UniProt P68871
Hemoglobin subunit beta (P68871)
Hemoglobin subunit beta (UniProt P68871): 541 experimental structures and 1 predicted model on GenesisL1, 24 ligands bound, 104 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P68871
- Protein
- Hemoglobin subunit beta
- Experimental structures
- 541
- Predicted models
- 1
- Ligands
- 24
- Pockets
- 104 · 15 records with a druggable one
Structures
542 records of P68871 in the MolNFT archive: 541 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1A00 | Hemoglobin (val BETA1 met, TRP BETA37 tyr) mutant | x-ray diffraction | B, D | — | — |
| 1A00 | Hemoglobin (val BETA1 met, TRP BETA37 tyr) mutant | x-ray diffraction | B, D | — | — |
| 1A01 | Hemoglobin (val BETA1 met, TRP BETA37 ala) mutant | x-ray diffraction | B, D | — | — |
| 1A01 | Hemoglobin (val BETA1 met, TRP BETA37 ala) mutant | x-ray diffraction | B, D | — | — |
| 1A0U | Hemoglobin (val BETA1 met) mutant | x-ray diffraction | B, D | — | — |
| 1A0U | Hemoglobin (val BETA1 met) mutant | x-ray diffraction | B, D | — | — |
| 1A0Z | Hemoglobin (val BETA1 met) mutant | x-ray diffraction | B, D | — | — |
| 1A0Z | Hemoglobin (val BETA1 met) mutant | x-ray diffraction | B, D | — | — |
| 1A3N | Deoxy human hemoglobin | x-ray diffraction | B, D | — | — |
| 1A3N | 1a3n | x-ray diffraction | B, D | — | — |
| 1A3O | Artificial mutant (alpha Y42H) of deoxy hemoglobin | x-ray diffraction | B, D | — | — |
| 1A3O | Artificial mutant (alpha Y42H) of deoxy hemoglobin | x-ray diffraction | B, D | — | — |
| 1ABW | Deoxy RHB1.1 (recombinant hemoglobin) | x-ray diffraction | B, D | — | — |
| 1ABW | Deoxy RHB1.1 (recombinant hemoglobin) | x-ray diffraction | B, D | — | — |
| 1ABY | Cyanomet RHB1.1 (recombinant hemoglobin) | x-ray diffraction | B, D | — | — |
| 1ABY | Cyanomet RHB1.1 (recombinant hemoglobin) | x-ray diffraction | B, D | — | — |
| 1AJ9 | R-state human carbonmonoxyhemoglobin alpha-A53S | x-ray diffraction | B | — | — |
| 1AJ9 | R-state human carbonmonoxyhemoglobin alpha-A53S | x-ray diffraction | B | — | — |
| 1B86 | Human deoxyhaemoglobin-2,3-diphosphoglycerate complex | x-ray diffraction | B, D | — | — |
| 1B86 | Human deoxyhaemoglobin-2,3-diphosphoglycerate complex | x-ray diffraction | B, D | — | — |
| 1BAB | Hemoglobin thionville: an alpha-chain variant with a substitution of a glutamate for valine at na-1… | x-ray diffraction | B, D | — | — |
| 1BAB | Hemoglobin thionville: an alpha-chain variant with a substitution of a glutamate for valine at na-1… | x-ray diffraction | B, D | — | — |
| 1BBB | A third quaternary structure of human hemoglobin a at 1.7-ångströms resolution | x-ray diffraction | B, D | — | — |
| 1BBB | A third quaternary structure of human hemoglobin a at 1.7-ångströms resolution | x-ray diffraction | B, D | — | — |
| 1BIJ | Crosslinked, deoxy human hemoglobin a | x-ray diffraction | B, D | — | — |
| 1BIJ | Crosslinked, deoxy human hemoglobin a | x-ray diffraction | B, D | — | — |
| 1BZ0 | Hemoglobin a (human, deoxy, high salt) | x-ray diffraction | B, D | — | — |
| 1BZ0 | Hemoglobin a (human, deoxy, high salt) | x-ray diffraction | B, D | — | — |
| 1BZ1 | Hemoglobin (alpha + met) variant | x-ray diffraction | B, D | — | — |
| 1BZ1 | Hemoglobin (alpha + met) variant | x-ray diffraction | B, D | — | — |
| 1BZZ | Hemoglobin (alpha V1M) mutant | x-ray diffraction | B, D | — | — |
| 1BZZ | Hemoglobin (alpha V1M) mutant | x-ray diffraction | B, D | — | — |
| 1C7B | Deoxy RHB1.0 (recombinant hemoglobin) | x-ray diffraction | B, D | — | — |
| 1C7B | Deoxy RHB1.0 (recombinant hemoglobin) | x-ray diffraction | B, D | — | — |
| 1C7C | Deoxy RHB1.1 (recombinant hemoglobin) | x-ray diffraction | B, D | — | — |
| 1C7C | Deoxy RHB1.1 (recombinant hemoglobin) | x-ray diffraction | B, D | — | — |
| 1C7D | Deoxy RHB1.2 (recombinant hemoglobin) | x-ray diffraction | B, D | — | — |
| 1C7D | Deoxy RHB1.2 (recombinant hemoglobin) | x-ray diffraction | B, D | — | — |
| 1CBL | The 1.9 ångström structure of deoxy-BETA4 hemoglobin: analysis of the partitioning of… | x-ray diffraction | A, B, C, D | — | — |
| 1CBL | The 1.9 ångström structure of deoxy-BETA4 hemoglobin: analysis of the partitioning of… | x-ray diffraction | A, B, C, D | — | — |
| 1CBM | The 1.8 ångström structure of carbonmonoxy-BETA4 hemoglobin: analysis of a homotetramer with the R… | x-ray diffraction | A, B, C, D | — | — |
| 1CBM | The 1.8 ångström structure of carbonmonoxy-BETA4 hemoglobin: analysis of a homotetramer with the R… | x-ray diffraction | A, B, C, D | — | — |
