MolNFT v1 · #145632 · protein

Proposed mechanism for the condensation reaction of citrate synthase. 1.9-ångströms structure of the ternary complex with oxaloacetate and carboxymethyl coenzyme a

6CTS: “Proposed mechanism for the condensation reaction of citrate synthase. 1.9-ångströms structure of the ternary…”. X-ray diffraction, 1 ligand (CIC), 3 pockets (best druggability 0.66). MolNFT v1 #145632 on GenesisL1: 3D structure…

PDB: 6CTS
Type: protein
Length: 429 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Citrate synthase
EC: 4.1.3.7
UniProt: P23007
Ligands: CIC
Pockets: 3 · best druggability 0.66

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	429	62% helix, 3% strand	P23007

Ligands and binding sites

CIC · Citryl-thioether-coenzyme *A · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	479	0.66	0.78	52	CIC
2	155	0.43	0.74	18	empty
3	83	0.40	0.78	16	empty

Compared structures

6CTS · Proposed mechanism for the condensation reaction of citrate synthase. 1.9-ångströms… · 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 P23007
Elsewhere: RCSB PDB 6CTS · PDBe 6CTS · UniProt P23007

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