1THB
REFINEMENT OF A PARTIALLY OXYGENATED T STATE HAEMOGLOBIN AT 1.5 ANGSTROMS 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 | 0005576 | cellular_component | extracellular region |
B | 0005615 | cellular_component | extracellular space |
B | 0005829 | cellular_component | cytosol |
B | 0005833 | cellular_component | hemoglobin complex |
B | 0008217 | biological_process | regulation of blood pressure |
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 | 0030185 | biological_process | nitric oxide transport |
B | 0030492 | molecular_function | hemoglobin binding |
B | 0031720 | molecular_function | haptoglobin binding |
B | 0031721 | molecular_function | hemoglobin alpha binding |
B | 0031838 | cellular_component | haptoglobin-hemoglobin complex |
B | 0042542 | biological_process | response to hydrogen peroxide |
B | 0042744 | biological_process | hydrogen peroxide catabolic process |
B | 0043177 | molecular_function | organic acid binding |
B | 0045429 | biological_process | positive regulation of nitric oxide biosynthetic process |
B | 0046872 | molecular_function | metal ion binding |
B | 0070062 | cellular_component | extracellular exosome |
B | 0070293 | biological_process | renal absorption |
B | 0070527 | biological_process | platelet aggregation |
B | 0071682 | cellular_component | endocytic vesicle lumen |
B | 0072562 | cellular_component | blood microparticle |
B | 0097746 | biological_process | blood vessel diameter maintenance |
B | 0098869 | biological_process | cellular oxidant detoxification |
B | 1904724 | cellular_component | tertiary granule lumen |
B | 1904813 | cellular_component | ficolin-1-rich granule lumen |
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 | 0005576 | cellular_component | extracellular region |
D | 0005615 | cellular_component | extracellular space |
D | 0005829 | cellular_component | cytosol |
D | 0005833 | cellular_component | hemoglobin complex |
D | 0008217 | biological_process | regulation of blood pressure |
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 | 0030185 | biological_process | nitric oxide transport |
D | 0030492 | molecular_function | hemoglobin binding |
D | 0031720 | molecular_function | haptoglobin binding |
D | 0031721 | molecular_function | hemoglobin alpha binding |
D | 0031838 | cellular_component | haptoglobin-hemoglobin complex |
D | 0042542 | biological_process | response to hydrogen peroxide |
D | 0042744 | biological_process | hydrogen peroxide catabolic process |
D | 0043177 | molecular_function | organic acid binding |
D | 0045429 | biological_process | positive regulation of nitric oxide biosynthetic process |
D | 0046872 | molecular_function | metal ion binding |
D | 0070062 | cellular_component | extracellular exosome |
D | 0070293 | biological_process | renal absorption |
D | 0070527 | biological_process | platelet aggregation |
D | 0071682 | cellular_component | endocytic vesicle lumen |
D | 0072562 | cellular_component | blood microparticle |
D | 0097746 | biological_process | blood vessel diameter maintenance |
D | 0098869 | biological_process | cellular oxidant detoxification |
D | 1904724 | cellular_component | tertiary granule lumen |
D | 1904813 | cellular_component | ficolin-1-rich granule lumen |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 27 |
Details | BINDING SITE FOR RESIDUE HEM A 142 |
