3M82
Crystal structure of Acetyl xylan esterase (TM0077) from THERMOTOGA MARITIMA at 2.40 A resolution (PMSF inhibitor complex 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 | 9 |
Details | BINDING SITE FOR RESIDUE ACT A 410 |
Chain | Residue |
A | PRO142 |
A | GLY143 |
A | ARG147 |
C | GLN140 |
C | PRO142 |
C | GLY143 |
C | PHE144 |
C | ARG147 |
A | GLN140 |
site_id | AC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO A 412 |
Chain | Residue |
A | GLU34 |
A | TYR64 |
A | ARG65 |
A | GLU134 |
A | HOH722 |
site_id | AC5 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO A 413 |
Chain | Residue |
A | GLN88 |
A | TRP105 |
A | GLY186 |
A | GLY187 |
A | ASP210 |
A | GLN314 |
A | HOH726 |
site_id | AC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE CA B 408 |
Chain | Residue |
B | LYS22 |
B | GLU26 |
B | HOH586 |
site_id | AC7 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE ACT B 409 |
Chain | Residue |
B | GLN140 |
B | PRO142 |
B | GLY143 |
B | ARG147 |
B | HOH1243 |
D | GLN140 |
D | PRO142 |
D | GLY143 |
D | PHE144 |
D | ARG147 |
site_id | AC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO B 414 |
Chain | Residue |
B | GLN88 |
B | TRP105 |
B | GLY186 |
B | GLY187 |
B | ASP210 |
B | GLN314 |
site_id | AC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE CA C 403 |
Chain | Residue |
C | LYS22 |
C | GLU26 |
C | HOH499 |
C | HOH885 |
C | HOH1195 |
site_id | BC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO C 415 |
Chain | Residue |
C | GLN88 |
C | TRP105 |
C | GLY186 |
C | GLY187 |
C | ASP210 |
C | GLN314 |
site_id | BC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA D 402 |
Chain | Residue |
B | GLU45 |
D | GLU45 |
D | ASP58 |
D | HOH520 |
D | HOH673 |
D | HOH712 |
site_id | BC3 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE CA D 405 |
Chain | Residue |
D | LYS22 |
D | GLU26 |
D | HOH582 |
site_id | BC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE CA E 407 |
Chain | Residue |
E | LYS22 |
E | GLU26 |
E | HOH711 |
site_id | BC5 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE ACT E 411 |
Chain | Residue |
E | GLN140 |
E | PRO142 |
E | GLY143 |
E | PHE144 |
E | ARG147 |
E | HOH1544 |
F | GLN140 |
F | GLY143 |
F | ARG147 |
site_id | BC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO E 416 |
Chain | Residue |
E | GLN88 |
E | TRP105 |
E | GLY186 |
E | GLY187 |
E | ASP210 |
E | GLN314 |
site_id | BC7 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE CA F 406 |
Chain | Residue |
F | LYS22 |
F | GLU26 |
F | HOH741 |
site_id | BC8 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO F 417 |
Chain | Residue |
F | GLN88 |
F | TRP105 |
F | ALA185 |
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 | SEB188 | |
B | SEB188 | |
C | SEB188 | |
D | SEB188 | |
E | SEB188 | |
F | SEB188 |
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 | SEB188 | |
B | SEB188 | |
C | SEB188 | |
D | SEB188 | |
E | SEB188 | |
F | SEB188 |