MolNFT v1 · #33743 · protein
Crystallographic refinement and atomic models of two different forms of citrate synthase at 2.7 and 1.7 ångströms resolution
2CTS: “Crystallographic refinement and atomic models of two different forms of citrate synthase at 2.7 and 1.7…”. X-ray diffraction, 1 ligand (COA), 4 pockets (best druggability 0.67). MolNFT v1 #33743 on GenesisL1: 3D structure, binding…
- PDB
- 2CTS
- Type
- protein
- Length
- 437 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Citrate synthase
- EC
- 4.1.3.7
- UniProt
- P00889
- Ligands
- COA
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 62% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Citrate synthase (EC 4.1.3.7) | protein | 437 | 62% helix, 3% strand | P00889 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 552 | 0.67 | 0.77 | 60 | COA, CIT |
| 2 | 142 | 0.43 | 0.75 | 24 | empty |
| 3 | 86 | 0.38 | 0.77 | 17 | empty |
| 4 | 61 | 0.31 | 0.75 | 17 | empty |
Compared structures
- 2CTS · Crystallographic refinement and atomic models of two different forms of citrate synthase… · the same entry in another collection · chain A against A, TM-score 1.00
- P00889 · AlphaFold monomer V2.0 prediction for citrate synthase, mitochondrial (P00889) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P00889
- Elsewhere: RCSB PDB 2CTS · PDBe 2CTS · UniProt P00889
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