1SHR
Crystal structure of ferrocyanide bound human hemoglobin A2 at 1.88A resolution
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004601 | molecular_function | peroxidase activity |
| A | 0005344 | molecular_function | oxygen carrier activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0005515 | molecular_function | protein binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005615 | cellular_component | extracellular space |
| A | 0005829 | cellular_component | cytosol |
| A | 0005833 | cellular_component | hemoglobin complex |
| A | 0015670 | biological_process | carbon dioxide transport |
| A | 0015671 | biological_process | oxygen transport |
| A | 0016020 | cellular_component | membrane |
| A | 0019825 | molecular_function | oxygen binding |
| A | 0020037 | molecular_function | heme binding |
| A | 0030185 | biological_process | nitric oxide transport |
| A | 0031720 | molecular_function | haptoglobin binding |
| A | 0031838 | cellular_component | haptoglobin-hemoglobin complex |
| A | 0042542 | biological_process | response to hydrogen peroxide |
| A | 0042744 | biological_process | hydrogen peroxide catabolic process |
| A | 0043177 | molecular_function | organic acid binding |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0071682 | cellular_component | endocytic vesicle lumen |
| A | 0072562 | cellular_component | blood microparticle |
| A | 0098869 | biological_process | cellular oxidant detoxification |
| B | 0004601 | molecular_function | peroxidase activity |
| B | 0005344 | molecular_function | oxygen carrier activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005829 | cellular_component | cytosol |
| B | 0005833 | cellular_component | hemoglobin complex |
| B | 0015670 | biological_process | carbon dioxide transport |
| B | 0015671 | biological_process | oxygen transport |
| B | 0019825 | molecular_function | oxygen binding |
| B | 0020037 | molecular_function | heme binding |
| B | 0031720 | molecular_function | haptoglobin binding |
| B | 0031721 | molecular_function | hemoglobin alpha binding |
| B | 0031838 | cellular_component | haptoglobin-hemoglobin complex |
| B | 0042744 | biological_process | hydrogen peroxide catabolic process |
| B | 0043177 | molecular_function | organic acid binding |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0072562 | cellular_component | blood microparticle |
| B | 0098869 | biological_process | cellular oxidant detoxification |
| C | 0004601 | molecular_function | peroxidase activity |
| C | 0005344 | molecular_function | oxygen carrier activity |
| C | 0005506 | molecular_function | iron ion binding |
| C | 0005515 | molecular_function | protein binding |
| C | 0005576 | cellular_component | extracellular region |
| C | 0005615 | cellular_component | extracellular space |
| C | 0005829 | cellular_component | cytosol |
| C | 0005833 | cellular_component | hemoglobin complex |
| C | 0015670 | biological_process | carbon dioxide transport |
| C | 0015671 | biological_process | oxygen transport |
| C | 0016020 | cellular_component | membrane |
| C | 0019825 | molecular_function | oxygen binding |
| C | 0020037 | molecular_function | heme binding |
| C | 0030185 | biological_process | nitric oxide transport |
| C | 0031720 | molecular_function | haptoglobin binding |
| C | 0031838 | cellular_component | haptoglobin-hemoglobin complex |
| C | 0042542 | biological_process | response to hydrogen peroxide |
| C | 0042744 | biological_process | hydrogen peroxide catabolic process |
| C | 0043177 | molecular_function | organic acid binding |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0070062 | cellular_component | extracellular exosome |
| C | 0071682 | cellular_component | endocytic vesicle lumen |
| C | 0072562 | cellular_component | blood microparticle |