| 1CLS | Cross-linked human hemoglobin deoxy | x-ray diffraction | B, D | — | — |
| 1CLS | Cross-linked human hemoglobin deoxy | x-ray diffraction | B, D | — | — |
| 1CMY | The mutation BETA99 asp-tyr stabilizes Y-a new, composite quaternary state of human hemoglobin | x-ray diffraction | B, D | — | — |
| 1CMY | The mutation BETA99 asp-tyr stabilizes Y-a new, composite quaternary state of human hemoglobin | x-ray diffraction | B, D | — | — |
| 1COH | Structure of haemoglobin in the deoxy quaternary state with ligand bound at the alpha haems | x-ray diffraction | B, D | — | — |
| 1COH | Structure of haemoglobin in the deoxy quaternary state with ligand bound at the alpha haems | x-ray diffraction | B, D | — | — |
| 1DKE | Ni beta heme human hemoglobin | x-ray diffraction | B, D | — | — |
| 1DKE | Ni beta heme human hemoglobin | x-ray diffraction | B, D | — | — |
| 1DXT | High-resolution X-ray study of deoxy recombinant human hemoglobins synthesized from beta-globins… | x-ray diffraction | B, D | HEM | — |
| 1DXT | High-resolution X-ray study of deoxy recombinant human hemoglobins synthesized from beta-globins… | x-ray diffraction | B, D | HEM | — |
| 1DXU | High-resolution X-ray study of deoxy recombinant human hemoglobins synthesized from beta-globins… | x-ray diffraction | B, D | — | — |
| 1DXU | High-resolution X-ray study of deoxy recombinant human hemoglobins synthesized from beta-globins… | x-ray diffraction | B, D | — | — |
| 1DXV | High-resolution X-ray study of deoxy recombinant human hemoglobins synthesized from beta-globins… | x-ray diffraction | B, D | — | — |
| 1DXV | High-resolution X-ray study of deoxy recombinant human hemoglobins synthesized from beta-globins… | x-ray diffraction | B, D | — | — |
| 1FN3 | Crystal structure of nickel reconstituted hemoglobin-a case for permanent, T-state hemoglobin | x-ray diffraction | B, D | — | — |
| 1FN3 | Crystal structure of nickel reconstituted hemoglobin-a case for permanent, T-state hemoglobin | x-ray diffraction | B, D | — | — |
| 1G9V | High resolution crystal structure of deoxy hemoglobin complexed with a potent allosteric effector | x-ray diffraction | B, D | — | — |
| 1G9V | High resolution crystal structure of deoxy hemoglobin complexed with a potent allosteric effector | x-ray diffraction | B, D | — | — |
482 records more on the page itself.
Ligands
- HEM · Protoporphyrin IX containing Fe · in 92 records
- CMO · Carbon monoxide · in 44 records
- HNI · Protoporphyrin IX containing ni(ii) · in 14 records
- 2FU · But-2-enedial · in 11 records
- OXY · Oxygen molecule · in 6 records
- O4B · 1,4,7,10,13,16-hexaoxacyclooctadecane · in 4 records
- PEM · 2-[P-[2-P-chlorobenzamido)ethyl]phenoxy]-2-methylpropionic acid · in 3 records
- S1P · (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate · in 3 records
- SO4 · Sulfate ion · in 3 records
- DG2 · (2R)-2,3-diphosphoglyceric acid · in 2 records
- EBJ · 1H-1,2,3-triazole-5-thiol · in 2 records
- FE · Fe (III) ion · in 2 records
- G7Z · 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide · in 2 records
- H2S · Hydrosulfuric acid · in 2 records
- 5JN · 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate · in 1 record
- FRU · beta-D-fructofuranose · in 1 record
- K7M · (2R)-N-hydroxy-1-phenylpropan-2-amine · in 1 record
- KOH · 3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid · in 1 record
- MBN · Toluene · in 1 record
- MWC · Dihydroxy[(5-methylfuran-2-yl)methoxy]amine · in 1 record
- N2Q · (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole · in 1 record
- NO3 · Nitrate ion · in 1 record
- NSM · Nitrosomethane · in 1 record
- RQ3 · 2-{4-[(3,5-dimethylanilino)-carbonyl-methyl]-phenoxy}-2-methylpropionic acid · in 1 record
Experiment against prediction
- 1RQA chain B against the predicted model P68871: TM-score 0.99, RMSD 0.40 Å
- 1HGB chain B against the predicted model P68871: TM-score 0.99, RMSD 0.41 Å
- 1GZX chain B against the predicted model P68871: TM-score 0.99, RMSD 0.44 Å
- 1RPS chain B against the predicted model P68871: TM-score 0.99, RMSD 0.45 Å
- 1RQ4 chain B against the predicted model P68871: TM-score 0.99, RMSD 0.45 Å
- 1HGC chain B against the predicted model P68871: TM-score 0.99, RMSD 0.47 Å
- 1XYE chain B against the predicted model P68871: TM-score 0.99, RMSD 0.47 Å
- 6KAH chain D against the predicted model P68871: TM-score 0.99, RMSD 0.47 Å
- 7DY3 chain D against the predicted model P68871: TM-score 0.99, RMSD 0.48 Å
- 7DY3 chain H against the predicted model P68871: TM-score 0.99, RMSD 0.48 Å
Elsewhere
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