Research workbench
PCNA bound to peptide mimetic
Analyse PCNA bound to peptide mimetic in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KQ0
- Type
- protein
- Length
- 807 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proliferating cell nuclear antigen; Lys-arg-arg-gln-thr-ser-met-thr-asp-tyr-tyr-his-ser-ly…
- UniProt
- P12004
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 6 distinct chains · 20% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proliferating cell nuclear antigen | protein | 257 | 19% helix, 47% strand | P12004 |
| B | Lys-arg-arg-gln-thr-ser-met-thr-asp-tyr-tyr-his-ser-lys- arg | protein | 13 | 23% helix, 23% strand | — |
| C | Proliferating cell nuclear antigen | protein | 255 | 20% helix, 45% strand | P12004 |
| D | Lys-arg-arg-gln-thr-ser-met-thr-asp-tyr-tyr-his-ser-lys- arg | protein | 14 | 21% helix, 21% strand | — |
| E | Proliferating cell nuclear antigen | protein | 255 | 20% helix, 45% strand | P12004 |
| F | Lys-arg-arg-gln-thr-ser-met-thr-asp-tyr-tyr-his-ser-lys- arg | protein | 13 | 23% helix, 8% strand | — |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 773 | 0.67 | 0.75 | 79 | empty |
| 2 | 442 | 0.65 | 0.78 | 52 | empty |
| 3 | 142 | 0.42 | 0.75 | 20 | empty |
| 4 | 134 | 0.39 | 0.74 | 23 | empty |
Interfaces
8 interfaces between chains.
- A–B · 764 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 743 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 735 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 245 Ų buried · 8 hydrogen bonds · protein-protein
- A–F · 243 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7KQ0 · PCNA bound to peptide mimetic · 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 P12004
- Elsewhere: RCSB PDB 7KQ0 · PDBe 7KQ0 · UniProt P12004
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