4BWL
Structure of the Y137A mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate, N-acetyl-D-mannosamine and N- acetylneuraminic acid
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0005975 | biological_process | carbohydrate metabolic process |
| A | 0008747 | molecular_function | N-acetylneuraminate lyase activity |
| A | 0016829 | molecular_function | lyase activity |
| A | 0019262 | biological_process | N-acetylneuraminate catabolic process |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0044010 | biological_process | single-species biofilm formation |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0005975 | biological_process | carbohydrate metabolic process |
| B | 0008747 | molecular_function | N-acetylneuraminate lyase activity |
| B | 0016829 | molecular_function | lyase activity |
| B | 0019262 | biological_process | N-acetylneuraminate catabolic process |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0044010 | biological_process | single-species biofilm formation |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0005975 | biological_process | carbohydrate metabolic process |
| C | 0008747 | molecular_function | N-acetylneuraminate lyase activity |
| C | 0016829 | molecular_function | lyase activity |
| C | 0019262 | biological_process | N-acetylneuraminate catabolic process |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0044010 | biological_process | single-species biofilm formation |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0005975 | biological_process | carbohydrate metabolic process |
| D | 0008747 | molecular_function | N-acetylneuraminate lyase activity |
| D | 0016829 | molecular_function | lyase activity |
| D | 0019262 | biological_process | N-acetylneuraminate catabolic process |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0044010 | biological_process | single-species biofilm formation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE SI3 A 1165 |
| Chain | Residue |
| A | SER47 |
| A | GLY207 |
| A | SER208 |
| A | PHE252 |
| A | HOH2003 |
| A | THR48 |
| A | ILE139 |
| A | LYS165 |
| A | THR167 |
| A | GLY189 |
| A | TYR190 |
| A | ASP191 |
| A | GLU192 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE SI3 B 1165 |
| Chain | Residue |
| B | TYR43 |
| B | GLY46 |
| B | SER47 |
| B | THR48 |
| B | LYS165 |
| B | THR167 |
| B | GLY189 |
| B | ASP191 |
| B | GLU192 |
| B | GLY207 |
| B | SER208 |
| B | PHE252 |
| B | HOH2004 |
| B | HOH2021 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE SI3 D 1165 |
| Chain | Residue |
| D | TYR43 |
| D | SER47 |
| D | THR48 |
| D | LYS165 |
| D | THR167 |
| D | GLY189 |
| D | TYR190 |
| D | ASP191 |
| D | GLU192 |
| D | ILE206 |
| D | GLY207 |
| D | SER208 |
| D | PHE252 |
| D | HOH2009 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE MN9 C 1297 |
| Chain | Residue |
| C | ILE139 |
| C | LEU142 |
| C | KPI165 |
| C | THR167 |
| C | GLY189 |
| C | ASP191 |
| C | GLU192 |
| C | GLY207 |
| C | SER208 |
| C | PHE252 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE 1PE B 1297 |
| Chain | Residue |
| B | ASP170 |
| B | HOH2014 |
Functional Information from PROSITE/UniProt
| site_id | PS00665 |
| Number of Residues | 18 |
| Details | DHDPS_1 Dihydrodipicolinate synthase signature 1. GLYvgGSTGEAfvqslsE |
| Chain | Residue | Details |
| A | GLY41-GLU58 | |
| C | GLY41-GLU58 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton donor => ECO:0000305|PubMed:24521460 |
| Chain | Residue | Details |
| C | ALA137 | |
| B | ALA137 | |
| D | ALA137 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | ACT_SITE: Schiff-base intermediate with substrate => ECO:0000269|PubMed:12711733, ECO:0000269|PubMed:19923724, ECO:0000269|PubMed:24521460, ECO:0000269|PubMed:9047371, ECO:0000305|PubMed:8081752 |
| Chain | Residue | Details |
| C | KPI165 | |
| B | LYS165 | |
| D | LYS165 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:9047371, ECO:0000305|PubMed:12711733, ECO:0007744|PDB:1FDY, ECO:0007744|PDB:1FDZ, ECO:0007744|PDB:1HL2 |
| Chain | Residue | Details |
| B | THR48 | |
| D | SER47 | |
| D | THR48 | |
| C | SER47 | |
| C | THR48 | |
| B | SER47 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 5 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:24521460, ECO:0007744|PDB:4BWL |
| Chain | Residue | Details |
| C | THR167 | |
| C | GLY189 | |
| C | ASP191 | |
| C | GLU192 | |
| C | SER208 | |
| B | THR167 | |
| B | GLY189 | |
| B | ASP191 | |
| B | GLU192 | |
| B | SER208 | |
| D | THR167 | |
| D | GLY189 | |
| D | ASP191 | |
| D | GLU192 | |
| D | SER208 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | SITE: Required to correctly position the proton donor => ECO:0000305|PubMed:24521460 |
| Chain | Residue | Details |
| C | SER47 | |
| C | TYR110 | |
| B | SER47 | |
| B | TYR110 | |
| D | SER47 | |
| D | TYR110 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 2 |
| Details | M-CSA 553 |
| Chain | Residue | Details |
| C | ALA137 | proton acceptor, proton donor, proton relay |
| C | KPI165 | covalently attached, electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor |
| site_id | MCSA2 |
| Number of Residues | 2 |
| Details | M-CSA 553 |
| Chain | Residue | Details |
| B | ALA137 | proton acceptor, proton donor, proton relay |
| B | LYS165 | covalently attached, electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor |
| site_id | MCSA3 |
| Number of Residues | 2 |
| Details | M-CSA 553 |
| Chain | Residue | Details |
| D | ALA137 | proton acceptor, proton donor, proton relay |
| D | LYS165 | covalently attached, electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor |
