4C8R
Human gamma-butyrobetaine dioxygenase (BBOX1) in complex with Ni(II) and N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine (AR692B)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0005515 | molecular_function | protein binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| A | 0008270 | molecular_function | zinc ion binding |
| A | 0008336 | molecular_function | gamma-butyrobetaine dioxygenase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0045329 | biological_process | carnitine biosynthetic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051213 | molecular_function | dioxygenase activity |
| A | 0070062 | cellular_component | extracellular exosome |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0005515 | molecular_function | protein binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005829 | cellular_component | cytosol |
| B | 0008270 | molecular_function | zinc ion binding |
| B | 0008336 | molecular_function | gamma-butyrobetaine dioxygenase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0045329 | biological_process | carnitine biosynthetic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0051213 | molecular_function | dioxygenase activity |
| B | 0070062 | cellular_component | extracellular exosome |
| C | 0005506 | molecular_function | iron ion binding |
| C | 0005515 | molecular_function | protein binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005829 | cellular_component | cytosol |
| C | 0008270 | molecular_function | zinc ion binding |
| C | 0008336 | molecular_function | gamma-butyrobetaine dioxygenase activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0045329 | biological_process | carnitine biosynthetic process |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0051213 | molecular_function | dioxygenase activity |
| C | 0070062 | cellular_component | extracellular exosome |
| D | 0005506 | molecular_function | iron ion binding |
| D | 0005515 | molecular_function | protein binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0005829 | cellular_component | cytosol |
| D | 0008270 | molecular_function | zinc ion binding |
| D | 0008336 | molecular_function | gamma-butyrobetaine dioxygenase activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0045329 | biological_process | carnitine biosynthetic process |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0051213 | molecular_function | dioxygenase activity |
| D | 0070062 | cellular_component | extracellular exosome |
| E | 0005506 | molecular_function | iron ion binding |
| E | 0005515 | molecular_function | protein binding |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005739 | cellular_component | mitochondrion |
| E | 0005829 | cellular_component | cytosol |
| E | 0008270 | molecular_function | zinc ion binding |
| E | 0008336 | molecular_function | gamma-butyrobetaine dioxygenase activity |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0042802 | molecular_function | identical protein binding |
| E | 0045329 | biological_process | carnitine biosynthetic process |
| E | 0046872 | molecular_function | metal ion binding |
| E | 0051213 | molecular_function | dioxygenase activity |
| E | 0070062 | cellular_component | extracellular exosome |
| F | 0005506 | molecular_function | iron ion binding |
| F | 0005515 | molecular_function | protein binding |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0005739 | cellular_component | mitochondrion |
| F | 0005829 | cellular_component | cytosol |
| F | 0008270 | molecular_function | zinc ion binding |
| F | 0008336 | molecular_function | gamma-butyrobetaine dioxygenase activity |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0042802 | molecular_function | identical protein binding |
| F | 0045329 | biological_process | carnitine biosynthetic process |
| F | 0046872 | molecular_function | metal ion binding |
| F | 0051213 | molecular_function | dioxygenase activity |
| F | 0070062 | cellular_component | extracellular exosome |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NI A 501 |
| Chain | Residue |
| A | HIS202 |
| A | ASP204 |
| A | HIS347 |
| A | 6YT601 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 502 |
| Chain | Residue |
| A | CYS38 |
| A | CYS40 |
| A | CYS43 |
| A | HIS82 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 6YT A 601 |
| Chain | Residue |
| A | HIS202 |
| A | ASP204 |
| A | LEU217 |
| A | SER229 |
| A | HIS347 |
| A | GLY348 |
| A | ARG349 |
| A | ARG360 |
| A | NI501 |
| A | EDO703 |
| A | HOH2088 |
| A | HOH2099 |
| A | LEU199 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO A 701 |
| Chain | Residue |
| A | HIS209 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 702 |
| Chain | Residue |
| A | GLN114 |
| A | LEU120 |
| A | GLN121 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 703 |
| Chain | Residue |
| A | TRP181 |
| A | 6YT601 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NI B 501 |
| Chain | Residue |
| B | HIS202 |
| B | ASP204 |
| B | HIS347 |
| B | 6YT601 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 502 |
