5EFZ
Monoclinic structure of the acetyl esterase MekB
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0009058 | biological_process | biosynthetic process |
| A | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| A | 0016787 | molecular_function | hydrolase activity |
| B | 0009058 | biological_process | biosynthetic process |
| B | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| B | 0016787 | molecular_function | hydrolase activity |
| C | 0009058 | biological_process | biosynthetic process |
| C | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| C | 0016787 | molecular_function | hydrolase activity |
| D | 0009058 | biological_process | biosynthetic process |
| D | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| D | 0016787 | molecular_function | hydrolase activity |
| E | 0009058 | biological_process | biosynthetic process |
| E | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| E | 0016787 | molecular_function | hydrolase activity |
| F | 0009058 | biological_process | biosynthetic process |
| F | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| F | 0016787 | molecular_function | hydrolase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 401 |
| Chain | Residue |
| A | TYR5 |
| A | GLY90 |
| A | LEU91 |
| A | ASN97 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 402 |
| Chain | Residue |
| A | ASP299 |
| A | LYS306 |
| A | HOH563 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 403 |
| Chain | Residue |
| A | ALA348 |
| A | HOH532 |
| F | ASP45 |
| A | SER47 |
| A | ARG158 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 404 |
| Chain | Residue |
| A | THR184 |
| A | THR185 |
| A | ASP186 |
| A | PRO187 |
| A | GLN190 |
| A | ALA191 |
| A | HOH565 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 405 |
| Chain | Residue |
| A | ARG167 |
| A | ASN168 |
| A | GLN262 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 406 |
| Chain | Residue |
| A | GLY104 |
| A | PRO105 |
| A | PHE107 |
| A | ASN252 |
| A | THR256 |
| A | HOH528 |
| A | HOH549 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 407 |
| Chain | Residue |
| A | ARG167 |
| A | SER169 |
| A | LEU274 |
| A | GLU304 |
| A | HOH531 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 408 |
| Chain | Residue |
| A | ALA188 |
| A | ARG195 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue ACT A 409 |
| Chain | Residue |
| A | TRP55 |
| A | TYR56 |
| A | SER139 |
| A | MET140 |
| A | HIS322 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 401 |
| Chain | Residue |
| B | ARG72 |
| B | ASP334 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 402 |
| Chain | Residue |
| B | ARG27 |
| B | SER101 |
| E | SER101 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 403 |
| Chain | Residue |
| B | LYS46 |
| B | HOH505 |
| B | HOH596 |
| site_id | AD4 |
| Number of Residues | 1 |
| Details | binding site for residue EDO B 404 |
| Chain | Residue |
| B | SER291 |
| site_id | AD5 |
| Number of Residues | 1 |
| Details | binding site for residue EDO B 405 |
| Chain | Residue |
| B | ARG263 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue ACT B 406 |
| Chain | Residue |
| B | TRP55 |
| B | TYR56 |
| B | SER139 |
| B | MET140 |
| B | HIS322 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 401 |
| Chain | Residue |
| C | ARG195 |
| C | EDO406 |
| C | GOL407 |
| D | GLN294 |
| D | HOH561 |
| F | GLN294 |
| site_id | AD8 |
| Number of Residues | 7 |
| Details | binding site for residue EDO C 402 |
| Chain | Residue |
| C | ARG167 |
| C | SER169 |
| C | LEU274 |
| C | ASP300 |
| C | GLU304 |
| C | HOH510 |
| C | HOH547 |
| site_id | AD9 |
| Number of Residues | 8 |
| Details | binding site for residue EDO C 403 |
| Chain | Residue |
| C | GLY104 |
| C | PRO105 |
| C | PHE107 |
| C | ASN252 |
| C | LEU255 |
| C | THR256 |
| C | HOH537 |
| C | HOH546 |
| site_id | AE1 |
| Number of Residues | 8 |
| Details | binding site for residue EDO C 404 |
| Chain | Residue |
| C | GLU25 |
| C | ARG27 |
| C | PHE107 |
| C | ASN109 |
| C | HOH512 |
| C | HOH525 |
| C | HOH531 |
| F | GLU312 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 405 |
| Chain | Residue |
| C | ASP299 |
| C | LYS306 |
| C | HOH506 |
