5O6Y
Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005975 | biological_process | carbohydrate metabolic process |
| A | 0016810 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds |
| B | 0005975 | biological_process | carbohydrate metabolic process |
| B | 0016810 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds |
| C | 0005975 | biological_process | carbohydrate metabolic process |
| C | 0016810 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds |
| D | 0005975 | biological_process | carbohydrate metabolic process |
| D | 0016810 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 301 |
| Chain | Residue |
| A | PRO69 |
| A | TYR70 |
| A | ASN71 |
| A | HOH416 |
| B | PRO69 |
| B | TYR70 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 302 |
| Chain | Residue |
| A | HOH444 |
| A | HIS231 |
| A | LEU232 |
| A | GLN233 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 303 |
| Chain | Residue |
| A | SER263 |
| A | LYS264 |
| A | HOH404 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | binding site for residue 5YA A 304 |
| Chain | Residue |
| A | ASP80 |
| A | ASP81 |
| A | HIS131 |
| A | HIS135 |
| A | TYR172 |
| A | TRP193 |
| A | ASP196 |
| A | TRP200 |
| A | LEU223 |
| A | HIS225 |
| A | PEG308 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue PE3 A 305 |
| Chain | Residue |
| A | PHE66 |
| A | TRP193 |
| A | PEG308 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue PEG A 306 |
| Chain | Residue |
| A | ASN71 |
| A | LYS72 |
| A | HOH440 |
| B | GLU60 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 307 |
| Chain | Residue |
| A | TRP53 |
| A | TRP58 |
| A | GLU174 |
| A | ILE175 |
| A | LEU176 |
| A | GLU177 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue PEG A 308 |
| Chain | Residue |
| A | TRP53 |
| A | TYR172 |
| A | GLY173 |
| A | 5YA304 |
| A | PE3305 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue PG0 A 309 |
| Chain | Residue |
| A | VAL141 |
| A | ASN142 |
| A | GLU143 |
| A | LEU176 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue NA A 310 |
| Chain | Residue |
| A | SER194 |
| A | SER220 |
| A | HOH464 |
| A | HOH486 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue NA A 311 |
| Chain | Residue |
| A | PHE66 |
| A | SER67 |
| A | HOH420 |
| B | PRO218 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue NA A 312 |
| Chain | Residue |
| A | SER67 |
| A | GLY68 |
| A | HOH464 |
| B | HOH403 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue NA A 313 |
| Chain | Residue |
| A | PHE217 |
| A | PRO218 |
| B | SER67 |
| B | HOH442 |
| site_id | AD5 |
| Number of Residues | 1 |
| Details | binding site for residue NA A 314 |
| Chain | Residue |
| B | GLU155 |
| site_id | AD6 |
| Number of Residues | 1 |
| Details | binding site for residue NA A 315 |
| Chain | Residue |
| A | TRP182 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue NA A 316 |
| Chain | Residue |
| A | TRP53 |
| A | PRO55 |
| A | TYR64 |
| site_id | AD8 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 317 |
| Chain | Residue |
| A | THR262 |
| A | SER263 |
| site_id | AD9 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 301 |
| Chain | Residue |
| B | HIS231 |
| B | LEU232 |
| B | GLN233 |
| site_id | AE1 |
| Number of Residues | 9 |
| Details | binding site for residue 5YA B 302 |
| Chain | Residue |
| B | ASP80 |
| B | ASP81 |
| B | HIS131 |
| B | HIS135 |
| B | TYR172 |
| B | TRP193 |
| B | ASP196 |
| B | HIS225 |