| C | 0098869 | biological_process | cellular oxidant detoxification |
| D | 0004601 | molecular_function | peroxidase activity |
| D | 0005344 | molecular_function | oxygen carrier activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005829 | cellular_component | cytosol |
| D | 0005833 | cellular_component | hemoglobin complex |
| D | 0015670 | biological_process | carbon dioxide transport |
| D | 0015671 | biological_process | oxygen transport |
| D | 0019825 | molecular_function | oxygen binding |
| D | 0020037 | molecular_function | heme binding |
| D | 0031720 | molecular_function | haptoglobin binding |
| D | 0031721 | molecular_function | hemoglobin alpha binding |
| D | 0031838 | cellular_component | haptoglobin-hemoglobin complex |
| D | 0042744 | biological_process | hydrogen peroxide catabolic process |
| D | 0043177 | molecular_function | organic acid binding |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0072562 | cellular_component | blood microparticle |
| D | 0098869 | biological_process | cellular oxidant detoxification |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CYN A 143 |
| Chain | Residue |
| A | LEU29 |
| A | HIS58 |
| A | VAL62 |
| A | HEM142 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CYN B 348 |
| Chain | Residue |
| B | LEU28 |
| B | HIS63 |
| B | VAL67 |
| B | HEM347 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CYN C 543 |
| Chain | Residue |
| C | HIS58 |
| C | VAL62 |
| C | HEM542 |
| C | LEU29 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CYN D 748 |
| Chain | Residue |
| D | LEU28 |
| D | PHE42 |
| D | HIS63 |
| D | VAL67 |
| D | HEM747 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE B 801 |
| Chain | Residue |
| B | HIS143 |
| B | HIS146 |
| B | CYN809 |
| D | HIS146 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE FE D 802 |
| Chain | Residue |
| D | HIS143 |
| D | CYN808 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE A 803 |
| Chain | Residue |
| A | ASP75 |
| A | MET76 |
| A | PRO77 |
| A | HOH1143 |
| A | HOH1248 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CYN B 804 |
| Chain | Residue |
| B | LYS82 |
| B | HIS143 |
| B | CYN809 |
| D | CYN805 |
| D | CYN806 |
| D | CYN807 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CYN D 805 |
| Chain | Residue |
| B | CYN804 |
| B | CYN809 |
| D | LYS82 |
| D | CYN806 |
| D | CYN808 |
| D | HOH1430 |
| D | HOH1736 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CYN D 806 |
| Chain | Residue |
| B | CYN804 |
| D | CYN805 |
| D | CYN807 |
| D | CYN808 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CYN D 807 |
| Chain | Residue |
| B | CYN804 |
| B | CYN809 |
| D | TYR145 |
| D | HIS146 |
| D | CYN806 |
| D | CYN808 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CYN D 808 |
| Chain | Residue |
| B | CYN809 |
| D | LYS82 |
| D | HIS143 |
| D | FE802 |
| D | CYN805 |
| D | CYN806 |
| D | CYN807 |
| site_id | BC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CYN B 809 |
| Chain | Residue |
| B | HIS143 |
| B | HIS146 |
| B | FE801 |
| B | CYN804 |
| D | LYS82 |
| D | HIS146 |
| D | CYN805 |
| D | CYN807 |
| D | CYN808 |
| site_id | BC5 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE HEM A 142 |
| Chain | Residue |
| A | TYR42 |
| A | PHE43 |
| A | PHE46 |
| A | HIS58 |
| A | LYS61 |
| A | LEU83 |
| A | LEU86 |
| A | HIS87 |
| A | LEU91 |
| A | VAL93 |
| A | ASN97 |
| A | PHE98 |
| A | LEU101 |
| A | LEU136 |
| A | CYN143 |
| A | HOH1259 |
| A | HOH1341 |
| A | HOH1444 |
| A | HOH1464 |
| A | HOH1485 |
| A | HOH1617 |
| A | HOH1692 |
| site_id | BC6 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE HEM B 347 |
| Chain | Residue |
| B | ASN102 |
| B | LEU106 |
| B | LEU141 |
| B | CYN348 |
| B | HOH1157 |
| B | HOH1175 |
| B | HOH1255 |
| B | HOH1302 |
| C | PRO4 |
| C | ALA5 |
| C | THR8 |
