4R88
Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-fluorocytosine
Replaces: 4JNRFunctional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004131 | molecular_function | cytosine deaminase activity |
| A | 0006209 | biological_process | cytosine catabolic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016810 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds |
| A | 0035888 | molecular_function | isoguanine deaminase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0004131 | molecular_function | cytosine deaminase activity |
| B | 0006209 | biological_process | cytosine catabolic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016810 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds |
| B | 0035888 | molecular_function | isoguanine deaminase activity |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0004131 | molecular_function | cytosine deaminase activity |
| C | 0006209 | biological_process | cytosine catabolic process |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0016810 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds |
| C | 0035888 | molecular_function | isoguanine deaminase activity |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0004131 | molecular_function | cytosine deaminase activity |
| D | 0006209 | biological_process | cytosine catabolic process |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0016810 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds |
| D | 0035888 | molecular_function | isoguanine deaminase activity |
| D | 0046872 | molecular_function | metal ion binding |
| E | 0004131 | molecular_function | cytosine deaminase activity |
| E | 0006209 | biological_process | cytosine catabolic process |
| E | 0016787 | molecular_function | hydrolase activity |
| E | 0016810 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds |
| E | 0035888 | molecular_function | isoguanine deaminase activity |
| E | 0046872 | molecular_function | metal ion binding |
| F | 0004131 | molecular_function | cytosine deaminase activity |
| F | 0006209 | biological_process | cytosine catabolic process |
| F | 0016787 | molecular_function | hydrolase activity |
| F | 0016810 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds |
| F | 0035888 | molecular_function | isoguanine deaminase activity |
| F | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 1LD A 501 |
| Chain | Residue |
| A | HIS58 |
| A | TRP314 |
| A | FE2502 |
| A | HOH606 |
| A | LEU76 |
| A | PHE149 |
| A | GLN151 |
| A | ILE178 |
| A | GLU212 |
| A | GLU273 |
| A | ASP308 |
| A | SER309 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 A 502 |
| Chain | Residue |
| A | HIS56 |
| A | HIS58 |
| A | HIS209 |
| A | HIS241 |
| A | ASP308 |
| A | 1LD501 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 503 |
| Chain | Residue |
| A | ARG185 |
| A | GLN217 |
| A | ARG219 |
| A | PHE220 |
| A | GLU222 |
| A | VAL223 |
| A | HOH613 |
| A | HOH714 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 504 |
| Chain | Residue |
| A | ASP327 |
| A | ALA328 |
| A | HOH699 |
| B | ASP327 |
| B | ALA328 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACY A 505 |
| Chain | Residue |
| A | ASP143 |
| A | ASN361 |
| A | PRO369 |
| A | ASN371 |
| A | HIS396 |
| site_id | AC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE ACY A 506 |
| Chain | Residue |
| A | ASP140 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 507 |
| Chain | Residue |
| A | ASP282 |
| A | PRO285 |
| A | ARG287 |
| B | ASP282 |
| B | PRO285 |
| B | ARG287 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 508 |
| Chain | Residue |
| A | SER254 |
| A | ARG292 |
| A | GLU295 |
| A | HOH617 |
| A | HOH747 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 509 |
| Chain | Residue |
| A | ARG161 |
| A | SER190 |
| A | ASP197 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 510 |
| Chain | Residue |
| A | SER156 |
| A | ASN183 |
| D | ARG229 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 511 |
| Chain | Residue |
| A | ARG46 |
| A | ASP376 |
| A | GLU378 |
| A | ARG386 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 512 |
| Chain | Residue |
| A | ASP42 |
