MolNFT v1 · #177137 · protein
Crystal structure of type II citrate synthase (hycs) from hymenobacter sp. pamc 26554
7E8N: “Crystal structure of type II citrate synthase (hycs) from hymenobacter sp. pamc 26554”. X-ray diffraction, 15 pockets (best druggability 0.73). MolNFT v1 #177137 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7E8N
- Type
- protein
- Length
- 1,280 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Citrate synthase
- UniProt
- A0A142HAE2
- Pockets
- 15 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Citrate synthase | protein | 428 | 56% helix, 11% strand | A0A142HAE2 |
| B | Citrate synthase | protein | 424 | 54% helix, 7% strand | A0A142HAE2 |
| C | Citrate synthase | protein | 428 | 53% helix, 11% strand | A0A142HAE2 |
Ligands and binding sites
- CIT · Citric acid · additive · 3 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.73 | 0.97 | 22 | empty |
| 2 | 1149 | 0.72 | 0.76 | 81 | CIT |
| 3 | 367 | 0.67 | 0.81 | 61 | CIT |
| 4 | 325 | 0.65 | 0.80 | 39 | CIT |
| 5 | 263 | 0.58 | 0.79 | 48 | empty |
Interfaces
2 interfaces between chains.
- A–C · 6189 Ų buried · 95 hydrogen bonds · protein-protein
- B–C · 537 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 7E8N · Crystal structure of Type II citrate synthase (HyCS) from Hymenobacter sp. PAMC 26554 · 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 A0A142HAE2
- Elsewhere: RCSB PDB 7E8N · PDBe 7E8N · UniProt A0A142HAE2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.