| E | ARG222 |
| site_id | AE3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 406 |
| Chain | Residue |
| C | GLN190 |
| C | EDO401 |
| F | SER291 |
| F | ASP293 |
| F | HOH510 |
| F | HOH572 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue GOL C 407 |
| Chain | Residue |
| D | SER291 |
| C | GLN190 |
| C | ARG195 |
| C | EDO401 |
| C | HOH515 |
| site_id | AE5 |
| Number of Residues | 5 |
| Details | binding site for residue GOL C 408 |
| Chain | Residue |
| C | ARG195 |
| C | SER196 |
| C | ALA199 |
| D | VAL298 |
| D | PRO315 |
| site_id | AE6 |
| Number of Residues | 5 |
| Details | binding site for residue ACT C 409 |
| Chain | Residue |
| C | TRP55 |
| C | TYR56 |
| C | SER139 |
| C | MET140 |
| C | HIS322 |
| site_id | AE7 |
| Number of Residues | 8 |
| Details | binding site for residue EDO D 401 |
| Chain | Residue |
| D | SER169 |
| D | HIS171 |
| D | PHE295 |
| D | ASP300 |
| D | HOH501 |
| D | HOH566 |
| F | PRO218 |
| F | ARG222 |
| site_id | AE8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 402 |
| Chain | Residue |
| D | SER303 |
| D | LYS306 |
| D | HOH519 |
| F | ARG222 |
| site_id | AE9 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 403 |
| Chain | Residue |
| D | ARG222 |
| D | HOH601 |
| F | ASP299 |
| site_id | AF1 |
| Number of Residues | 7 |
| Details | binding site for residue GOL D 404 |
| Chain | Residue |
| D | ARG27 |
| D | PRO105 |
| D | PHE107 |
| D | ALA108 |
| D | ASN109 |
| D | HOH518 |
| D | HOH555 |
| site_id | AF2 |
| Number of Residues | 7 |
| Details | binding site for residue GOL D 405 |
| Chain | Residue |
| D | ILE178 |
| D | ALA182 |
| D | LEU210 |
| D | HOH523 |
| D | HOH537 |
| F | ILE178 |
| F | ALA182 |
| site_id | AF3 |
| Number of Residues | 5 |
| Details | binding site for residue ACT D 406 |
| Chain | Residue |
| D | TRP55 |
| D | TYR56 |
| D | SER139 |
| D | MET140 |
| D | HIS322 |
| site_id | AF4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO E 401 |
| Chain | Residue |
| E | ARG167 |
| E | LEU274 |
| E | GLU304 |
| site_id | AF5 |
| Number of Residues | 3 |
| Details | binding site for residue EDO E 402 |
| Chain | Residue |
| E | GLU312 |
| E | HOH509 |
| E | HOH514 |
| site_id | AF6 |
| Number of Residues | 5 |
| Details | binding site for residue ACT E 403 |
| Chain | Residue |
| E | TRP55 |
| E | TYR56 |
| E | SER139 |
| E | MET140 |
| E | HIS322 |
| site_id | AF7 |
| Number of Residues | 3 |
| Details | binding site for residue ACT E 404 |
| Chain | Residue |
| C | ILE178 |
| C | ALA182 |
| E | LEU210 |
| site_id | AF8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO F 401 |
| Chain | Residue |
| F | ARG167 |
| F | GLY272 |
| F | ASP273 |
| F | LEU274 |
| F | ALA275 |
| site_id | AF9 |
| Number of Residues | 2 |
| Details | binding site for residue EDO F 402 |
| Chain | Residue |
| F | GLU177 |
| F | HOH525 |
| site_id | AG1 |
| Number of Residues | 8 |
| Details | binding site for residue GOL F 403 |
| Chain | Residue |
| F | ARG167 |
| F | SER169 |
| F | LEU274 |
| F | ASP300 |
| F | SER303 |
| F | GLU304 |
| F | HOH504 |
| F | HOH520 |
| site_id | AG2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL F 404 |
| Chain | Residue |
| A | SER47 |
| A | HOH522 |
| F | ASN43 |
| F | ASP45 |
| F | SER47 |
| F | HOH506 |
| site_id | AG3 |
| Number of Residues | 5 |
| Details | binding site for residue GOL F 405 |
| Chain | Residue |
| A | ASN43 |
| A | ALA44 |
| A | ASP45 |
| A | SER47 |
| F | HOH506 |
| site_id | AG4 |
| Number of Residues | 5 |
| Details | binding site for residue ACT F 406 |
| Chain | Residue |
| F | TRP55 |
| F | TYR56 |
| F | SER139 |
| F | MET140 |
| F | HIS322 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | ACT_SITE: Nucleophile => ECO:0000305|PubMed:26787467 |
| Chain | Residue | Details |
| A | SER139 | |
| B | SER139 | |
| C | SER139 | |
| D | SER139 | |
| E | SER139 | |
| F | SER139 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | ACT_SITE: ACT_SITE => ECO:0000305|PubMed:26787467 |
| Chain | Residue | Details |
| A | ASP293 | |
| E | HIS322 | |
| F | ASP293 | |
| F | HIS322 | |
| A | HIS322 | |
| B | ASP293 | |
| B | HIS322 | |
| C | ASP293 | |
| C | HIS322 | |
| D | ASP293 | |
| D | HIS322 | |
| E | ASP293 |
