5WJ6
Crystal structure of glutaminase C in complex with inhibitor 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (UPGL-00004)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, C, D | Glutaminase kidney isoform, mitochondrial | polymer | 539 | 59429.5 | 3 | UniProt (O94925) Pfam (PF17959) Pfam (PF04960) In PDB | Homo sapiens (Human) | GLS,K-glutaminase, L-glutamine amidohydrolase |
2 | B | Glutaminase kidney isoform, mitochondrial | polymer | 539 | 59415.5 | 1 | UniProt (O94925) Pfam (PF17959) Pfam (PF04960) In PDB | Homo sapiens (Human) | GLS,K-glutaminase, L-glutamine amidohydrolase |
3 | A, C | 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | non-polymer | 534.7 | 2 | Chemie (B4A) | |||
4 | water | water | 18.0 | 650 | Chemie (HOH) |
Sequence modifications
A, C, D: 72 - 598 (UniProt: O94925)
B: 72 - 598 (UniProt: O94925)
PDB | External Database | Details |
---|---|---|
Met 60 | - | expression tag |
Arg 61 | - | expression tag |
Gly 62 | - | expression tag |
Ser 63 | - | expression tag |
His 64 | - | expression tag |
His 65 | - | expression tag |
His 66 | - | expression tag |
His 67 | - | expression tag |
His 68 | - | expression tag |
His 69 | - | expression tag |
Gly 70 | - | expression tag |
Ser 71 | - | expression tag |
Ala 268 | Val 268 | conflict |
PDB | External Database | Details |
---|---|---|
Met 60 | - | expression tag |
Arg 61 | - | expression tag |
Gly 62 | - | expression tag |
Ser 63 | - | expression tag |
His 64 | - | expression tag |
His 65 | - | expression tag |
His 66 | - | expression tag |
His 67 | - | expression tag |
His 68 | - | expression tag |
His 69 | - | expression tag |
Gly 70 | - | expression tag |
Ser 71 | - | expression tag |
Asn 205 | Gln 205 | conflict |
Ala 268 | Val 268 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 237704.1 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 1069.3 | |
All* | Total formula weight | 238773.4 |