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6DWD

SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1D, C, B, ADeoxynucleoside triphosphate triphosphohydrolase SAMHD1polymer55063426.44UniProt (Q9Y3Z3)
Pfam (PF01966)
In PDB
Homo sapiens (Human)dNTPase,Dendritic cell-derived IFNG-induced protein,DCIP,Monocyte protein 5,MOP-5,SAM domain and HD domain-containing protein 1
2D, B, A, C9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-aminenon-polymer523.28Chemie (HDV)
3D, B, CGUANOSINE-5'-TRIPHOSPHATEnon-polymer523.24Chemie (GTP)
4D, B, A, CMAGNESIUM IONnon-polymer24.310Chemie (MG)
5C, A, D, BSODIUM IONnon-polymer23.023Chemie (NA)
6C, A, B, DGLYCINEnon-polymer75.17Chemie (GLY)
7B, DSUCCINIC ACIDnon-polymer118.12Chemie (SIN)
8CPHOSPHATE IONnon-polymer95.01Chemie (PO4)
9A3,3',3''-phosphanetriyltripropanoic acidnon-polymer250.21Chemie (TCE)
10waterwater18.01050Chemie (HOH)
Sequence modifications
D, C, B, A: 113 - 626 (UniProt: Q9Y3Z3)
PDBExternal DatabaseDetails
Met 77-initiating methionine
Gly 78-expression tag
Ser 79-expression tag
Ser 80-expression tag
His 81-expression tag
His 82-expression tag
His 83-expression tag
His 84-expression tag
His 85-expression tag
His 86-expression tag
Ser 87-expression tag
Ser 88-expression tag
Gly 89-expression tag
Leu 90-expression tag
Val 91-expression tag
Pro 92-expression tag
Arg 93-expression tag
Gly 94-expression tag
Ser 95-expression tag
His 96-expression tag
Met 97-expression tag
Ala 98-expression tag
Ser 99-expression tag
Met 100-expression tag
Thr 101-expression tag
Gly 102-expression tag
Gly 103-expression tag
Gln 104-expression tag
Gln 105-expression tag
Met 106-expression tag
Gly 107-expression tag
Arg 108-expression tag
Asp 109-expression tag
Pro 110-expression tag
Asn 111-expression tag
Ser 112-expression tag
Arg 206His 206engineered mutation
Asn 207Asp 207engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains4
Total formula weight253705.5
Non-Polymers*Number of molecules56
Total formula weight8156.9
All*Total formula weight261862.4
*Water molecules are not included.

217705

PDB entries from 2024-03-27

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