7O4D
QR2 inhibitor from a novel sulfanamide series to tackle age related oxidative stress and cognitive decline
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Ribosyldihydronicotinamide dehydrogenase [quinone] | polymer | 248 | 27995.8 | 2 | UniProt (P16083) Pfam (PF02525) In PDB | Homo sapiens (Human) | NRH dehydrogenase [quinone] 2,NRH:quinone oxidoreductase 2,Quinone reductase 2,QR2 |
2 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
3 | A, B | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
4 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
5 | B | 8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine | non-polymer | 370.5 | 2 | Chemie (V1Z) | |||
6 | water | water | 18.0 | 116 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 231 (UniProt: P16083)
PDB | External Database | Details |
---|---|---|
Met -16 | - | initiating methionine |
Ala -15 | - | expression tag |
Gly -14 | - | expression tag |
Leu -13 | - | expression tag |
Asn -12 | - | expression tag |
Asp -11 | - | expression tag |
Ile -10 | - | expression tag |
Phe -9 | - | expression tag |
Glu -8 | - | expression tag |
Ala -7 | - | expression tag |
Gln -6 | - | expression tag |
Lys -5 | - | expression tag |
Ile -4 | - | expression tag |
Glu -3 | - | expression tag |
Trp -2 | - | expression tag |
His -1 | - | expression tag |
Glu 0 | - | expression tag |
Phe 47 | Leu 47 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 55991.6 | |
Non-Polymers* | Number of molecules | 7 |
Total formula weight | 2538.9 | |
All* | Total formula weight | 58530.5 |