MolNFT v1 · #136660 · protein
Crystal structure of the competence damage-inducible protein a (coma) from klebsiella pneumoniae subsp. pneumoniae mgh 78578
5V01: “Crystal structure of the competence damage-inducible protein a (coma) from klebsiella pneumoniae subsp.…”. X-ray diffraction, 3 ligands (CSO, NA, CL), 1 pocket (best druggability 0.67). MolNFT v1 #136660 on GenesisL1: 3D structure…
- PDB
- 5V01
- Type
- protein
- Length
- 329 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Competence damage-inducible protein a
- UniProt
- A6T8V7
- Ligands
- CSO, NA, CL
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Competence damage-inducible protein a | protein | 168 | 45% helix, 21% strand | A6T8V7 |
| B | Competence damage-inducible protein a | protein | 161 | 47% helix, 22% strand | A6T8V7 |
Ligands and binding sites
- CSO · S-hydroxycysteine · ligand · chains B
- NA · Sodium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 616 | 0.67 | 0.76 | 81 | CL |
Interfaces
1 interface between chains.
- A–B · 887 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 covalent (covalent ligand).
Compared structures
- 5V01 · Crystal structure of the competence damage-inducible protein A (ComA) from Klebsiella… · 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 A6T8V7
- Elsewhere: RCSB PDB 5V01 · PDBe 5V01 · UniProt A6T8V7
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