Chain | Residue |
A | TYR42 |
A | LEU91 |
A | VAL93 |
A | ASN97 |
A | PHE98 |
A | LEU101 |
A | VAL132 |
A | LEU136 |
A | OXY143 |
A | HOH163 |
B | GLU90 |
A | PHE43 |
B | CYS93 |
B | ASP94 |
B | HIS146 |
B | HOH321 |
B | HOH345 |
B | HOH350 |
B | HOH385 |
C | LYS40 |
A | HIS45 |
A | HIS58 |
A | LYS61 |
A | ALA65 |
A | LEU83 |
A | LEU86 |
A | HIS87 |
site_id | AC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE OXY A 143 |
Chain | Residue |
A | HIS58 |
A | VAL62 |
A | HEM142 |
site_id | AC3 |
Number of Residues | 38 |
Details | BINDING SITE FOR RESIDUE HEM B 147 |
Chain | Residue |
A | ASP6 |
A | ASN9 |
A | VAL10 |
A | ALA13 |
A | LEU106 |
A | GLU116 |
A | PHE117 |
A | VAL121 |
A | HIS122 |
A | ALA123 |
A | SER124 |
A | LEU125 |
A | ASP126 |
A | LYS127 |
A | HOH151 |
B | LEU31 |
B | VAL34 |
B | TYR35 |
B | TRP37 |
B | PHE41 |
B | HIS63 |
B | LYS66 |
B | VAL67 |
B | ALA70 |
B | PHE71 |
B | LEU91 |
B | HIS92 |
B | LEU96 |
B | ASN102 |
B | PHE103 |
B | VAL109 |
B | LEU141 |
B | HOH331 |
B | HOH333 |
B | HOH361 |
B | HOH401 |
B | HOH405 |
C | ARG141 |
site_id | AC4 |
Number of Residues | 37 |
Details | BINDING SITE FOR RESIDUE HEM C 142 |
Chain | Residue |
C | PHE98 |
C | LEU101 |
C | LEU136 |
C | OXY143 |
C | HOH185 |
C | HOH219 |
A | ARG31 |
A | LEU34 |
A | SER35 |
A | PHE36 |
A | HOH171 |
A | HOH198 |
A | HOH213 |
A | HOH218 |
A | HOH231 |
B | HIS2 |
B | THR4 |
B | GLU6 |
B | GLU7 |
B | PRO124 |
B | PRO125 |
B | ALA128 |
B | ALA129 |
B | LYS132 |
B | HOH339 |
B | HOH383 |
B | HOH399 |
C | TYR42 |
C | PHE43 |
C | HIS45 |
C | HIS58 |
C | LYS61 |
C | LEU86 |
C | HIS87 |
C | LEU91 |
C | VAL93 |
C | ASN97 |
site_id | AC5 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE OXY C 143 |
Chain | Residue |
A | LEU34 |
A | PRO37 |
A | HOH231 |
B | LYS132 |
C | HIS58 |
C | VAL62 |
C | HEM142 |
site_id | AC6 |
Number of Residues | 35 |
Details | BINDING SITE FOR RESIDUE HEM D 147 |
Chain | Residue |
D | LEU14 |
D | LEU31 |
D | PHE42 |
D | HIS63 |
D | LYS66 |
D | VAL67 |
D | ALA70 |
D | LEU91 |
D | HIS92 |
D | LEU96 |
D | ASN102 |
D | PHE103 |
D | LEU106 |
D | LEU110 |
D | VAL111 |
D | CYS112 |
D | VAL113 |
D | LEU114 |
D | ALA115 |
D | HIS116 |
D | HIS117 |
D | PHE118 |
D | GLY119 |
D | LYS120 |
D | GLU121 |
D | PHE122 |
D | THR123 |
D | PRO125 |
D | VAL126 |
D | GLN127 |
D | ALA128 |
D | ALA129 |
D | TYR130 |
D | GLN131 |
D | LEU141 |
site_id | AC7 |
Number of Residues | 29 |
Details | BINDING SITE FOR RESIDUE IHP B 315 |
Chain | Residue |
A | ARG141 |
B | LYS82 |
B | ASN139 |
B | HIS143 |
B | HOH374 |
C | LEU2 |
C | SER102 |
C | ALA123 |
C | SER124 |
C | LEU125 |
C | ASP126 |
C | LYS127 |
C | PHE128 |
C | LEU129 |
C | ALA130 |
C | SER131 |
C | VAL132 |
C | SER133 |
C | THR134 |
C | HOH148 |
C | HOH162 |
C | HOH163 |
C | HOH169 |
C | HOH186 |
C | HOH187 |
C | HOH204 |
D | HIS2 |
D | LYS82 |
D | ASN139 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 8 |
Details | BINDING: |
Chain | Residue | Details |
B | GLY83 | |
B | LYS144 | |
D | HIS2 | |
D | LEU3 | |
D | GLY83 | |
D | LYS144 | |
B | HIS2 | |
B | LEU3 |
site_id | SWS_FT_FI2 |
Number of Residues | 2 |
Details | BINDING: distal binding residue |
Chain | Residue | Details |
B | GLY64 | |
D | GLY64 |
site_id | SWS_FT_FI3 |
Number of Residues | 2 |
Details | BINDING: proximal binding residue |
Chain | Residue | Details |
