9MDD
Crystal Structure of human cyclic GMP-AMP synthase (cGAS) in complex with compound 23; (S)-1-(6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-methoxyethan-1-one
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 | 42759.1 | 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) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C (A) | 3-{[(2S)-1-{[(5P)-3-chloro-5-(1H-imidazol-2-yl)phenyl]amino}-1-oxopropan-2-yl](methyl)carbamoyl}pyridine-2-carboxylic acid | non-polymer | 427.8 | 1 | Chemie (A1BJD) | |||
| 4 | D (A) | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 1 | Chemie (ANP) | |||
| 5 | E, F (A) | MANGANESE (II) ION | non-polymer | 54.9 | 2 | Chemie (MN) | |||
| 6 | G (A) | water | water | 18.0 | 160 | Chemie (HOH) |
Sequence modifications
A: 157 - 522 (UniProt: Q8N884)
| PDB | External Database | Details |
|---|---|---|
| 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 | 42759.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1109.3 | |
| All* | Total formula weight | 43868.5 |