| B | ZN303 |
| site_id | AE2 |
| Number of Residues | 5 |
| Details | binding site for residue ZN B 303 |
| Chain | Residue |
| B | ASP81 |
| B | HIS131 |
| B | HIS135 |
| B | PXU171 |
| B | 5YA302 |
| site_id | AE3 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 304 |
| Chain | Residue |
| A | SER216 |
| B | TRP53 |
| B | PRO55 |
| B | PHE56 |
| B | PHE66 |
| B | HOH449 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 305 |
| Chain | Residue |
| A | PRO55 |
| A | PHE56 |
| A | PHE66 |
| B | LYS249 |
| B | HOH455 |
| site_id | AE5 |
| Number of Residues | 5 |
| Details | binding site for residue PEG B 306 |
| Chain | Residue |
| B | ASN178 |
| B | GLN179 |
| B | TRP182 |
| B | GLU143 |
| B | ARG147 |
| site_id | AE6 |
| Number of Residues | 2 |
| Details | binding site for residue PEG B 307 |
| Chain | Residue |
| B | SER263 |
| B | LYS264 |
| site_id | AE7 |
| Number of Residues | 2 |
| Details | binding site for residue PEG B 308 |
| Chain | Residue |
| B | ASN116 |
| B | HOH422 |
| site_id | AE8 |
| Number of Residues | 4 |
| Details | binding site for residue NA B 309 |
| Chain | Residue |
| B | SER194 |
| B | SER220 |
| B | HOH464 |
| B | HOH499 |
| site_id | AE9 |
| Number of Residues | 2 |
| Details | binding site for residue NA B 310 |
| Chain | Residue |
| B | ASN187 |
| B | ARG266 |
| site_id | AF1 |
| Number of Residues | 1 |
| Details | binding site for residue NA B 311 |
| Chain | Residue |
| B | SER134 |
| site_id | AF2 |
| Number of Residues | 1 |
| Details | binding site for residue NA B 312 |
| Chain | Residue |
| B | PRO89 |
| site_id | AF3 |
| Number of Residues | 1 |
| Details | binding site for residue NA B 313 |
| Chain | Residue |
| B | SER134 |
| site_id | AF4 |
| Number of Residues | 2 |
| Details | binding site for residue NA B 314 |
| Chain | Residue |
| B | ASN116 |
| C | ILE151 |
| site_id | AF5 |
| Number of Residues | 2 |
| Details | binding site for residue NA B 317 |
| Chain | Residue |
| B | THR255 |
| B | HOH540 |
| site_id | AF6 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 318 |
| Chain | Residue |
| B | HIS98 |
| B | LYS247 |
| D | HOH414 |
| site_id | AF7 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 C 301 |
| Chain | Residue |
| A | ASN99 |
| A | LYS247 |
| A | HOH433 |
| C | HIS98 |
| C | PRO244 |
| C | LYS247 |
| C | HOH466 |
| site_id | AF8 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 C 302 |
| Chain | Residue |
| C | HIS231 |
| C | LEU232 |
| C | GLN233 |
| C | HOH411 |
| site_id | AF9 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 303 |
| Chain | Residue |
| C | ASN99 |
| C | LYS247 |
| C | HOH404 |
| site_id | AG1 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 C 304 |
| Chain | Residue |
| C | PRO69 |
| C | TYR70 |
| C | HOH409 |
| C | HOH437 |
| C | HOH469 |
| D | PRO69 |
| D | TYR70 |
| D | ASN71 |
| site_id | AG2 |
| Number of Residues | 11 |
| Details | binding site for residue 5YA C 305 |
| Chain | Residue |
| C | ASP80 |
| C | ASP81 |
| C | HIS131 |
| C | HIS135 |
| C | PXU171 |
| C | TYR172 |
| C | TRP200 |
| C | HIS225 |
| C | ZN306 |
| C | HOH413 |
| C | HOH436 |
| site_id | AG3 |
| Number of Residues | 5 |
| Details | binding site for residue ZN C 306 |
| Chain | Residue |
| C | ASP81 |
| C | HIS131 |
| C | HIS135 |
| C | PXU171 |
| C | 5YA305 |
| site_id | AG4 |
| Number of Residues | 7 |
| Details | binding site for residue PE3 C 307 |
| Chain | Residue |
| C | SER194 |
| C | VAL195 |
