1MA0
Ternary complex of Human glutathione-dependent formaldehyde dehydrogenase with NAD+ and dodecanoic acid
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 5375 |
| Chain | Residue |
| A | CYS96 |
| A | CYS99 |
| A | CYS102 |
| A | CYS110 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN A 5376 |
| Chain | Residue |
| A | DAO5378 |
| A | CYS44 |
| A | HIS66 |
| A | GLU67 |
| A | CYS173 |
| A | ARG368 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 6375 |
| Chain | Residue |
| B | CYS96 |
| B | CYS99 |
| B | CYS102 |
| B | CYS110 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN B 6376 |
| Chain | Residue |
| B | CYS44 |
| B | HIS66 |
| B | GLU67 |
| B | CYS173 |
| B | DAO6378 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE K B 6501 |
| Chain | Residue |
| A | HOH6799 |
| A | HOH6804 |
| B | ALA186 |
| B | LYS187 |
| B | GLU189 |
| B | TYR263 |
| B | HOH6684 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K A 6602 |
| Chain | Residue |
| A | ALA186 |
| A | LYS187 |
| A | GLU189 |
| A | TYR263 |
| A | HOH6728 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 A 5001 |
| Chain | Residue |
| A | LYS314 |
| A | HOH6762 |
| A | HOH6794 |
| A | HOH6833 |
| B | LYS314 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PO4 A 6002 |
| Chain | Residue |
| A | LYS83 |
| A | LYS158 |
| B | LYS83 |
| B | HOH6780 |
| site_id | AC9 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NAD A 5377 |
| Chain | Residue |
| A | HIS45 |
| A | THR46 |
| A | THR177 |
| A | GLY198 |
| A | GLY200 |
| A | GLY201 |
| A | VAL202 |
| A | ASP222 |
| A | ILE223 |
| A | LYS227 |
| A | CYS267 |
| A | ILE268 |
| A | VAL291 |
| A | GLY292 |
| A | VAL293 |
| A | THR316 |
| A | ALA317 |
| A | PHE318 |
| A | ARG368 |
| A | DAO5378 |
| A | HOH6605 |
| A | HOH6606 |
| A | HOH6608 |
| A | HOH6609 |
| A | HOH6635 |
| A | HOH6656 |
| A | HOH6660 |
| A | HOH6767 |
| A | HOH6788 |
| A | HOH6792 |
| site_id | BC1 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NAD B 6377 |
| Chain | Residue |
| B | HOH6779 |
| B | HOH6781 |
| B | HIS45 |
| B | CYS173 |
| B | THR177 |
| B | GLY198 |
| B | GLY200 |
| B | GLY201 |
| B | VAL202 |
| B | ASP222 |
| B | ILE223 |
| B | CYS267 |
| B | ILE268 |
| B | VAL291 |
| B | GLY292 |
| B | VAL293 |
| B | THR316 |
| B | ALA317 |
| B | PHE318 |
| B | ARG368 |
| B | DAO6378 |
| B | HOH6518 |
| B | HOH6536 |
| B | HOH6545 |
| B | HOH6551 |
| B | HOH6558 |
| B | HOH6576 |
| B | HOH6604 |
| B | HOH6616 |
| B | HOH6673 |
| B | HOH6758 |
| site_id | BC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE DAO A 5378 |
| Chain | Residue |
| A | CYS44 |
| A | THR46 |
| A | HIS66 |
| A | TYR92 |
| A | GLN111 |
| A | ARG114 |
| A | CYS173 |
| A | ZN5376 |
| A | NAD5377 |
| A | HOH6659 |
| A | HOH6723 |
| B | LYS283 |
| site_id | BC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE DAO B 6378 |
| Chain | Residue |
| A | LYS283 |
| B | CYS44 |
| B | THR46 |
| B | HIS66 |
| B | TYR92 |
| B | GLN111 |
| B | ARG114 |
| B | CYS173 |
| B | ALA317 |
| B | ZN6376 |
| B | NAD6377 |
| B | HOH6603 |
Functional Information from PROSITE/UniProt
| site_id | PS00059 |
| Number of Residues | 15 |
| Details | ADH_ZINC Zinc-containing alcohol dehydrogenases signature. GHEgAGIvesvGegV |
| Chain | Residue | Details |
| A | GLY65-VAL79 |
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 | GLU67 | 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 | GLU67 | metal ligand |
| B | CYS96 | metal ligand |
| B | CYS99 | metal ligand |
| B | CYS102 | metal ligand |
| B | CYS110 | metal ligand |
