4K98
Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 601 |
| Chain | Residue |
| A | HIS378 |
| A | CYS384 |
| A | CYS385 |
| A | CYS392 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 602 |
| Chain | Residue |
| A | GLU211 |
| A | ASP213 |
| A | MG603 |
| A | GTP604 |
| A | HOH722 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 603 |
| Chain | Residue |
| A | GLU211 |
| A | ASP213 |
| A | ASP307 |
| A | MG602 |
| A | GTP604 |
| A | G605 |
| site_id | AC4 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE GTP A 604 |
| Chain | Residue |
| A | GLY198 |
| A | SER199 |
| A | GLU211 |
| A | ASP213 |
| A | ARG364 |
| A | LYS402 |
| A | CYS419 |
| A | SER420 |
| A | TYR421 |
| A | MG602 |
| A | MG603 |
| A | G605 |
| A | HOH746 |
| A | HOH756 |
| A | HOH763 |
| A | HOH764 |
| A | HOH836 |
| A | HOH1001 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE G A 605 |
| Chain | Residue |
| A | THR197 |
| A | ASP213 |
| A | MET215 |
| A | PRO292 |
| A | ASP307 |
| A | ARG364 |
| A | SER366 |
| A | SER368 |
| A | MG603 |
| A | GTP604 |
| A | HOH714 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:23647843 |
| Chain | Residue | Details |
| A | SER199 | |
| A | GLU211 | |
| A | ASP213 | |
| A | ASP307 | |
| A | GLU371 | |
| A | LYS402 | |
| A | SER420 | |
| A | THR197 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:24332030, ECO:0007744|PDB:4LEZ |
| Chain | Residue | Details |
| A | LYS350 | |
| A | ARG364 | |
| A | GLY290 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:23647843, ECO:0000269|PubMed:24332030, ECO:0000269|PubMed:24462292, ECO:0000269|PubMed:28902841, ECO:0000269|PubMed:28963528, ECO:0000269|PubMed:32814054, ECO:0000269|PubMed:32911481, ECO:0000269|PubMed:32913000, ECO:0007744|PDB:5N6I, ECO:0007744|PDB:5XZB, ECO:0007744|PDB:5XZE, ECO:0007744|PDB:5XZG, ECO:0007744|PDB:6X59, ECO:0007744|PDB:7BUJ, ECO:0007744|PDB:7BUM, ECO:0007744|PDB:7BUQ, ECO:0007744|PDB:7JO9, ECO:0007744|PDB:7JOA |
| Chain | Residue | Details |
| A | HIS378 | |
| A | CYS384 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:23647843, ECO:0000269|PubMed:24332030, ECO:0000269|PubMed:24462292, ECO:0000269|PubMed:28902841, ECO:0000269|PubMed:28963528, ECO:0000269|PubMed:32814054, ECO:0000269|PubMed:32911481, ECO:0000269|PubMed:32913000, ECO:0007744|PDB:5N6I, ECO:0007744|PDB:5XZB, ECO:0007744|PDB:5XZE, ECO:0007744|PDB:5XZG, ECO:0007744|PDB:6XJD, ECO:0007744|PDB:7BUJ, ECO:0007744|PDB:7BUM, ECO:0007744|PDB:7BUQ, ECO:0007744|PDB:7JO9, ECO:0007744|PDB:7JOA |
| Chain | Residue | Details |
| A | CYS385 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:23647843, ECO:0000269|PubMed:24332030, ECO:0000269|PubMed:24462292, ECO:0000269|PubMed:28902841, ECO:0000269|PubMed:28963528, ECO:0000269|PubMed:32814054, ECO:0000269|PubMed:32911480, ECO:0000269|PubMed:32911481, ECO:0000269|PubMed:32913000, ECO:0007744|PDB:5N6I, ECO:0007744|PDB:5XZB, ECO:0007744|PDB:5XZE, ECO:0007744|PDB:5XZG, ECO:0007744|PDB:6X5A, ECO:0007744|PDB:7BUJ, ECO:0007744|PDB:7BUM, ECO:0007744|PDB:7BUQ, ECO:0007744|PDB:7JO9, ECO:0007744|PDB:7JOA |
| Chain | Residue | Details |
| A | CYS392 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | SITE: Arginine-anchor => ECO:0000269|PubMed:31808743, ECO:0000269|PubMed:32911480, ECO:0000269|PubMed:32911481, ECO:0000269|PubMed:32913000 |
| Chain | Residue | Details |
| A | ARG241 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | SITE: Cleavage; by CASP3 => ECO:0000250|UniProtKB:Q8N884 |
| Chain | Residue | Details |
| A | ASP307 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | MOD_RES: PolyADP-ribosyl glutamic acid => ECO:0000269|PubMed:35460603 |
| Chain | Residue | Details |
| A | GLU176 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q8N884 |
| Chain | Residue | Details |
| A | SER199 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:Q8N884 |
| Chain | Residue | Details |
| A | TYR201 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 1 |
| Details | MOD_RES: 5-glutamyl polyglutamate => ECO:0000269|PubMed:26829768 |
| Chain | Residue | Details |
| A | GLU272 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine; by CDK1 and PKB => ECO:0000269|PubMed:26440888, ECO:0000269|PubMed:32351706 |
| Chain | Residue | Details |
| A | SER291 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 1 |
| Details | MOD_RES: 5-glutamyl glutamate => ECO:0000269|PubMed:26829768 |
| Chain | Residue | Details |
| A | GLU302 |
| site_id | SWS_FT_FI14 |
| Number of Residues | 3 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q8N884 |
| Chain | Residue | Details |
| A | LYS382 | |
| A | LYS402 | |
| A | LYS372 |
| site_id | SWS_FT_FI15 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:32474700 |
| Chain | Residue | Details |
| A | SER420 |
| site_id | SWS_FT_FI16 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-methyllysine => ECO:0000269|PubMed:35210392 |
| Chain | Residue | Details |
| A | LYS491 |
| site_id | SWS_FT_FI17 |
| Number of Residues | 3 |
| Details | LIPID: S-palmitoyl cysteine => ECO:0000250|UniProtKB:Q8N884 |
| Chain | Residue | Details |
| A | CYS393 | |
| A | CYS459 | |
| A | CYS392 |
| site_id | SWS_FT_FI18 |
| Number of Residues | 1 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO) => ECO:0000269|PubMed:27637147 |
| Chain | Residue | Details |
| A | LYS217 |
| site_id | SWS_FT_FI19 |
| Number of Residues | 2 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin); alternate => ECO:0000269|PubMed:27637147, ECO:0000269|PubMed:32457395 |
| Chain | Residue | Details |
| A | LYS464 |
| site_id | SWS_FT_FI20 |
| Number of Residues | 1 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:27637147, ECO:0000269|PubMed:32457395 |
| Chain | Residue | Details |
| A | LYS271 |
| site_id | SWS_FT_FI21 |
| Number of Residues | 1 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin); alternate => ECO:0000269|PubMed:29426904 |
| Chain | Residue | Details |
| A | LYS335 |
| site_id | SWS_FT_FI22 |
| Number of Residues | 1 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin); alternate => ECO:0000250|UniProtKB:Q8N884 |
| Chain | Residue | Details |
| A | LYS372 |
| site_id | SWS_FT_FI23 |
| Number of Residues | 1 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO) => ECO:0000269|PubMed:28095500 |
| Chain | Residue | Details |
| A | LYS382 |
| site_id | SWS_FT_FI24 |
| Number of Residues | 2 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000250|UniProtKB:Q8N884 |
| Chain | Residue | Details |
| A | LYS402 | |
| A | LYS399 |