| C | ASP196 |
| C | ASN211 |
| C | ASN215 |
| D | GLY214 |
| D | ASN215 |
| site_id | AG5 |
| Number of Residues | 4 |
| Details | binding site for residue PEG C 308 |
| Chain | Residue |
| C | PHE66 |
| C | GLY173 |
| C | GLN192 |
| C | TRP193 |
| site_id | AG6 |
| Number of Residues | 8 |
| Details | binding site for residue PEG C 309 |
| Chain | Residue |
| C | SER67 |
| C | SER194 |
| C | ASN215 |
| C | PRO218 |
| C | GLY219 |
| C | SER220 |
| C | NA313 |
| D | PEG306 |
| site_id | AG7 |
| Number of Residues | 1 |
| Details | binding site for residue NA C 310 |
| Chain | Residue |
| C | SER258 |
| site_id | AG8 |
| Number of Residues | 2 |
| Details | binding site for residue NA C 311 |
| Chain | Residue |
| C | SER204 |
| C | THR207 |
| site_id | AG9 |
| Number of Residues | 1 |
| Details | binding site for residue NA C 312 |
| Chain | Residue |
| C | SER263 |
| site_id | AH1 |
| Number of Residues | 6 |
| Details | binding site for residue NA C 313 |
| Chain | Residue |
| C | SER67 |
| C | GLY68 |
| C | PRO218 |
| C | GLY219 |
| C | PEG309 |
| D | NA307 |
| site_id | AH2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 D 301 |
| Chain | Residue |
| D | HIS231 |
| D | LEU232 |
| D | GLN233 |
| D | HOH432 |
| site_id | AH3 |
| Number of Residues | 12 |
| Details | binding site for residue 5YA D 302 |
| Chain | Residue |
| D | ASP80 |
| D | ASP81 |
| D | HIS131 |
| D | HIS135 |
| D | TYR172 |
| D | TRP193 |
| D | LEU223 |
| D | HIS225 |
| D | ZN303 |
| D | PEG305 |
| D | HOH433 |
| D | HOH550 |
| site_id | AH4 |
| Number of Residues | 5 |
| Details | binding site for residue ZN D 303 |
| Chain | Residue |
| D | ASP81 |
| D | HIS131 |
| D | HIS135 |
| D | PXU171 |
| D | 5YA302 |
| site_id | AH5 |
| Number of Residues | 4 |
| Details | binding site for residue PEG D 304 |
| Chain | Residue |
| D | HIS98 |
| D | ASN99 |
| D | LYS247 |
| D | HOH438 |
| site_id | AH6 |
| Number of Residues | 6 |
| Details | binding site for residue PEG D 305 |
| Chain | Residue |
| C | PHE217 |
| D | THR54 |
| D | PHE66 |
| D | GLY173 |
| D | TRP193 |
| D | 5YA302 |
| site_id | AH7 |
| Number of Residues | 7 |
| Details | binding site for residue PEG D 306 |
| Chain | Residue |
| C | PEG309 |
| D | SER67 |
| D | SER194 |
| D | ASN215 |
| D | PHE217 |
| D | SER220 |
| D | HOH448 |
| site_id | AH8 |
| Number of Residues | 6 |
| Details | binding site for residue NA D 307 |
| Chain | Residue |
| C | NA313 |
| D | SER67 |
| D | GLY68 |
| D | PRO218 |
| D | GLY219 |
| D | HOH448 |
| site_id | AH9 |
| Number of Residues | 2 |
| Details | binding site for residue ZN D 308 |
| Chain | Residue |
| D | HIS98 |
| D | LYS247 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU01014 |
| Chain | Residue | Details |
| B | ASP80 | |
| C | ASP80 | |
| D | ASP80 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | ACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU01014 |
| Chain | Residue | Details |
| B | HIS225 | |
| C | HIS225 | |
| D | HIS225 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 9 |
| Details | BINDING: BINDING => ECO:0000269|Ref.6 |
| Chain | Residue | Details |
| B | ASP81 | |
| B | HIS131 | |
| B | HIS135 | |
| C | ASP81 | |
| C | HIS131 | |
| C | HIS135 | |
| D | ASP81 | |
| D | HIS131 | |
| D | HIS135 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | MOD_RES: 2-hydroxyproline; partial => ECO:0000269|PubMed:28333455 |
| Chain | Residue | Details |
| B | PXU171 | |
| C | PXU171 | |
| D | PXU171 |
