9ELX
Crystal Structure of human cyclic GMP-AMP synthase (cGAS) in complex with compound 5; 3-((2-((3-chloro-4-fluorophenyl)amino)-2-oxoethyl)carbamoyl)picolinic acid
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cyclic GMP-AMP synthase | polymer | 366 | 42800.2 | 1 | UniProt (Q8N884) Pfam (PF03281) Pfam (PF20266) | Homo sapiens (human) | cGAMP synthase,cGAS,h-cGAS,2'3'-cGAMP synthase,Mab-21 domain-containing protein 1 |
| 2 | B (A) | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 1 | Chemie (ANP) | |||
| 3 | C (A) | 3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]carbamoyl}pyridine-2-carboxylic acid | non-polymer | 351.7 | 1 | Chemie (A1BJH) | |||
| 4 | D (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 5 | E, F (A) | MANGANESE (II) ION | non-polymer | 54.9 | 2 | Chemie (MN) | |||
| 6 | G (A) | water | water | 18.0 | 197 | Chemie (HOH) |
Sequence modifications
A: 157 - 522 (UniProt: Q8N884)
| PDB | External Database | Details |
|---|---|---|
| His 261 | Pro 261 | variant |
| Glu 427 | Lys 427 | conflict |
| Glu 428 | Lys 428 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42800.2 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1033.2 | |
| All* | Total formula weight | 43833.4 |
