6DW5
SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | polymer | 550 | 63426.4 | 4 | UniProt (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 |
2 | D, A, B, C | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) | non-polymer | 503.1 | 4 | Chemie (GTF) | |||
3 | D, A, B | GUANOSINE-5'-TRIPHOSPHATE | non-polymer | 523.2 | 4 | Chemie (GTP) | |||
4 | A, B, C, D | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE | non-polymer | 491.2 | 4 | Chemie (DTP) | |||
5 | D, A, B, C | MAGNESIUM ION | non-polymer | 24.3 | 10 | Chemie (MG) | |||
6 | A, B, C | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
7 | C | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) | |||
8 | water | water | 18.0 | 597 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 113 - 626 (UniProt: Q9Y3Z3)
PDB | External Database | Details |
---|---|---|
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 206 | His 206 | engineered mutation |
Asn 207 | Asp 207 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 253705.5 | |
Non-Polymers* | Number of molecules | 27 |
Total formula weight | 6463.7 | |
All* | Total formula weight | 260169.2 |