2W6V
Structure of Human deoxy Hemoglobin A in complex with Xenon
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 | 19 |
| Details | BINDING SITE FOR RESIDUE HEM A 1142 |
| Chain | Residue |
| A | TYR42 |
| A | LEU91 |
| A | VAL93 |
| A | ASN97 |
| A | PHE98 |
| A | LEU101 |
| A | LEU136 |
| A | HOH2071 |
| A | HOH2130 |
| A | HOH2131 |
| A | HOH2132 |
| A | PHE43 |
| A | HIS45 |
| A | PHE46 |
| A | HIS58 |
| A | LYS61 |
| A | LEU83 |
| A | LEU86 |
| A | HIS87 |
| site_id | AC2 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE HEM B 1147 |
| Chain | Residue |
| A | SER52 |
| A | ALA53 |
| B | PHE41 |
| B | HIS63 |
| B | LYS66 |
| B | VAL67 |
| B | LEU91 |
| B | HIS92 |
| B | LEU96 |
| B | ASN102 |
| B | PHE103 |
| B | LEU141 |
| B | HOH2140 |
| B | HOH2141 |
| B | HOH2142 |
| site_id | AC3 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE HEM C 1142 |
| Chain | Residue |
| C | TYR42 |
| C | PHE43 |
| C | HIS45 |
| C | HIS58 |
| C | LYS61 |
| C | LEU83 |
| C | LEU86 |
| C | HIS87 |
| C | LEU91 |
| C | VAL93 |
| C | ASN97 |
| C | PHE98 |
| C | LEU101 |
| C | LEU136 |
| C | HOH2143 |
| C | HOH2144 |
| C | HOH2145 |
| C | HOH2146 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE HEM D 1147 |
| Chain | Residue |
| D | PHE41 |
| D | HIS63 |
| D | LYS66 |
| D | VAL67 |
| D | HIS92 |
| D | LEU96 |
| D | ASN102 |
| D | PHE103 |
| D | LEU141 |
| D | HOH2135 |
| D | HOH2136 |
| D | HOH2137 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL C 1143 |
| Chain | Residue |
| C | ALA26 |
| C | GLU27 |
| C | GLU30 |
| C | HIS50 |
| C | GLY51 |
| C | VAL55 |
| C | LYS56 |
| C | HOH2029 |
| C | HOH2039 |
| C | HOH2148 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL D 1148 |
| Chain | Residue |
| C | PHE36 |
| D | ARG104 |
| D | ASN108 |
| D | HOH2138 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 1143 |
| Chain | Residue |
| A | ALA26 |
| A | GLU27 |
| A | GLU30 |
| A | SER49 |
| A | GLY51 |
| A | SER52 |
| A | VAL55 |
| A | HOH2030 |
| A | HOH2034 |
| A | HOH2061 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1149 |
| Chain | Residue |
| D | THR87 |
| D | HOH2139 |
| D | HOH2140 |
| D | HOH2141 |
| D | HOH2142 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1144 |
| Chain | Residue |
| D | HIS117 |
| D | HOH2111 |
| A | TYR24 |
| A | HIS112 |
| A | HOH2135 |
| A | HOH2136 |
| D | ASN19 |
| D | GLU22 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1148 |
| Chain | Residue |
| A | PHE36 |
| A | LEU100 |
| A | HIS103 |
| B | ASN108 |
| B | HOH2143 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1149 |
| Chain | Residue |
| B | GLU26 |
| B | HIS116 |
| B | HIS117 |
| B | HOH2042 |
| B | HOH2144 |
| B | HOH2145 |
| B | HOH2146 |
| D | GLU121 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1144 |
| Chain | Residue |
| C | LYS16 |
| C | LEU113 |
| C | PRO114 |
| C | ALA115 |
| C | GLU116 |
| C | HOH2118 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PO4 C 1145 |
| Chain | Residue |
| C | SER49 |
| C | HIS50 |
| C | HOH2149 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 D 1150 |
| Chain | Residue |
| A | HOH2101 |
| D | HIS116 |
| D | HIS117 |
| D | HOH2035 |
| D | HOH2145 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 D 1151 |
| Chain | Residue |
| D | LEU78 |
| D | ASP79 |
| D | ASN80 |
| D | LEU81 |
| D | LYS82 |
| D | HOH2123 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE XE A 1145 |
| Chain | Residue |
| A | TRP14 |
| A | PHE128 |
| site_id | BC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE XE A 1146 |
| Chain | Residue |
| A | TRP14 |
| A | TYR24 |
| A | LEU105 |
| site_id | BC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE XE A 1147 |
| Chain | Residue |
| A | PHE43 |
| A | PHE46 |
| site_id | CC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE XE C 1146 |
| Chain | Residue |
| C | TRP14 |
| C | PHE128 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE XE C 1147 |
| Chain | Residue |
| C | TRP14 |
| C | TYR24 |
| C | LEU105 |
| C | LEU109 |
| site_id | CC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE XE C 1148 |
