MolNFT v1 · #151838 · protein
Apo structure of tp domain from clinical penicillin-resistant mutant neisseria gonorrhoea strain 6140 penicillin-binding protein 2 (PBP2)
6HZJ · Probable peptidoglycan D,D-transpeptidase pena: “Apo structure of tp domain from clinical penicillin-resistant mutant neisseria gonorrhoea strain 6140…”. X-ray diffraction, 9 pockets (best druggability 0.63). MolNFT v1 #151838 on…
- PDB
- 6HZJ
- Type
- protein
- Length
- 653 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable peptidoglycan D,D-transpeptidase pena
- EC
- 3.4.16.4
- UniProt
- E5KLA8
- Pockets
- 9 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable peptidoglycan D,D-transpeptidase pena (EC 3.4.16.4) | protein | 326 | 36% helix, 21% strand | E5KLA8 |
| B | Probable peptidoglycan D,D-transpeptidase pena (EC 3.4.16.4) | protein | 327 | 36% helix, 22% strand | E5KLA8 |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 361 | 0.63 | 0.78 | 27 | empty |
| 2 | 127 | 0.57 | 0.84 | 23 | empty |
| 3 | 110 | 0.55 | 0.84 | 23 | empty |
| 4 | 270 | 0.53 | 0.75 | 33 | empty |
| 5 | 225 | 0.49 | 0.75 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 908 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 6HZJ · Apo structure of TP domain from clinical penicillin-resistant mutant Neisseria gonorrhoea… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt E5KLA8
- Elsewhere: RCSB PDB 6HZJ · PDBe 6HZJ · UniProt E5KLA8
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