MolNFT v1 · #33926 · protein

Crystal structure of mqnd (TTHA1568), a menaquinone biosynthetic enzyme from thermus thermophilus HB8 (CYS11 modified with beta- mercaptoethanol)

2CZL · Hypothetical protein TTHA1568: “Crystal structure of mqnd (TTHA1568), a menaquinone biosynthetic enzyme from thermus thermophilus HB8 (CYS11…”. X-ray diffraction, 1 ligand (K), 3 pockets (best druggability 0.76). MolNFT v1 #33926 on…

PDB: 2CZL
Type: protein
Length: 270 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein TTHA1568
Ligands: K
Pockets: 3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hypothetical protein TTHA1568	protein	270	46% helix, 19% strand	—

Ligands and binding sites

K · Potassium ion · metal · chains A
TLA · L(+)-tartaric acid · additive · chains A
XPE · 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol · additive · 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	74	0.76	0.99	19	TLA
2	63	0.41	0.80	16	empty
3	57	0.29	0.75	17	empty

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

2CZL · Crystal structure of MqnD (TTHA1568), a menaqui biosynthetic enzyme from Thermus… · 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
Elsewhere: RCSB PDB 2CZL · PDBe 2CZL

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