3M81
Crystal structure of Acetyl xylan esterase (TM0077) from THERMOTOGA MARITIMA at 2.50 A resolution (native apo structure)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005509 | molecular_function | calcium ion binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005976 | biological_process | polysaccharide metabolic process |
| A | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| A | 0030245 | biological_process | cellulose catabolic process |
| A | 0045491 | biological_process | xylan metabolic process |
| A | 0046555 | molecular_function | acetylxylan esterase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0047739 | molecular_function | cephalosporin-C deacetylase activity |
| A | 0052689 | molecular_function | carboxylic ester hydrolase activity |
| A | 1901266 | biological_process | cephalosporin C metabolic process |
| B | 0005509 | molecular_function | calcium ion binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005976 | biological_process | polysaccharide metabolic process |
| B | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| B | 0030245 | biological_process | cellulose catabolic process |
| B | 0045491 | biological_process | xylan metabolic process |
| B | 0046555 | molecular_function | acetylxylan esterase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0047739 | molecular_function | cephalosporin-C deacetylase activity |
| B | 0052689 | molecular_function | carboxylic ester hydrolase activity |
| B | 1901266 | biological_process | cephalosporin C metabolic process |
| C | 0005509 | molecular_function | calcium ion binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005976 | biological_process | polysaccharide metabolic process |
| C | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| C | 0030245 | biological_process | cellulose catabolic process |
| C | 0045491 | biological_process | xylan metabolic process |
| C | 0046555 | molecular_function | acetylxylan esterase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0047739 | molecular_function | cephalosporin-C deacetylase activity |
| C | 0052689 | molecular_function | carboxylic ester hydrolase activity |
| C | 1901266 | biological_process | cephalosporin C metabolic process |
| D | 0005509 | molecular_function | calcium ion binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005976 | biological_process | polysaccharide metabolic process |
| D | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| D | 0030245 | biological_process | cellulose catabolic process |
| D | 0045491 | biological_process | xylan metabolic process |
| D | 0046555 | molecular_function | acetylxylan esterase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0047739 | molecular_function | cephalosporin-C deacetylase activity |
| D | 0052689 | molecular_function | carboxylic ester hydrolase activity |
| D | 1901266 | biological_process | cephalosporin C metabolic process |
| E | 0005509 | molecular_function | calcium ion binding |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005976 | biological_process | polysaccharide metabolic process |
| E | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| E | 0030245 | biological_process | cellulose catabolic process |
| E | 0045491 | biological_process | xylan metabolic process |
| E | 0046555 | molecular_function | acetylxylan esterase activity |
| E | 0046872 | molecular_function | metal ion binding |
| E | 0047739 | molecular_function | cephalosporin-C deacetylase activity |
| E | 0052689 | molecular_function | carboxylic ester hydrolase activity |
| E | 1901266 | biological_process | cephalosporin C metabolic process |
| F | 0005509 | molecular_function | calcium ion binding |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0005976 | biological_process | polysaccharide metabolic process |
| F | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| F | 0030245 | biological_process | cellulose catabolic process |
| F | 0045491 | biological_process | xylan metabolic process |
| F | 0046555 | molecular_function | acetylxylan esterase activity |
| F | 0046872 | molecular_function | metal ion binding |
| F | 0047739 | molecular_function | cephalosporin-C deacetylase activity |
| F | 0052689 | molecular_function | carboxylic ester hydrolase activity |
| F | 1901266 | biological_process | cephalosporin C metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA A 401 |
| Chain | Residue |
| A | GLU45 |
| A | ASP58 |
| A | HOH448 |
| A | HOH477 |
| C | GLU45 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CA A 404 |
