2FZW
Structure of the binary complex of the E67L mutant of human glutathione-dependent formaldehyde dehydrogenase with NAD(H)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| A | 0005504 | molecular_function | fatty acid binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0008270 | molecular_function | zinc ion binding |
| A | 0009055 | molecular_function | electron transfer activity |
| A | 0010430 | biological_process | fatty acid omega-oxidation |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0018467 | molecular_function | formaldehyde dehydrogenase (NAD+) activity |
| A | 0044281 | biological_process | small molecule metabolic process |
| A | 0046294 | biological_process | formaldehyde catabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051775 | biological_process | response to redox state |
| A | 0051903 | molecular_function | S-(hydroxymethyl)glutathione dehydrogenase [NAD(P)+] activity |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0080007 | molecular_function | S-nitrosoglutathione reductase (NADH) activity |
| A | 0106321 | molecular_function | S-(hydroxymethyl)glutathione dehydrogenase (NADP+) activity |
| A | 0106322 | molecular_function | S-(hydroxymethyl)glutathione dehydrogenase (NAD+) activity |
| B | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| B | 0005504 | molecular_function | fatty acid binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0008270 | molecular_function | zinc ion binding |
| B | 0009055 | molecular_function | electron transfer activity |
| B | 0010430 | biological_process | fatty acid omega-oxidation |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0018467 | molecular_function | formaldehyde dehydrogenase (NAD+) activity |
| B | 0044281 | biological_process | small molecule metabolic process |
| B | 0046294 | biological_process | formaldehyde catabolic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0051775 | biological_process | response to redox state |
| B | 0051903 | molecular_function | S-(hydroxymethyl)glutathione dehydrogenase [NAD(P)+] activity |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 0080007 | molecular_function | S-nitrosoglutathione reductase (NADH) activity |
| B | 0106321 | molecular_function | S-(hydroxymethyl)glutathione dehydrogenase (NADP+) activity |
| B | 0106322 | molecular_function | S-(hydroxymethyl)glutathione dehydrogenase (NAD+) activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 375 |
| Chain | Residue |
| A | CYS96 |
| A | CYS99 |
| A | CYS102 |
| A | CYS110 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 376 |
| Chain | Residue |
| A | CYS44 |
| A | HIS66 |
| A | CYS173 |
| A | HOH1805 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 375 |
| Chain | Residue |
| B | CYS99 |
| B | CYS102 |
| B | CYS110 |
| B | CYS96 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 376 |
| Chain | Residue |
| B | CYS44 |
| B | HIS66 |
| B | CYS173 |
| B | HOH2463 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 B 1801 |
| Chain | Residue |
| A | LYS314 |
| B | LYS314 |
| B | HOH2719 |
| B | HOH2861 |
| B | HOH2892 |
| B | HOH2898 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 B 1802 |
| Chain | Residue |
| A | PO41803 |
| A | HOH2021 |
| B | LYS83 |
| B | ASP86 |
| B | LYS158 |
| B | HOH2696 |
| B | HOH2855 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 A 1803 |
| Chain | Residue |
| A | LYS83 |
| A | LYS158 |
| A | HOH2068 |
| A | HOH2139 |
| B | LYS83 |
| B | PO41802 |
| B | HOH2519 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE K A 1804 |
| Chain | Residue |
| A | ALA186 |
| A | LYS187 |
| A | GLU189 |
| A | TYR263 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE K B 1805 |
| Chain | Residue |
| B | ALA186 |
| B | LYS187 |
| B | GLU189 |
| B | TYR263 |
| site_id | BC1 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD A 1377 |
| Chain | Residue |
| A | HIS45 |
| A | CYS173 |
| A | THR177 |
| A | GLY198 |
| A | GLY200 |
| A | GLY201 |
| A | VAL202 |
| A | ASP222 |
| A | ILE223 |
| A | CYS267 |
| A | ILE268 |
| A | VAL291 |
| A | GLY292 |
| A | VAL293 |
| A | THR316 |
| A | ALA317 |
| A | PHE318 |
| A | ARG368 |
| A | HOH1817 |
| A | HOH1871 |
| A | HOH1877 |
| A | HOH1901 |
| A | HOH1941 |
| A | HOH1964 |
| A | HOH1987 |
| A | HOH1995 |
| A | HOH2187 |
| site_id | BC2 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAD B 2377 |
| Chain | Residue |
| B | HOH2862 |
| B | HOH2864 |
| B | HOH2876 |
| B | HOH2880 |
| B | HOH2889 |
| B | HOH2916 |
| B | HIS45 |
| B | TYR49 |
| B | GLY198 |
| B | GLY200 |
| B | GLY201 |
| B | VAL202 |
| B | ASP222 |
| B | ILE223 |
| B | CYS267 |
| B | ILE268 |
| B | VAL291 |
| B | GLY292 |
| B | VAL293 |
| B | ARG368 |
| B | HOH2410 |
| B | HOH2453 |
| B | HOH2460 |
| B | HOH2465 |
| B | HOH2502 |
| B | HOH2530 |
| B | HOH2547 |
| B | HOH2564 |
| B | HOH2580 |
| B | HOH2701 |
| B | HOH2739 |
| B | HOH2789 |
| B | HOH2819 |
| B | HOH2853 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 14 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"3365377","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Site: {"description":"Important for FDH activity and activation by fatty acids","evidences":[{"source":"PubMed","id":"8460164","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8494891","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N-acetylalanine","evidences":[{"source":"PubMed","id":"19413330","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"P28474","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| A | THR46 | |
| A | HIS45 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| B | THR46 | |
| B | HIS45 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| A | ASP55 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| B | ASP55 |
| site_id | MCSA1 |
| Number of Residues | 12 |
| Details | M-CSA 464 |
| Chain | Residue | Details |
| A | CYS44 | metal ligand |
| A | ARG114 | activator |
| A | CYS173 | metal ligand |
| A | ARG368 | steric role |
| A | HIS45 | proton shuttle (general acid/base) |
| A | THR46 | proton shuttle (general acid/base) |
| A | HIS66 | metal ligand |
| A | LEU67 | metal ligand |
| A | CYS96 | metal ligand |
| A | CYS99 | metal ligand |
| A | CYS102 | metal ligand |
| A | CYS110 | metal ligand |
| site_id | MCSA2 |
| Number of Residues | 12 |
| Details | M-CSA 464 |
| Chain | Residue | Details |
| B | CYS44 | metal ligand |
| B | ARG114 | activator |
| B | CYS173 | metal ligand |
| B | ARG368 | steric role |
| B | HIS45 | proton shuttle (general acid/base) |
| B | THR46 | proton shuttle (general acid/base) |
| B | HIS66 | metal ligand |
| B | LEU67 | metal ligand |
| B | CYS96 | metal ligand |
| B | CYS99 | metal ligand |
| B | CYS102 | metal ligand |
| B | CYS110 | metal ligand |
