2W72
DEOXYGENATED STRUCTURE OF A DISTAL SITE HEMOGLOBIN MUTANT PLUS XE
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 | 0006954 | biological_process | inflammatory response |
| 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 | 0046872 | molecular_function | metal ion binding |
| A | 0048821 | biological_process | erythrocyte development |
| 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 | 0006954 | biological_process | inflammatory response |
| 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 | 0045429 | biological_process | positive regulation of nitric oxide biosynthetic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0048821 | biological_process | erythrocyte development |
| 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 | 0006954 | biological_process | inflammatory response |
| 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 | 0046872 | molecular_function | metal ion binding |
| C | 0048821 | biological_process | erythrocyte development |
| 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 | 0006954 | biological_process | inflammatory response |
| 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 | 0045429 | biological_process | positive regulation of nitric oxide biosynthetic process |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0048821 | biological_process | erythrocyte development |
| 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 | 21 |
| Details | BINDING SITE FOR RESIDUE HEM A 1142 |
| Chain | Residue |
| A | TYR29 |
| A | LEU86 |
| A | HIS87 |
| A | LEU91 |
| A | VAL93 |
| A | ASN97 |
| A | PHE98 |
| A | LEU101 |
| A | LEU136 |
| A | XE1150 |
| A | HOH2184 |
| A | TYR42 |
| A | HOH2185 |
| A | HOH2187 |
| A | PHE43 |
| A | HIS45 |
| A | PHE46 |
| A | GLN58 |
| A | LYS61 |
| A | VAL62 |
| A | LEU83 |
| site_id | AC2 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE HEM B 1147 |
| Chain | Residue |
| B | TYR28 |
| B | PHE41 |
| B | GLN63 |
| B | LYS66 |
| B | VAL67 |
| B | HIS92 |
| B | LEU96 |
| B | ASN102 |
| B | PHE103 |
| B | LEU141 |
| B | XE1151 |
| B | HOH2075 |
| B | HOH2105 |
| B | HOH2109 |
| B | HOH2187 |
| B | HOH2188 |
| B | HOH2189 |
| B | HOH2190 |
| B | HOH2191 |
| B | HOH2192 |
| site_id | AC3 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE HEM C 1142 |
| Chain | Residue |
| A | HIS45 |
| C | TYR29 |
| C | TYR42 |
| C | PHE43 |
| C | HIS45 |
| C | PHE46 |
| C | GLN58 |
| C | LYS61 |
| C | VAL62 |
| C | LEU83 |
| C | LEU86 |
| C | HIS87 |
| C | LEU91 |
| C | VAL93 |
| C | ASN97 |
| C | PHE98 |
| C | LEU101 |
| C | LEU136 |
| C | XE1150 |
| C | HOH2106 |
| C | HOH2189 |
| C | HOH2190 |
| C | HOH2191 |
| site_id | AC4 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE HEM D 1147 |
| Chain | Residue |
| C | ALA53 |
| C | HOH2085 |
| D | TYR28 |
| D | PHE41 |
| D | GLN63 |
| D | LYS66 |
| D | VAL67 |
| D | LEU91 |
| D | HIS92 |
| D | LEU96 |
| D | VAL98 |
| D | ASN102 |
| D | PHE103 |
| D | LEU141 |
| D | XE1149 |
| D | HOH2208 |
| D | HOH2209 |
| D | HOH2210 |
| D | HOH2211 |
| D | HOH2212 |
| D | HOH2213 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1143 |
| Chain | Residue |
| C | PHE36 |
| C | PRO37 |
| C | THR38 |
| C | HOH2193 |
| C | HOH2194 |
| C | HOH2195 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1148 |
| Chain | Residue |
| D | HOH2214 |
| D | HOH2215 |
| B | LYS120 |
| B | HOH2162 |
| C | PRO119 |
| D | GLU26 |
| D | ARG30 |
| D | MET55 |
| D | HIS116 |
| D | HOH2066 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1148 |
| Chain | Residue |
| B | MET1 |
| B | ASN80 |
| B | LEU81 |
| B | LYS82 |
| B | HOH2194 |
| B | HOH2195 |
| B | HOH2196 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1143 |
| Chain | Residue |
| A | PHE36 |
| A | LEU100 |
| A | HOH2188 |
| A | HOH2189 |
| A | HOH2190 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1149 |
| Chain | Residue |
| B | HIS116 |
| B | HIS117 |
| B | HOH2197 |
| B | HOH2198 |
| B | HOH2199 |
| B | HOH2200 |
| B | HOH2201 |
| C | LYS16 |
| C | HOH2163 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1144 |
| Chain | Residue |
| A | ARG141 |
| C | MET1 |
| C | LYS127 |
| C | ALA130 |
| C | HOH2197 |
| C | HOH2198 |
| C | HOH2199 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1144 |
| Chain | Residue |
| A | LYS16 |
| A | LEU113 |
| A | PRO114 |
| A | ALA115 |
| A | GLU116 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1145 |
| Chain | Residue |
| A | ALA5 |
| A | ASN9 |
| A | HOH2191 |
| A | HOH2192 |
| A | HOH2193 |
| B | PRO51 |
| site_id | BC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PO4 C 1145 |
| Chain | Residue |
| A | LYS127 |
| A | ALA130 |
| C | ARG141 |
| C | HOH2183 |
| C | HOH2200 |
| C | HOH2201 |
| C | HOH2202 |
| C | HOH2203 |
| C | HOH2204 |
| C | HOH2205 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE K B 1150 |
| Chain | Residue |
| B | ALA62 |
| B | LYS65 |
| B | LYS66 |
| B | HOH2041 |
| site_id | BC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE K C 1146 |
| Chain | Residue |
| D | ASN108 |
| D | HOH2078 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE K A 1153 |
| Chain | Residue |