A | GLY25 | |
A | GLU30 | |
A | PHE46 | |
A | LEU48 | |
A | ALA53 | |
A | LYS56 | |
A | LYS60 | |
A | ARG92 | |
A | VAL107 | |
A | LEU109 | |
A | HIS122 | |
A | THR134 | |
C | ASN9 | |
C | TRP14 | |
C | GLY25 | |
C | GLU30 | |
C | PHE46 | |
C | LEU48 | |
C | ALA53 | |
C | LYS56 | |
C | LYS60 | |
C | ARG92 | |
C | VAL107 | |
C | LEU109 | |
C | HIS122 | |
C | THR134 | |
B | CYS93 | |
D | CYS93 |
site_id | SWS_FT_FI4 |
Number of Residues | 38 |
Details | SITE: (Microbial infection) Cleavage; by N.americanus apr-2 => ECO:0000269|PubMed:12552433 |
Chain | Residue | Details |
B | PHE85 | |
B | CYS93 | |
B | LEU105 | |
B | VAL111 | |
B | LYS120 | |
B | THR123 | |
B | ALA129 | |
B | LEU141 | |
B | TYR145 | |
D | LYS8 | |
D | GLU26 | |
D | ARG30 | |
D | PRO36 | |
D | THR38 | |
D | GLY46 | |
D | ALA53 | |
D | ASN57 | |
D | SER72 | |
D | LEU75 | |
D | PHE85 | |
D | CYS93 | |
D | LEU105 | |
D | VAL111 | |
D | LYS120 | |
D | THR123 | |
D | ALA129 | |
D | LEU141 | |
D | TYR145 | |
B | LYS8 | |
B | GLU26 | |
B | ARG30 | |
B | PRO36 | |
B | THR38 | |
B | GLY46 | |
B | ALA53 | |
B | ASN57 | |
B | SER72 | |
B | LEU75 |
site_id | SWS_FT_FI5 |
Number of Residues | 6 |
Details | SITE: Not glycated => ECO:0000269|PubMed:7358733 |
Chain | Residue | Details |
B | VAL60 | |
B | GLY83 | |
B | LEU96 | |
D | VAL60 | |
D | GLY83 | |
D | LEU96 |
site_id | SWS_FT_FI6 |
Number of Residues | 2 |
Details | MOD_RES: N-pyruvate 2-iminyl-valine; in Hb A1b |
Chain | Residue | Details |
B | HIS2 | |
D | HIS2 | |
A | THR41 | |
C | THR8 | |
C | VAL17 | |
C | THR41 |
site_id | SWS_FT_FI7 |
Number of Residues | 4 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
D | ALA10 | |
D | PHE45 | |
B | ALA10 | |
B | PHE45 |
site_id | SWS_FT_FI8 |
Number of Residues | 6 |
Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
D | PRO51 | |
D | LEU88 | |
B | ALA13 | |
B | PRO51 | |
B | LEU88 | |
D | ALA13 |
site_id | SWS_FT_FI9 |
Number of Residues | 4 |
Details | MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:4531009 |
Chain | Residue | Details |
B | VAL60 | |
B | GLY83 | |
D | VAL60 | |
D | GLY83 |
site_id | SWS_FT_FI10 |
Number of Residues | 2 |
Details | MOD_RES: S-nitrosocysteine => ECO:0000269|PubMed:8637569, ECO:0000269|PubMed:9843411 |
Chain | Residue | Details |
C | HIS103 | |
C | LEU125 | |
C | VAL132 | |
C | LYS139 | |
B | ASP94 | |
D | ASP94 | |
A | VAL132 | |
A | LYS139 |
site_id | SWS_FT_FI11 |
Number of Residues | 2 |
Details | MOD_RES: N6-acetyllysine; alternate => ECO:0000269|PubMed:4531009 |
Chain | Residue | Details |
A | SER138 | |
C | LEU109 | |
C | VAL135 | |
C | SER138 | |
B | TYR145 | |
D | TYR145 |
site_id | SWS_FT_FI12 |
Number of Residues | 2 |
Details | CARBOHYD: N-linked (Glc) (glycation) valine; in Hb A1c => ECO:0000269|PubMed:635569 |
Chain | Residue | Details |
A | THR41 | |
C | THR8 | |
C | VAL17 | |
C | THR41 | |
B | HIS2 | |
D | HIS2 |
site_id | SWS_FT_FI13 |
Number of Residues | 8 |
Details | CARBOHYD: N-linked (Glc) (glycation) lysine => ECO:0000269|PubMed:7358733 |
Chain | Residue | Details |
B | VAL67 | |
B | GLU121 | |
D | SER9 | |
D | VAL18 | |
D | VAL67 | |
D | GLU121 | |
B | SER9 | |
B | VAL18 |
site_id | SWS_FT_FI14 |
Number of Residues | 2 |
Details | CARBOHYD: N-linked (Glc) (glycation) lysine; alternate => ECO:0000269|PubMed:7358733 |
Chain | Residue | Details |
B | TYR145 | |
D | TYR145 |