| A | ARG46 |
| A | LEU391 |
| A | THR392 |
| site_id | BC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 1LD B 501 |
| Chain | Residue |
| B | HIS58 |
| B | LEU76 |
| B | PHE149 |
| B | GLN151 |
| B | ILE178 |
| B | GLU212 |
| B | GLU273 |
| B | ASP308 |
| B | SER309 |
| B | TRP314 |
| B | FE2502 |
| B | HOH613 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 B 502 |
| Chain | Residue |
| B | HIS56 |
| B | HIS58 |
| B | HIS209 |
| B | HIS241 |
| B | ASP308 |
| B | 1LD501 |
| site_id | BC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B 503 |
| Chain | Residue |
| B | ARG185 |
| B | GLN217 |
| B | ARG219 |
| B | PHE220 |
| B | GLU222 |
| B | VAL223 |
| B | PEG505 |
| B | HOH611 |
| B | HOH709 |
| F | ARG185 |
| site_id | BC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACY B 504 |
| Chain | Residue |
| B | ARG292 |
| B | GLU295 |
| B | HOH622 |
| site_id | BC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PEG B 505 |
| Chain | Residue |
| B | PHE220 |
| B | GOL503 |
| B | HOH626 |
| E | LYS255 |
| E | HOH630 |
| E | HOH792 |
| B | HIS180 |
| B | ARG185 |
| B | ILE213 |
| B | ASP215 |
| B | GLN217 |
| B | SER218 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 506 |
| Chain | Residue |
| A | TRP70 |
| B | TYR338 |
| B | LEU341 |
| B | GLN342 |
| B | TYR381 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 507 |
| Chain | Residue |
| B | ASP143 |
| B | PRO369 |
| B | ASN371 |
| B | ARG395 |
| B | HIS396 |
| site_id | CC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 508 |
| Chain | Residue |
| B | TYR181 |
| B | ASN183 |
| site_id | CC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO B 509 |
| Chain | Residue |
| B | ARG229 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 510 |
| Chain | Residue |
| B | GLY171 |
| B | ASP173 |
| B | ARG204 |
| D | ASN159 |
| site_id | CC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 511 |
| Chain | Residue |
| B | ARG201 |
| B | TYR202 |
| site_id | CC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 1LD C 501 |
| Chain | Residue |
| C | HIS58 |
| C | LEU76 |
| C | PHE149 |
| C | GLN151 |
| C | ILE178 |
| C | GLU212 |
| C | GLU273 |
| C | ASP308 |
| C | SER309 |
| C | TRP314 |
| C | FE2502 |
| C | HOH601 |
| site_id | CC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 C 502 |
| Chain | Residue |
| C | HIS56 |
| C | HIS58 |
| C | HIS209 |
| C | HIS241 |
| C | ASP308 |
| C | 1LD501 |
| site_id | CC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL C 503 |
| Chain | Residue |
| C | ARG185 |
| C | GLN217 |
| C | ARG219 |
| C | PHE220 |
| C | GLU222 |
| C | VAL223 |
| C | HOH618 |
| C | HOH752 |
| site_id | CC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL C 504 |
| Chain | Residue |
| C | ASP282 |
| C | PRO285 |
| C | ARG287 |
| E | ASP282 |
| E | PRO285 |
| E | ARG287 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL C 505 |
| Chain | Residue |
| C | ARG9 |
| C | ARG10 |
| C | GLN342 |
| C | ASN379 |
| C | ASP380 |
| site_id | DC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACY C 506 |
| Chain | Residue |
| C | PHE257 |
| C | ARG292 |
| C | GLU295 |
| C | HOH607 |
| C | HOH679 |
| site_id | DC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 507 |
| Chain | Residue |
| C | ASP42 |
| C | ARG46 |
| C | THR392 |
| C | GLN402 |
| site_id | DC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 508 |
| Chain | Residue |
| C | GLY337 |
| C | TYR338 |
| C | HOH780 |
| E | TRP70 |
| site_id | DC5 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 1LD D 501 |
| Chain | Residue |
| D | HIS58 |
| D | LEU76 |
| D | PHE149 |
| D | GLN151 |
| D | ILE178 |
| D | GLU212 |
| D | GLU273 |
| D | LEU277 |
| D | ASP308 |
| D | SER309 |
| D | TRP314 |
| D | FE2502 |
| D | HOH608 |
| site_id | DC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 D 502 |
| Chain | Residue |
| D | HIS56 |
| D | HIS58 |
| D | HIS209 |
| D | HIS241 |
| D | ASP308 |
| D | 1LD501 |
| site_id | DC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL D 503 |
| Chain | Residue |
| B | GLU162 |
| D | ARG201 |
| site_id | DC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL D 504 |
| Chain | Residue |
| D | ARG185 |