| A | HOH2084 |
| A | HOH2145 |
| A | HOH2183 |
| C | HOH2076 |
| site_id | BC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE XE A 1146 |
| Chain | Residue |
| A | TRP14 |
| A | PHE128 |
| A | LEU129 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE XE A 1147 |
| Chain | Residue |
| A | TRP14 |
| A | ALA21 |
| A | TYR24 |
| A | LEU105 |
| A | LEU109 |
| site_id | CC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE XE A 1148 |
| Chain | Residue |
| A | PHE43 |
| A | PHE46 |
| A | VAL55 |
| site_id | CC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE XE A 1149 |
| Chain | Residue |
| A | VAL62 |
| A | LEU105 |
| site_id | CC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE XE A 1150 |
| Chain | Residue |
| A | LEU105 |
| A | HEM1142 |
| site_id | CC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE XE A 1151 |
| Chain | Residue |
| A | ALA13 |
| A | LEU113 |
| A | GLU116 |
| site_id | CC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE XE C 1147 |
| Chain | Residue |
| C | TRP14 |
| C | PHE128 |
| site_id | CC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE XE C 1148 |
| Chain | Residue |
| C | PHE33 |
| C | PHE43 |
| C | PHE46 |
| C | GLN58 |
| site_id | CC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE XE C 1149 |
| Chain | Residue |
| C | VAL62 |
| C | LEU101 |
| C | XE1150 |
| site_id | CC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE XE C 1150 |
| Chain | Residue |
| C | LEU101 |
| C | HEM1142 |
| C | XE1149 |
| site_id | CC9 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE XE C 1151 |
| Chain | Residue |
| C | GLU116 |
| site_id | DC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE XE B 1151 |
| Chain | Residue |
| B | PHE71 |
| B | PHE103 |
| B | LEU106 |
| B | LEU110 |
| B | VAL134 |
| B | HEM1147 |
| site_id | DC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE XE B 1152 |
| Chain | Residue |
| B | GLY24 |
| B | LEU68 |
| site_id | DC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE XE D 1149 |
| Chain | Residue |
| D | PHE71 |
| D | PHE103 |
| D | LEU106 |
| D | LEU110 |
| D | HEM1147 |
| site_id | DC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE XE D 1150 |
| Chain | Residue |
| D | GLY24 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 16 |
| Details | Peptide: {"description":"Hemopressin","featureId":"PRO_0000455882","evidences":[{"source":"PubMed","id":"18077343","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 568 |
| Details | Domain: {"description":"Globin","evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"proximal binding residue","evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 66 |
| Details | Site: {"description":"(Microbial infection) Cleavage; by N.americanus apr-2","evidences":[{"source":"PubMed","id":"12552433","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 16 |
| Details | Site: {"description":"Not glycated","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 10 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 6 |
| Details | Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 8 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 8 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI13 |
| Number of Residues | 6 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI14 |
| Number of Residues | 8 |
| Details | Glycosylation: {"description":"N-linked (Glc) (glycation) lysine; alternate","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI15 |
| Number of Residues | 10 |
| Details | Glycosylation: {"description":"N-linked (Glc) (glycation) lysine","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI16 |
| Number of Residues | 18 |
| Details | Peptide: {"description":"LVV-hemorphin-7","featureId":"PRO_0000296641"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI17 |
| Number of Residues | 12 |
| Details | Peptide: {"description":"Spinorphin","featureId":"PRO_0000424226"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI18 |
| Number of Residues | 8 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI19 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"distal binding residue"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI20 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"proximal binding residue"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI21 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N-pyruvate 2-iminyl-valine; in Hb A1b"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI22 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"4531009","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI23 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"PubMed","id":"8637569","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9843411","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI24 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"PubMed","id":"4531009","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI25 |
| Number of Residues | 2 |
| Details | Glycosylation: {"description":"N-linked (Glc) (glycation) valine; in Hb A1c","evidences":[{"source":"PubMed","id":"635569","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
