Research workbench
Crystal structure of E84Q mutant of cntl in complex with SAM
Analyse Crystal structure of E84Q mutant of cntl in complex with SAM in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7C9K
- Type
- protein
- Length
- 461 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- D-histidine 2-aminobutanoyltransferase
- EC
- 2.5.1.152
- UniProt
- A0A0H3JXA8
- Ligands
- SAM, CA
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | D-histidine 2-aminobutanoyltransferase (EC 2.5.1.152) | protein | 228 | 49% helix, 16% strand | A0A0H3JXA8 |
| B | D-histidine 2-aminobutanoyltransferase (EC 2.5.1.152) | protein | 233 | 50% helix, 15% strand | A0A0H3JXA8 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 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 | 871 | 0.76 | 0.79 | 86 | SAM |
| 2 | 482 | 0.70 | 0.80 | 49 | SAM |
| 3 | 50 | 0.29 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 616 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7C9K · Crystal Structure of E84Q mutant of CntL in complex with SAM · 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 A0A0H3JXA8
- Elsewhere: RCSB PDB 7C9K · PDBe 7C9K · UniProt A0A0H3JXA8
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