MolNFT v1 · #96666 · protein + DNA
Crystal structure of the restriction-modification controller protein C.CSP231I ol operator complex
4JQD · CSP231I C protein: “Crystal structure of the restriction-modification controller protein C.CSP231I ol operator complex”. X-ray diffraction, 4 pockets (best druggability 0.79). MolNFT v1 #96666 on GenesisL1: 3D structure, binding…
- PDB
- 4JQD
- Type
- protein + DNA
- Length
- 462 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CSP231I C protein; DNA (5'- D(*AP*CP*AP*CP*TP*AP*AP*GP*GP*AP*AP*AP*AP*CP*TP*TP*AP*GP*TP*AP…
- UniProt
- Q32WH4
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 5 distinct chains · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | CSP231I C protein | protein | 94 | 71% helix, 0% strand | Q32WH4 |
| C, G | DNA (5'- D(*AP*CP*AP*CP*TP*AP*AP*GP*GP*AP*AP*AP*AP*CP*TP*TP*AP*GP*TP*AP*A)- 3') | dna | 21 | — | — |
| D, H | DNA (5'- D(*TP*TP*AP*CP*TP*AP*AP*GP*TP*TP*TP*TP*CP*CP*TP*TP*AP*GP*TP*GP*T)- 3') | dna | 21 | — | — |
| E | CSP231I C protein | protein | 97 | 67% helix, 0% strand | Q32WH4 |
| F | CSP231I C protein | protein | 93 | 71% helix, 0% strand | Q32WH4 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1015 | 0.79 | 0.81 | 86 | empty |
| 2 | 208 | 0.60 | 0.82 | 28 | empty |
| 3 | 106 | 0.54 | 0.82 | 18 | empty |
| 4 | 80 | 0.45 | 0.81 | 17 | empty |
Interfaces
17 interfaces between chains.
- E–F · 1227 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 1076 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 937 Ų buried · 81 hydrogen bonds · nucleic-nucleic
- G–H · 934 Ų buried · 81 hydrogen bonds · nucleic-nucleic
- C–F · 395 Ų buried · 7 hydrogen bonds · protein-nucleic
Compared structures
- 4JQD · Crystal structure of the Restriction-Modification Controller Protein C.Csp231I OL… · 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 Q32WH4
- Elsewhere: RCSB PDB 4JQD · PDBe 4JQD · UniProt Q32WH4
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