UniProt P05109
Protein S100-A8 (P05109)
Protein S100-A8 (UniProt P05109): 19 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 45 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P05109
- Protein
- Protein S100-A8
- Experimental structures
- 19
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 45 · 5 records with a druggable one
Structures
20 records of P05109 in the MolNFT archive: 19 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1MR8 | Migration inhibitory factor-related protein 8 from human | x-ray diffraction | A, B | — | — |
| 1MR8 | Migration inhibitory factor-related protein 8 from human | x-ray diffraction | A, B | — | — |
| 1XK4 | Crystal structure of human calprotectin(S100A8/S100A9) | x-ray diffraction | A, B, E, F, I, J | — | — |
| 1XK4 | Crystal structure of human CALPROTECTIN(S100A8/S100A9) | x-ray diffraction | A, B, E, F, I, J | — | — |
| 4GGF | Crystal structure of Mn2+ bound calprotectin | x-ray diffraction | A, K, S, U | — | — |
| 4GGF | Crystal structure of MN2+ bound calprotectin | x-ray diffraction | A, K, S, U | — | — |
| 4XJK | Crystal structure of Mn(II) Ca(II) Na(I) bound calprotectin | x-ray diffraction | A, C, E, G, I | CA, NA, MN | 15 (best 0.83) |
| 4XJK | Crystal structure of MN(II) CA(II) NA(I) bound calprotectin | x-ray diffraction | A, C, E, G, I | — | — |
| 5HLO | Crystal structure of calcium and zinc-bound human S100A8 in space group C2221 | x-ray diffraction | A, B, C, D | CA, ZN, CL | — |
| 5HLO | Crystal structure of calcium and zinc-bound human S100A8 in space group C2221 | x-ray diffraction | A, B, C, D | — | — |
| 5HLV | Crystal structure of calcium and zinc-bound human S100A8 in space group P212121 | x-ray diffraction | A, B, C, D, E, F, G, H | CA, ZN, CL | — |
| 5HLV | Crystal structure of calcium and zinc-bound human S100A8 in space group P212121 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 5W1F | Crystal structure of Ni(II)- and Ca(II)-bound human calprotectin | x-ray diffraction | A, C, G, E | NA, CA, NI | 12 (best 0.83) |
| 5W1F | Crystal structure of NI(II)- and CA(II)-bound human calprotectin | x-ray diffraction | A, C, G, E | NA, CA, NI | — |
| 6DS2 | Crystal structure of Ni(II)-bound human calprotectin | x-ray diffraction | A, C, E, G | NA, NI | 11 (best 0.83) |
| 6DS2 | Crystal structure of NI(II)-bound human calprotectin | x-ray diffraction | A, C, E, G | NA, NI | — |
| 7QUV | Crystal structure of human Calprotectin (S100A8/S100A9) in complex with Peptide 3 | x-ray diffraction | A | NI, CA, NA, K | 1 (best 0.42) |
| 8SJB | Crystal structure of Zn2+ bound calprotectin variant H87C | x-ray diffraction | A, B | CA, ZN | 3 (best 0.75) |
| 8SJC | Crystal structure of Zn2+ bound calprotectin | x-ray diffraction | A, B | CA, MG, ZN | 3 (best 0.82) |
| P05109 | AlphaFold monomer V2.0 prediction for protein S100-A8 (P05109) | predicted | A | — | — |
Ligands
Experiment against prediction
- 5HLV chain E against the predicted model P05109: TM-score 0.94, RMSD 1.20 Å
- 5HLV chain E against the predicted model P05109: TM-score 0.94, RMSD 1.20 Å
- 5HLV chain C against the predicted model P05109: TM-score 0.93, RMSD 1.21 Å
- 5HLV chain C against the predicted model P05109: TM-score 0.93, RMSD 1.21 Å
- 5HLV chain G against the predicted model P05109: TM-score 0.93, RMSD 1.28 Å
- 5HLV chain G against the predicted model P05109: TM-score 0.93, RMSD 1.28 Å
- 5HLV chain A against the predicted model P05109: TM-score 0.93, RMSD 1.28 Å
- 5HLV chain A against the predicted model P05109: TM-score 0.93, RMSD 1.28 Å
- 5HLO chain A against the predicted model P05109: TM-score 0.93, RMSD 1.29 Å
- 5HLO chain A against the predicted model P05109: TM-score 0.93, RMSD 1.29 Å
Elsewhere
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