6I9A
Porphyromonas gingivalis gingipain K (Kgp) in complex with inhibitor KYT-36
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Lys-gingipain W83 | polymer | 461 | 51012.8 | 2 | UniProt (Q51817) Pfam (PF01364) Pfam (PF03785) | Porphyromonas gingivalis | Lysine specific cysteine protease,Lysine-specific cysteine proteinase,Porphypain,PrtK48 |
| 2 | C, D, N, O (A, B) | UNKNOWN ATOM OR ION | non-polymer | 23.0 | 4 | Chemie (UNX) | |||
| 3 | E, F, P, Q (A, B) | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
| 4 | G, H, R, S (A, B) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 5 | I, T (A, B) | 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 | non-polymer | 630.7 | 2 | Chemie (H8E) | |||
| 6 | J, U (A, B) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) | |||
| 7 | K, L, M, W, X... (A, B) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 8 | V (B) | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL | non-polymer | 154.3 | 1 | Chemie (DTV) | |||
| 9 | AA, Z (B, A) | water | water | 18.0 | 1580 | Chemie (HOH) |
Sequence modifications
A, B: 229 - 683 (UniProt: Q51817)
| PDB | External Database | Details |
|---|---|---|
| His 684 | - | expression tag |
| His 685 | - | expression tag |
| His 686 | - | expression tag |
| His 687 | - | expression tag |
| His 688 | - | expression tag |
| His 689 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 102025.6 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2789.1 | |
| All* | Total formula weight | 104814.7 |
