6DZ3
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol
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 | S-methyl-5'-thioadenosine phosphorylase | polymer | 297 | 33119.1 | 3 | UniProt (Q13126) Pfam (PF01048) In PDB | Homo sapiens (Human) | 5'-methylthioadenosine phosphorylase, MTAPase |
2 | A, B, C | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
3 | A, C | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
4 | A, B, C | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol | non-polymer | 444.6 | 3 | Chemie (OS6) | |||
5 | B | ACETIC ACID | non-polymer | 60.1 | 1 | Chemie (ACY) | |||
6 | water | water | 18.0 | 338 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 283 (UniProt: Q13126)
PDB | External Database | Details |
---|---|---|
Met -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
His -9 | - | expression tag |
His -8 | - | expression tag |
His -7 | - | expression tag |
Glu -6 | - | expression tag |
Asn -5 | - | expression tag |
Leu -4 | - | expression tag |
Tyr -3 | - | expression tag |
Phe -2 | - | expression tag |
Gln -1 | - | expression tag |
Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 3 |
Total formula weight | 99357.2 | |
Non-Polymers* | Number of molecules | 16 |
Total formula weight | 2005.6 | |
All* | Total formula weight | 101362.7 |