3V0O
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with a novel UDP-GalNAc derived inhibitor (4GW) and H-antigen acceptor
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0005975 | biological_process | carbohydrate metabolic process |
A | 0016020 | cellular_component | membrane |
A | 0016758 | molecular_function | hexosyltransferase activity |
B | 0005975 | biological_process | carbohydrate metabolic process |
B | 0016020 | cellular_component | membrane |
B | 0016758 | molecular_function | hexosyltransferase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MN A 401 |
Chain | Residue |
A | ASP211 |
A | ASP213 |
A | 4GW402 |
A | HOH647 |
site_id | AC2 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE 4GW A 402 |
Chain | Residue |
A | ARG188 |
A | ASP211 |
A | VAL212 |
A | ASP213 |
A | LYS346 |
A | ALA350 |
A | VAL351 |
A | MN401 |
A | BHE403 |
A | HOH522 |
A | HOH554 |
A | HOH627 |
A | HOH629 |
A | HOH639 |
A | HOH647 |
A | HOH649 |
A | HOH718 |
A | PHE121 |
A | ILE123 |
A | TYR126 |
A | TRP181 |
A | VAL184 |
site_id | AC3 |
Number of Residues | 18 |
Details | BINDING SITE FOR RESIDUE BHE A 403 |
Chain | Residue |
A | HIS233 |
A | GLY235 |
A | PHE236 |
A | THR245 |
A | TYR264 |
A | TRP300 |
A | GLU303 |
A | ASP326 |
A | LYS346 |
A | 4GW402 |
A | HOH571 |
A | HOH603 |
A | HOH627 |
A | HOH648 |
A | HOH686 |
A | HOH704 |
A | HOH719 |
B | ARG146 |
site_id | AC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 A 404 |
Chain | Residue |
A | ARG110 |
A | ARG146 |
A | LEU329 |
A | HOH593 |
B | THR166 |
B | GLY167 |
site_id | AC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MN B 401 |
Chain | Residue |
B | ASP211 |
B | ASP213 |
B | 4GW402 |
B | HOH605 |
site_id | AC6 |
Number of Residues | 18 |
Details | BINDING SITE FOR RESIDUE 4GW B 402 |
Chain | Residue |
B | PHE121 |
B | ILE123 |
B | TYR126 |
B | TRP181 |
B | VAL184 |
B | ARG188 |
B | ASP211 |
B | VAL212 |
B | ASP213 |
B | LYS346 |
B | MN401 |
B | BHE403 |
B | HOH524 |
B | HOH534 |
B | HOH615 |
B | HOH620 |
B | HOH669 |
B | HOH684 |
site_id | AC7 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE BHE B 403 |
Chain | Residue |
B | HIS233 |
B | GLY235 |
B | PHE236 |
B | THR245 |
B | TRP300 |
B | GLU303 |
B | ASP326 |
B | LEU329 |
B | LYS346 |
B | 4GW402 |
B | HOH561 |
B | HOH615 |
B | HOH649 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 2 |
Details | ACT_SITE: Nucleophile => ECO:0000250|UniProtKB:P14769 |
Chain | Residue | Details |
A | GLU303 | |
B | GLU303 |
Chain | Residue | Details |
A | PHE121 | |
B | PHE121 |
Chain | Residue | Details |
A | TYR126 | |
B | TYR126 |
Chain | Residue | Details |
A | ASP211 | |
A | ASP213 | |
B | ASP211 | |
B | ASP213 |
Chain | Residue | Details |
A | HIS233 | |
B | HIS233 |
Chain | Residue | Details |
A | THR245 | |
B | THR245 |
Chain | Residue | Details |
A | GLU303 | |
B | GLU303 |
site_id | SWS_FT_FI8 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000269|PubMed:12972418, ECO:0000269|PubMed:16326711, ECO:0007744|PDB:1R7T, ECO:0007744|PDB:1ZI4, ECO:0007744|PDB:1ZI5, ECO:0007744|PDB:1ZJ2, ECO:0007744|PDB:1ZJ3, ECO:0007744|PDB:2RIY, ECO:0007744|PDB:2RJ1, ECO:0007744|PDB:2RJ4, ECO:0007744|PDB:2RJ6, ECO:0007744|PDB:2RJ7, ECO:0007744|PDB:2RJ8, ECO:0007744|PDB:2RJ9, ECO:0007744|PDB:3V0M, ECO:0007744|PDB:3V0O, ECO:0007744|PDB:3V0P, ECO:0007744|PDB:3V0Q, ECO:0007744|PDB:4C2S, ECO:0007744|PDB:4KC1, ECO:0007744|PDB:4KC2, ECO:0007744|PDB:4KC4 |
Chain | Residue | Details |
A | ASP326 | |
B | ASP326 |
site_id | SWS_FT_FI9 |
Number of Residues | 2 |
Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255 |
Chain | Residue | Details |
A | ASN113 | |
B | ASN113 |