| Chain | Residue |
| C | PHE33 |
| C | PHE46 |
| C | HIS58 |
| site_id | CC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE XE B 1150 |
| Chain | Residue |
| B | PHE103 |
| B | VAL134 |
| site_id | CC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE XE B 1151 |
| Chain | Residue |
| B | ALA10 |
| site_id | CC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE XE D 1152 |
| Chain | Residue |
| D | PHE103 |
| D | VAL134 |
| site_id | CC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE XE D 1153 |
| Chain | Residue |
| D | GLY24 |
| D | VAL67 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | BINDING: |
| Chain | Residue | Details |
| B | VAL1 | |
| B | HIS2 | |
| B | LYS82 | |
| B | HIS143 | |
| D | VAL1 | |
| D | HIS2 | |
| D | LYS82 | |
| D | HIS143 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: distal binding residue |
| Chain | Residue | Details |
| B | HIS63 | |
| D | HIS63 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: proximal binding residue |
| Chain | Residue | Details |
| B | HIS92 | |
| A | LEU91 | |
| A | LEU106 | |
| A | THR108 | |
| A | VAL121 | |
| A | SER133 | |
| C | THR8 | |
| C | ALA13 | |
| C | TYR24 | |
| C | LEU29 | |
| C | HIS45 | |
| D | HIS92 | |
| C | ASP47 | |
| C | SER52 | |
| C | VAL55 | |
| C | GLY59 | |
| C | LEU91 | |
| C | LEU106 | |
| C | THR108 | |
| C | VAL121 | |
| C | SER133 | |
| A | TYR24 | |
| A | LEU29 | |
| A | HIS45 | |
| A | ASP47 | |
| A | SER52 | |
| A | VAL55 | |
| A | GLY59 |
| 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 | GLU7 | |
| B | GLY74 | |
| B | THR84 | |
| B | HIS92 | |
| B | ARG104 | |
| B | LEU110 | |
| B | GLY119 | |
| B | PHE122 | |
| B | ALA128 | |
| B | ALA140 | |
| B | LYS144 | |
| B | GLY25 | |
| D | GLU7 | |
| D | GLY25 | |
| D | GLY29 | |
| D | TYR35 | |
| D | TRP37 | |
| D | PHE45 | |
| D | ASP52 | |
| D | GLY56 | |
| D | PHE71 | |
| D | GLY74 | |
| B | GLY29 | |
| D | THR84 | |
| D | HIS92 | |
| D | ARG104 | |
| D | LEU110 | |
| D | GLY119 | |
| D | PHE122 | |
| D | ALA128 | |
| D | ALA140 | |
| D | LYS144 | |
| B | TYR35 | |
| B | TRP37 | |
| B | PHE45 | |
| B | ASP52 | |
| B | GLY56 | |
| B | PHE71 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 6 |
| Details | SITE: Not glycated => ECO:0000269|PubMed:7358733 |
| Chain | Residue | Details |
| B | LYS59 | |
| B | LYS82 | |
| B | LYS95 | |
| D | LYS59 | |
| D | LYS82 | |
| D | LYS95 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | MOD_RES: N-pyruvate 2-iminyl-valine; in Hb A1b |
| Chain | Residue | Details |
| B | VAL1 | |
| D | VAL1 | |
| A | LYS40 | |
| C | LYS7 | |
| C | LYS16 | |
| C | LYS40 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| B | SER9 | |
| B | SER44 | |
| D | SER9 | |
| D | SER44 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 6 |
| Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| B | THR12 | |
| B | THR50 | |
| B | THR87 | |
| D | THR12 | |
| D | THR50 | |
| D | THR87 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:4531009 |
| Chain | Residue | Details |
| B | LYS59 | |
| B | LYS82 | |
| D | LYS59 | |
| D | LYS82 |
| 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 |
| B | CYS93 | |
| D | CYS93 | |
| A | SER131 | |
| A | SER138 | |
| C | SER102 | |
| C | SER124 | |
| C | SER131 | |
| C | SER138 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine; alternate => ECO:0000269|PubMed:4531009 |
| Chain | Residue | Details |
| B | LYS144 | |
| D | LYS144 | |
| A | THR137 | |
| C | THR108 | |
| C | THR134 | |
| C | THR137 |
| 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 |
| B | VAL1 | |
| D | VAL1 | |
| A | LYS40 | |
| C | LYS7 | |
| C | LYS16 | |
| C | LYS40 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 8 |
| Details | CARBOHYD: N-linked (Glc) (glycation) lysine => ECO:0000269|PubMed:7358733 |
| Chain | Residue | Details |
| B | LYS8 | |
| B | LYS17 | |
| B | LYS66 | |
| B | LYS120 | |
| D | LYS8 | |
| D | LYS17 | |
| D | LYS66 | |
| D | LYS120 |
| 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 | LYS144 | |
| D | LYS144 |
