MolNFT v1 · #146571 · protein

Crystal structure of mycobacterium tuberculosis malate synthase in complex with 2-nitro-phenyldiketoacid

6DLJ · Malate synthase G: “Crystal structure of mycobacterium tuberculosis malate synthase in complex with 2-nitro-phenyldiketoacid”. X-ray diffraction, 2 ligands (GXM, MG), 7 pockets (best druggability 0.70). MolNFT v1 #146571 on…

PDB: 6DLJ
Type: protein
Length: 704 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Malate synthase G
EC: 2.3.3.9
UniProt: A0A045ITM4
Ligands: GXM, MG
Pockets: 7 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Malate synthase G (EC 2.3.3.9)	protein	704	47% helix, 17% strand	A0A045ITM4

Ligands and binding sites

GXM · (2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	268	0.70	0.85	51	MG, GXM
2	169	0.56	0.81	25	empty
3	191	0.53	0.78	27	empty
4	192	0.51	0.77	17	empty
5	62	0.47	0.84	20	empty

Compared structures

6DLJ · Crystal structure of Mycobacterium tuberculosis malate synthase in complex with… · 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 A0A045ITM4
Elsewhere: RCSB PDB 6DLJ · PDBe 6DLJ · UniProt A0A045ITM4

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