| D | GLN217 |
| D | ARG219 |
| D | PHE220 |
| D | GLU222 |
| D | VAL223 |
| D | HOH618 |
| D | HOH713 |
| site_id | DC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL D 505 |
| Chain | Residue |
| D | ARG161 |
| D | ASP197 |
| site_id | EC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE ACY D 506 |
| Chain | Residue |
| D | ARG292 |
| site_id | EC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO D 507 |
| Chain | Residue |
| F | ARG201 |
| site_id | EC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO D 508 |
| Chain | Residue |
| C | ALA262 |
| D | SER156 |
| D | ASN183 |
| site_id | EC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO D 509 |
| Chain | Residue |
| D | ILE168 |
| D | GLU169 |
| D | ARG204 |
| site_id | EC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 1LD E 501 |
| Chain | Residue |
| E | HIS58 |
| E | LEU76 |
| E | GLN151 |
| E | ILE178 |
| E | GLU212 |
| E | GLU273 |
| E | ASP308 |
| E | SER309 |
| E | TRP314 |
| E | FE2502 |
| E | HOH605 |
| site_id | EC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 E 502 |
| Chain | Residue |
| E | HIS56 |
| E | HIS58 |
| E | HIS209 |
| E | HIS241 |
| E | ASP308 |
| E | 1LD501 |
| site_id | EC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL E 503 |
| Chain | Residue |
| E | ARG185 |
| E | GLN217 |
| E | ARG219 |
| E | PHE220 |
| E | GLU222 |
| E | VAL223 |
| E | HOH614 |
| E | HOH713 |
| site_id | EC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL E 504 |
| Chain | Residue |
| C | ASP327 |
| C | ALA328 |
| C | ILE332 |
| E | ASP327 |
| E | ALA328 |
| E | HIS331 |
| E | HOH798 |
| site_id | EC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL E 505 |
| Chain | Residue |
| B | MET33 |
| E | ILE23 |
| E | ASP360 |
| E | ASN361 |
| E | GLY367 |
| E | ARG368 |
| E | PRO369 |
| site_id | FC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL E 506 |
| Chain | Residue |
| E | HIS113 |
| E | ASP143 |
| E | ASN361 |
| E | PRO369 |
| E | ASN371 |
| E | ARG395 |
| E | HIS396 |
| E | HOH771 |
| site_id | FC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACY E 507 |
| Chain | Residue |
| E | ARG292 |
| E | GLU295 |
| E | HOH708 |
| site_id | FC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACY E 508 |
| Chain | Residue |
| E | HIS180 |
| E | ILE213 |
| E | ASP215 |
| E | SER218 |
| E | HOH681 |
| F | TYR252 |
| F | LYS255 |
| site_id | FC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACY E 509 |
| Chain | Residue |
| A | GLU12 |
| E | GLN11 |
| site_id | FC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE FLC E 510 |
| Chain | Residue |
| E | LEU100 |
| E | ASP140 |
| site_id | FC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO E 511 |
| Chain | Residue |
| B | ASP282 |
| B | ARG287 |
| C | HOH633 |
| E | ASN250 |
| site_id | FC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL F 501 |
| Chain | Residue |
| D | ASP282 |
| D | PRO285 |
| D | ARG287 |
| F | PRO285 |
| F | ARG287 |
| site_id | FC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 1LD F 502 |
| Chain | Residue |
| F | HIS58 |
| F | LEU76 |
| F | PHE149 |
| F | GLN151 |
| F | GLU212 |
| F | GLU273 |
| F | ASP308 |
| F | SER309 |
| F | TRP314 |
| F | FE2503 |
| F | HOH631 |
| site_id | FC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 F 503 |
| Chain | Residue |
| F | HIS56 |
| F | HIS58 |
| F | HIS209 |
| F | HIS241 |
| F | ASP308 |
| F | 1LD502 |
| site_id | GC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL F 504 |
| Chain | Residue |
| F | ARG185 |
| F | GLN217 |
| F | ARG219 |
| F | PHE220 |
| F | GLU222 |
| F | VAL223 |
| F | HOH604 |
| F | HOH703 |
| site_id | GC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACY F 505 |
| Chain | Residue |
| F | ARG292 |
| F | GLU295 |
| F | HOH715 |
| site_id | GC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACY F 506 |
| Chain | Residue |
| F | ARG161 |
| F | SER190 |
| F | MET193 |
| F | PHE194 |
| F | ASP197 |
| F | HOH762 |
| site_id | GC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PEG F 507 |
| Chain | Residue |
| D | ASP327 |
| D | ALA328 |
| D | HIS331 |
| F | ASP327 |
| F | ALA328 |
| F | HIS331 |
| F | HOH754 |
