227engineered mutation
Lys 257Glu 257engineered mutation
Ala 264Thr 264engineered mutation
Asn 272His 272engineered mutation
Leu 273Tyr 273engineered mutation
Ser 291Pro 291engineered mutation
Thr 292Ala 292engineered mutation
Glu 294-expression tag
Ile 295-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight33226.0
Non-Polymers*Number of molecules7
Total formula weight1091.5
All*Total formula weight34317.5
*Water molecules are not included.

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PDB entries from 2024-05-15

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