| B | THR38 |
| B | PHE41 |
| B | PHE42 |
| B | HIS63 |
| B | LYS66 |
| B | PHE71 |
| B | LEU88 |
| B | HIS92 |
| B | LEU96 |
| B | VAL98 |
| site_id | BC7 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE HEM C 542 |
| Chain | Residue |
| C | TYR42 |
| C | PHE43 |
| C | HIS45 |
| C | PHE46 |
| C | HIS58 |
| C | LYS61 |
| C | LEU83 |
| C | LEU86 |
| C | HIS87 |
| C | LEU91 |
| C | VAL93 |
| C | ASN97 |
| C | PHE98 |
| C | LEU101 |
| C | LEU136 |
| C | CYN543 |
| C | HOH1284 |
| C | HOH1633 |
| C | HOH1698 |
| site_id | BC8 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE HEM D 747 |
| Chain | Residue |
| D | THR38 |
| D | PHE41 |
| D | PHE42 |
| D | HIS63 |
| D | ALA70 |
| D | HIS92 |
| D | LEU96 |
| D | VAL98 |
| D | ASN102 |
| D | PHE103 |
| D | LEU106 |
| D | LEU141 |
| D | CYN748 |
| D | HOH1107 |
| D | HOH1131 |
| D | HOH1587 |
| D | HOH1609 |
| D | HOH1695 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | BINDING: distal binding residue => ECO:0000250|UniProtKB:P80044 |
| Chain | Residue | Details |
| B | GLY64 | |
| D | GLY64 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: proximal binding residue => ECO:0000269|PubMed:15449937, ECO:0007744|PDB:1SHR, ECO:0007744|PDB:1SI4 |
| Chain | Residue | Details |
| B | CYS93 | |
| D | CYS93 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylalanine; in variant Niigata => ECO:0000269|PubMed:1787103 |
| Chain | Residue | Details |
| B | HIS2 | |
| A | ARG92 | |
| A | VAL107 | |
| A | LEU109 | |
| A | HIS122 | |
| A | THR134 | |
| C | ASN9 | |
| C | TRP14 | |
| C | GLY25 | |
| C | GLU30 | |
| C | PHE46 | |
| D | HIS2 | |
| C | LEU48 | |
| C | ALA53 | |
| C | LYS56 | |
| C | LYS60 | |
| C | ARG92 | |
| C | VAL107 | |
| C | LEU109 | |
| C | HIS122 | |
| C | THR134 | |
| A | GLY25 | |
| A | GLU30 | |
| A | PHE46 | |
| A | LEU48 | |
| A | ALA53 | |
| A | LYS56 | |
| A | LYS60 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| B | PRO51 | |
| C | LEU100 | |
| D | PRO51 | |
| A | LYS61 | |
| A | LEU91 | |
| A | LEU100 | |
| C | ALA12 | |
| C | GLY57 | |
| C | LYS61 | |
| C | LEU91 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 6 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | PRO4 | |
| A | PHE36 | |
| A | HIS50 | |
| C | PRO4 | |
| C | PHE36 | |
| C | HIS50 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 6 |
| Details | MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:P01942 |
| Chain | Residue | Details |
| A | THR8 | |
| A | VAL17 | |
| A | THR41 | |
| C | THR8 | |
| C | VAL17 | |
| C | THR41 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | ASN9 | |
| C | ASN9 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:P01942 |
| Chain | Residue | Details |
| A | ALA12 | |
| C | ALA12 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | GLY25 | |
| C | GLY25 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 8 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P01942 |
| Chain | Residue | Details |
| A | HIS103 | |
| A | LEU125 | |
| A | VAL132 | |
| A | LYS139 | |
| C | HIS103 | |
| C | LEU125 | |
| C | VAL132 | |
| C | LYS139 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 6 |
| Details | MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P01942 |
| Chain | Residue | Details |
| A | LEU109 | |
| A | VAL135 | |
| A | SER138 | |
| C | LEU109 | |
| C | VAL135 | |
| C | SER138 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 6 |
| Details | CARBOHYD: N-linked (Glc) (glycation) lysine; alternate => ECO:0000269|PubMed:7358733 |
| Chain | Residue | Details |
| A | THR8 | |
| A | VAL17 | |
| A | THR41 | |
| C | THR8 | |
| C | VAL17 | |
| C | THR41 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 2 |
| Details | CARBOHYD: N-linked (Glc) (glycation) lysine => ECO:0000269|PubMed:7358733 |
| Chain | Residue | Details |
| A | VAL62 | |
| C | VAL62 |
