MolNFT v1 · #88030 · protein
Structure of rolling circle replication initiator protein from geobacillus stearothermophilus.
4CIJ · GST rep: “Structure of rolling circle replication initiator protein from geobacillus stearothermophilus.”. X-ray diffraction, 11 pockets (best druggability 0.54). MolNFT v1 #88030 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4CIJ
- Type
- protein
- Length
- 1,068 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GST rep
- EC
- 5.99.1.2
- Pockets
- 11 · best druggability 0.54
Structure
x-ray diffraction · 4 distinct chains · 31% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GST rep (EC 5.99.1.2) | protein | 267 | 31% helix, 32% strand | — |
| B | GST rep (EC 5.99.1.2) | protein | 268 | 31% helix, 32% strand | — |
| C | GST rep (EC 5.99.1.2) | protein | 265 | 31% helix, 32% strand | — |
| D | GST rep (EC 5.99.1.2) | protein | 268 | 31% helix, 32% strand | — |
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.54 | 0.88 | 15 | empty |
| 2 | 369 | 0.54 | 0.74 | 47 | empty |
| 3 | 275 | 0.50 | 0.74 | 41 | empty |
| 4 | 246 | 0.49 | 0.74 | 46 | empty |
| 5 | 130 | 0.40 | 0.75 | 24 | empty |
Interfaces
4 interfaces between chains.
- A–C · 1518 Ų buried · 28 hydrogen bonds · protein-protein
- B–D · 1502 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 144 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 50 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4CIJ · Structure of Rolling Circle Replication Initiator Protein from Geobacillus… · 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
- Elsewhere: RCSB PDB 4CIJ · PDBe 4CIJ
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