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 |