MolNFT v1 · #154594 · protein
Crystal structure of CADOC0917(R49D)-CACOHA2 complex at pH 8.0
6KGD · Probably cellulosomal scaffolding protein, secreted…: “Crystal structure of CADOC0917(R49D)-CACOHA2 complex at pH 8.0”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.44). MolNFT v1 #154594 on GenesisL1: 3D…
- PDB
- 6KGD
- Type
- protein
- Length
- 203 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probably cellulosomal scaffolding protein, secreted cellulose-binding and cohesin domain…
- UniProt
- Q977Y4, Q97KK2
- Ligands
- CA
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probably cellulosomal scaffolding protein, secreted cellulose-binding and cohesin domain | protein | 146 | 4% helix, 53% strand | Q977Y4 |
| B | And cellulose-binding endoglucanase family 9 cell ortholog dockerin domain | protein | 57 | 47% helix, 0% strand | Q97KK2 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.44 | 0.84 | 18 | empty |
| 2 | 109 | 0.44 | 0.78 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 714 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6KGD · Crystal structure of CaDoc0917(R49D)-CaCohA2 complex at pH 8.0 · 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 Q977Y4
- Every structure of UniProt Q97KK2
- Elsewhere: RCSB PDB 6KGD · PDBe 6KGD · UniProt Q977Y4 · UniProt Q97KK2
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