MolNFT v1 · #157526 · protein
The crystal structure of caldicellulosiruptor hydrothermalis tapirin C-terminal domain
6N2C: “The crystal structure of caldicellulosiruptor hydrothermalis tapirin C-terminal domain”. X-ray diffraction, 4 ligands (GOA, OXL, ZN), 3 pockets (best druggability 0.69). MolNFT v1 #157526 on GenesisL1: 3D structure, binding sites…
- PDB
- 6N2C
- Type
- protein
- Length
- 817 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tapirin
- UniProt
- E4Q7C4
- Ligands
- GOA, OXL, ZN, CL
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tapirin | protein | 409 | 10% helix, 43% strand | E4Q7C4 |
| B | Tapirin | protein | 408 | 10% helix, 43% strand | E4Q7C4 |
Ligands and binding sites
- GOA · Glycolic acid · ligand · chains B
- OXL · Oxalate ion · ligand · chains B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · chains B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 752 | 0.69 | 0.76 | 85 | empty |
| 2 | 150 | 0.53 | 0.81 | 32 | empty |
| 3 | 74 | 0.41 | 0.80 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 675 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6N2C · The Crystal Structure of Caldicellulosiruptor hydrothermalis Tapirin C-terminal domain · 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 E4Q7C4
- Elsewhere: RCSB PDB 6N2C · PDBe 6N2C · UniProt E4Q7C4
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