| Chain | Residue |
| A | LYS22 |
| A | GLU26 |
| A | HOH576 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 409 |
| Chain | Residue |
| A | SER188 |
| A | GLN189 |
| A | TYR92 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT A 415 |
| Chain | Residue |
| A | GLN140 |
| A | GLY143 |
| A | ARG147 |
| C | GLN140 |
| C | PRO142 |
| C | GLY143 |
| C | ARG147 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 423 |
| Chain | Residue |
| A | GLN88 |
| A | TRP105 |
| A | GLY186 |
| A | GLY187 |
| A | ASP210 |
| A | GLN314 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 424 |
| Chain | Residue |
| A | TYR110 |
| A | ARG181 |
| A | HOH633 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CA B 408 |
| Chain | Residue |
| B | LYS22 |
| B | GLU26 |
| B | HOH586 |
| B | HOH1785 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL B 410 |
| Chain | Residue |
| B | TYR92 |
| B | SER188 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 418 |
| Chain | Residue |
| B | GLN88 |
| B | TRP105 |
| B | ALA185 |
| B | GLY186 |
| B | GLY187 |
| B | ASP210 |
| B | GLN314 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CA C 403 |
| Chain | Residue |
| C | LYS22 |
| C | GLU26 |
| C | HOH499 |
| C | HOH1195 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL C 411 |
| Chain | Residue |
| C | TYR92 |
| C | SER188 |
| C | GLN189 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO C 419 |
| Chain | Residue |
| C | GLN88 |
| C | TRP105 |
| C | GLY186 |
| C | GLY187 |
| C | ASP210 |
| C | GLN314 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CA D 402 |
| Chain | Residue |
| B | GLU45 |
| D | GLU45 |
| D | ASP58 |
| D | HOH520 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CA D 405 |
| Chain | Residue |
| D | LYS22 |
| D | GLU26 |
| D | HOH582 |
| D | HOH1780 |
| site_id | BC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL D 412 |
| Chain | Residue |
| D | TYR92 |
| D | SER188 |
| D | GLN189 |
| site_id | BC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ACT D 416 |
| Chain | Residue |
| B | GLN140 |
| B | PRO142 |
| B | GLY143 |
| B | ARG147 |
| D | GLN140 |
| D | PRO142 |
| D | GLY143 |
| D | ARG147 |
| site_id | BC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO D 420 |
| Chain | Residue |
| D | GLN88 |
| D | TRP105 |
| D | ALA185 |
| D | GLY186 |
| D | GLY187 |
| D | ASP210 |
| D | GLN314 |
| site_id | BC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CA E 407 |
| Chain | Residue |
| E | LYS22 |
| E | GLU26 |
| site_id | CC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL E 414 |
| Chain | Residue |
| E | TYR92 |
| E | SER188 |
| site_id | CC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE ACT E 417 |
| Chain | Residue |
| E | GLN140 |
| E | PRO142 |
| E | GLY143 |
| E | ARG147 |
| F | GLN140 |
| F | PRO142 |
| F | GLY143 |
| F | PHE144 |
| F | ARG147 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO E 421 |
| Chain | Residue |
| E | GLN88 |
| E | TRP105 |
| E | GLY186 |
| E | GLY187 |
| E | ASP210 |
| E | GLN314 |
| site_id | CC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CA F 406 |
| Chain | Residue |
| F | GLU26 |
| F | LYS22 |
| site_id | CC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL F 413 |
| Chain | Residue |
| F | TYR92 |
| F | SER188 |
| F | GLN189 |
| site_id | CC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO F 422 |
| Chain | Residue |
| F | GLN88 |
| F | TRP105 |
| F | GLY186 |
| F | GLY187 |
| F | ASP210 |
| F | GLN314 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | ACT_SITE: Nucleophile => ECO:0000269|PubMed:22411095 |
| Chain | Residue | Details |
| A | SER188 | |
| B | SER188 | |
| C | SER188 | |
| D | SER188 | |
| E | SER188 | |
| F | SER188 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | ACT_SITE: Charge relay system => ECO:0000250|UniProtKB:P94388 |
| Chain | Residue | Details |
| A | ASP274 | |
| E | HIS303 | |
| F | ASP274 | |
| F | HIS303 | |
| A | HIS303 | |
| B | ASP274 | |
| B | HIS303 | |
| C | ASP274 | |
| C | HIS303 | |
| D | ASP274 | |
| D | HIS303 | |
| E | ASP274 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P94388 |
| Chain | Residue | Details |
| A | TYR92 | |
| B | TYR92 | |
| C | TYR92 | |
| D | TYR92 | |
| E | TYR92 | |
| F | TYR92 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | BINDING: covalent => ECO:0000269|PubMed:22411095 |
| Chain | Residue | Details |
| A | SER188 | |
| B | SER188 | |
| C | SER188 | |
| D | SER188 | |
| E | SER188 | |
| F | SER188 |
