1IWH
Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005344 | molecular_function | oxygen carrier activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0005833 | cellular_component | hemoglobin complex |
| A | 0015671 | biological_process | oxygen transport |
| A | 0019825 | molecular_function | oxygen binding |
| A | 0020037 | molecular_function | heme binding |
| A | 0031838 | cellular_component | haptoglobin-hemoglobin complex |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0048821 | biological_process | erythrocyte development |
| B | 0005344 | molecular_function | oxygen carrier activity |
| B | 0005833 | cellular_component | hemoglobin complex |
| B | 0015671 | biological_process | oxygen transport |
| B | 0019825 | molecular_function | oxygen binding |
| B | 0020037 | molecular_function | heme binding |
| B | 0031721 | molecular_function | hemoglobin alpha binding |
| B | 0031838 | cellular_component | haptoglobin-hemoglobin complex |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0048821 | biological_process | erythrocyte development |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE HEM A 142 |
| Chain | Residue |
| A | TYR42 |
| A | ASN97 |
| A | PHE98 |
| A | LEU101 |
| A | LEU136 |
| A | CMO143 |
| A | PEM501 |
| A | HOH1007 |
| A | HOH1070 |
| A | HOH1119 |
| A | HOH1126 |
| A | HIS58 |
| A | HOH1127 |
| A | HOH1181 |
| A | HOH1229 |
| A | LYS61 |
| A | ASN82 |
| A | LEU83 |
| A | LEU86 |
| A | HIS87 |
| A | LEU91 |
| A | VAL93 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CMO A 143 |
| Chain | Residue |
| A | HIS58 |
| A | VAL62 |
| A | HIS87 |
| A | HEM142 |
| site_id | AC3 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE HEM B 347 |
| Chain | Residue |
| B | THR238 |
| B | PHE241 |
| B | PHE242 |
| B | HIS263 |
| B | LYS266 |
| B | SER270 |
| B | LEU288 |
| B | HIS292 |
| B | LEU296 |
| B | ASN302 |
| B | PHE303 |
| B | LEU306 |
| B | LEU341 |
| B | CMO348 |
| B | HOH1051 |
| B | HOH1130 |
| B | HOH1180 |
| B | HOH1241 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CMO B 348 |
| Chain | Residue |
| B | HIS263 |
| B | VAL267 |
| B | HIS292 |
| B | HEM347 |
| site_id | AC5 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PEM A 501 |
| Chain | Residue |
| A | ALA57 |
| A | LYS60 |
| A | LYS61 |
| A | ASP64 |
| A | ALA65 |
| A | LEU68 |
| A | HEM142 |
| A | HOH1001 |
| A | HOH1001 |
| A | HOH1053 |
| A | HOH1091 |
| A | HOH1273 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | Peptide: {"description":"Hemopressin","featureId":"PRO_0000455881","evidences":[{"source":"UniProtKB","id":"P01946","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 284 |
| Details | Domain: {"description":"Globin","evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| 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 | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P69905","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 3 |
| Details | Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P69905","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| 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 | 1 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"P69905","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 3 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 1 |
| Details | Binding site: {"description":"distal binding residue","evidences":[{"source":"UniProtKB","id":"P80044","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI13 |
| Number of Residues | 1 |
| Details | Binding site: {"description":"proximal binding residue","evidences":[{"source":"PubMed","id":"561852","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1G0B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IBE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IWH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NS9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1Y8H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1Y8I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1Y8K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2D5X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2DHB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2MHB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ZLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ZLU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ZLV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ZLW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ZLX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI14 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"N-acetylvaline","evidences":[{"source":"UniProtKB","id":"P02086","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI15 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P68871","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI16 |
| Number of Residues | 3 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P68871","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI17 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"UniProtKB","id":"P68871","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
