3W2E
Crystal structure of oxidation intermediate (20 min) of NADH-cytochrome b5 reductase from pig liver
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004128 | molecular_function | cytochrome-b5 reductase activity, acting on NAD(P)H |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005741 | cellular_component | mitochondrial outer membrane |
| A | 0005783 | cellular_component | endoplasmic reticulum |
| A | 0005789 | cellular_component | endoplasmic reticulum membrane |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006694 | biological_process | steroid biosynthetic process |
| A | 0006695 | biological_process | cholesterol biosynthetic process |
| A | 0008202 | biological_process | steroid metabolic process |
| A | 0008203 | biological_process | cholesterol metabolic process |
| A | 0016020 | cellular_component | membrane |
| A | 0016126 | biological_process | sterol biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0071949 | molecular_function | FAD binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE FAD A 301 |
| Chain | Residue |
| A | HIS49 |
| A | PHE85 |
| A | HIS89 |
| A | PHE92 |
| A | GLY95 |
| A | GLY96 |
| A | LYS97 |
| A | MET98 |
| A | SER99 |
| A | THR153 |
| A | THR156 |
| A | ARG63 |
| A | NAD302 |
| A | HOH413 |
| A | HOH433 |
| A | HOH451 |
| A | HOH480 |
| A | HOH501 |
| A | HOH528 |
| A | PRO64 |
| A | TYR65 |
| A | THR66 |
| A | VAL80 |
| A | ILE81 |
| A | LYS82 |
| A | TYR84 |
| site_id | AC2 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD A 302 |
| Chain | Residue |
| A | LYS82 |
| A | TYR84 |
| A | GLY152 |
| A | THR153 |
| A | GLY154 |
| A | ALA180 |
| A | ASN181 |
| A | GLN182 |
| A | ASP211 |
| A | PHE223 |
| A | CYS245 |
| A | GLY246 |
| A | PRO247 |
| A | PRO248 |
| A | PRO249 |
| A | MET250 |
| A | PHE272 |
| A | FAD301 |
| A | HOH415 |
| A | HOH416 |
| A | HOH479 |
| A | HOH480 |
| A | HOH494 |
| A | HOH497 |
| A | HOH499 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:7893687, ECO:0007744|PDB:1NDH |
| Chain | Residue | Details |
| A | ARG63 | |
| A | PRO64 | |
| A | TYR65 | |
| A | LYS97 | |
| A | MET98 | |
| A | SER99 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P00387 |
| Chain | Residue | Details |
| A | VAL80 | |
| A | LYS82 | |
| A | TYR84 | |
| A | THR156 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P00387 |
| Chain | Residue | Details |
| A | LYS13 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:P00387 |
| Chain | Residue | Details |
| A | TYR14 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q9DCN2 |
| Chain | Residue | Details |
| A | LYS21 | |
| A | LYS91 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 862 |
| Chain | Residue | Details |
| A | HIS49 | proton shuttle (general acid/base), single electron shuttle |
| A | TYR65 | electrostatic stabiliser |
| A | THR66 | proton shuttle (general acid/base), single electron shuttle |
| A | CYS245 | alter redox potential |
