MolNFT v1 · #59031 · protein

Crystal structure of the catalytic domain of licms in complexed with malonate

3BLE · Citramalate synthase from leptospira interrogans: “Crystal structure of the catalytic domain of licms in complexed with malonate”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.46). MolNFT v1 #59031 on GenesisL1…

PDB: 3BLE
Type: protein
Length: 307 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Citramalate synthase from leptospira interrogans
EC: 2.3.3.13
UniProt: Q8F3Q1
Ligands: ZN
Pockets: 2 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Citramalate synthase from leptospira interrogans (EC 2.3.3.13)	protein	307	48% helix, 15% strand	Q8F3Q1

Ligands and binding sites

ZN · Zinc ion · metal · chains A
MLI · Malonate ion · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	87	0.46	0.81	15	ZN, MLI
2	98	0.38	0.76	28	empty

Compared structures

3BLE · Crystal structure of the catalytic domain of LiCMS in complexed with malonate · the same entry in another collection · chain A against A, TM-score 1.00
Q8F3Q1 · AlphaFold monomer V2.0 prediction for (R)-citramalate synthase cima (Q8F3Q1) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q8F3Q1
Elsewhere: RCSB PDB 3BLE · PDBe 3BLE · UniProt Q8F3Q1

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