| Chain | Residue |
| B | CYS38 |
| B | CYS40 |
| B | CYS43 |
| B | HIS82 |
| site_id | AC9 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 6YT B 601 |
| Chain | Residue |
| B | LEU199 |
| B | HIS202 |
| B | ASP204 |
| B | LEU217 |
| B | SER229 |
| B | PHE340 |
| B | HIS347 |
| B | GLY348 |
| B | ARG349 |
| B | ARG360 |
| B | NI501 |
| site_id | BC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO B 701 |
| Chain | Residue |
| B | TYR177 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 702 |
| Chain | Residue |
| B | TYR115 |
| B | GLU119 |
| B | ASN236 |
| B | LYS240 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NI C 501 |
| Chain | Residue |
| C | HIS202 |
| C | ASP204 |
| C | HIS347 |
| C | 6YT601 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 502 |
| Chain | Residue |
| C | CYS38 |
| C | CYS40 |
| C | CYS43 |
| C | HIS82 |
| site_id | BC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 6YT C 601 |
| Chain | Residue |
| C | TRP181 |
| C | LEU199 |
| C | HIS202 |
| C | ASP204 |
| C | LEU217 |
| C | HIS347 |
| C | ARG349 |
| C | ARG360 |
| C | NI501 |
| C | EDO701 |
| C | HOH2090 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 701 |
| Chain | Residue |
| C | TYR177 |
| C | TYR205 |
| C | ASP261 |
| C | 6YT601 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO C 702 |
| Chain | Residue |
| C | HIS209 |
| D | PHE109 |
| site_id | BC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO C 703 |
| Chain | Residue |
| C | GLU119 |
| C | ASN236 |
| site_id | BC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO C 704 |
| Chain | Residue |
| C | ALA57 |
| C | ASP80 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NI D 501 |
| Chain | Residue |
| D | HIS202 |
| D | ASP204 |
| D | HIS347 |
| D | 6YT601 |
| D | HOH2037 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN D 502 |
| Chain | Residue |
| D | CYS38 |
| D | CYS40 |
| D | CYS43 |
| D | HIS82 |
| site_id | CC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 6YT D 601 |
| Chain | Residue |
| F | ASN191 |
| D | TYR177 |
| D | TRP181 |
| D | LEU199 |
| D | HIS202 |
| D | ASP204 |
| D | HIS347 |
| D | ARG349 |
| D | ARG360 |
| D | NI501 |
| D | HOH2037 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NI E 501 |
| Chain | Residue |
| E | HIS202 |
| E | ASP204 |
| E | HIS347 |
| E | 6YT601 |
| site_id | CC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN E 502 |
| Chain | Residue |
| E | CYS38 |
| E | CYS40 |
| E | CYS43 |
| E | HIS82 |
| site_id | CC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 6YT E 601 |
| Chain | Residue |
| E | TRP181 |
| E | VAL183 |
| E | LEU199 |
| E | HIS202 |
| E | ASP204 |
| E | HIS347 |
| E | ARG349 |
| E | ARG360 |
| E | NI501 |
| E | EDO701 |
| site_id | CC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO E 701 |
| Chain | Residue |
| E | TYR177 |
| E | TRP181 |
| E | 6YT601 |
| site_id | CC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO E 702 |
| Chain | Residue |
| E | GLU119 |
| E | GLN121 |
| site_id | CC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO E 703 |
| Chain | Residue |
| E | PHE109 |
| F | HIS209 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NI F 501 |
| Chain | Residue |
| F | HIS202 |
| F | ASP204 |
| F | HIS347 |
| F | 6YT601 |
| F | HOH2035 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN F 502 |
| Chain | Residue |
| F | CYS38 |
| F | CYS40 |
| F | CYS43 |
| F | HIS82 |
| site_id | DC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 6YT F 601 |
| Chain | Residue |
| D | ASN191 |
| F | LEU199 |
| F | HIS202 |
| F | LEU217 |
| F | SER229 |
| F | PHE340 |
| F | HIS347 |
| F | ARG349 |
| F | ARG360 |
| F | NI501 |
| F | HOH2035 |
| site_id | DC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO F 701 |
| Chain | Residue |
| F | ASN236 |
| F | LYS240 |
| site_id | DC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO F 702 |
| Chain | Residue |
| F | GLN114 |
| F | GLN121 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 24 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | CYS38 | |
| C | CYS40 | |
| C | CYS43 | |
| C | HIS82 | |
| D | CYS38 | |
| D | CYS40 | |
| D | CYS43 | |
| D | HIS82 | |
| E | CYS38 | |
| E | CYS40 | |
| E | CYS43 | |
| A | CYS40 | |
| E | HIS82 | |
| F | CYS38 | |
| F | CYS40 | |
| F | CYS43 | |
| F | HIS82 | |
| A | CYS43 | |
| A | HIS82 | |
| B | CYS38 | |
| B | CYS40 | |
| B | CYS43 | |
| B | HIS82 | |
| C | CYS38 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 18 |
| Details | BINDING: BINDING => ECO:0000305 |
| Chain | Residue | Details |
| A | HIS202 | |
| D | HIS202 | |
| D | ASP204 | |
| D | HIS347 | |
| E | HIS202 | |
| E | ASP204 | |
| E | HIS347 | |
| F | HIS202 | |
| F | ASP204 | |
| F | HIS347 | |
| A | ASP204 | |
| A | HIS347 | |
| B | HIS202 | |
| B | ASP204 | |
| B | HIS347 | |
| C | HIS202 | |
| C | ASP204 | |
| C | HIS347 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q9QZU7 |
| Chain | Residue | Details |
| A | SER351 | |
| B | SER351 | |
| C | SER351 | |
| D | SER351 | |
| E | SER351 | |
| F | SER351 |
