UniProt Q51817
Lys-gingipain W83 (Q51817)
Lys-gingipain W83 (UniProt Q51817), EC 3.4.22.47: 10 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 12 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q51817
- Protein
- Lys-gingipain W83
- EC
- 3.4.22.47
- Experimental structures
- 10
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 12 · 2 records with a druggable one
Structures
11 records of Q51817 in the MolNFT archive: 10 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4ITC | Crystal Structure Analysis of the K1 Cleaved Adhesin domain of Lys-gingipain (Kgp) from… | x-ray diffraction | A | — | — |
| 4ITC | Crystal structure analysis of the K1 cleaved adhesin domain of lys- gingipain (kgp) from… | x-ray diffraction | A | — | — |
| 4RBM | Porphyromonas gingivalis gingipain K (Kgp) catalytic and immunoglobulin superfamily-like domains | x-ray diffraction | A | — | — |
| 4RBM | Porphyromonas gingivalis gingipain K (kgp) catalytic and immunoglobulin superfamily-like domains | x-ray diffraction | A | — | — |
| 4TKX | Structure of Protease | x-ray diffraction | L | — | — |
| 4TKX | Structure of protease | x-ray diffraction | L | — | — |
| 5MUN | Structural insight into zymogenic latency of gingipain K from Porphyromonas gingivalis. | x-ray diffraction | A, B | AZI | 5 (best 0.73) |
| 5MUN | Structural insight into zymogenic latency of gingipain K from porphyromonas gingivalis. | x-ray diffraction | A, B | AZI | — |
| 6I9A | Porphyromonas gingivalis gingipain K (Kgp) in complex with inhibitor KYT-36 | x-ray diffraction | A, B | UNX, NA, CA, H8E, DTV | 7 (best 0.73) |
| 6I9A | Porphyromonas gingivalis gingipain K (kgp) in complex with inhibitor kyt-36 | x-ray diffraction | A, B | UNX, NA, CA, DTV | — |
| Q51817 | AlphaFold monomer V2.0 prediction for lys-gingipain W83 (Q51817) | predicted | A | — | — |
Ligands
- AZI · Azide ion · in 2 records
- CA · Calcium ion · in 2 records
- DTV · (2S,3S)-1,4-dimercaptobutane-2,3-diol · in 2 records
- NA · Sodium ion · in 2 records
- UNX · Unknown atom or ion · in 2 records
- H8E · benzyl-N-[(2S)-1-[[(3S)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate · in 1 record
Experiment against prediction
- 6I9A chain B against the predicted model Q51817: TM-score 0.98, RMSD 1.55 Å
- 6I9A chain A against the predicted model Q51817: TM-score 0.98, RMSD 1.56 Å
- 4RBM chain A against the predicted model Q51817: TM-score 0.98, RMSD 1.63 Å
- 6I9A chain A against the predicted model Q51817: TM-score 0.97, RMSD 1.56 Å
- 4TKX chain L against the predicted model Q51817: TM-score 0.97, RMSD 1.56 Å
- 4TKX chain L against the predicted model Q51817: TM-score 0.97, RMSD 1.56 Å
- 4RBM chain A against the predicted model Q51817: TM-score 0.97, RMSD 1.63 Å
- 4ITC chain A against the predicted model Q51817: TM-score 0.95, RMSD 1.10 Å
- 4ITC chain A against the predicted model Q51817: TM-score 0.95, RMSD 1.10 Å
- 5MUN chain B against the predicted model Q51817: TM-score 0.94, RMSD 1.48 Å
Elsewhere
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