MolNFT v1 · #88174 · protein

Crystal structure of RV3378C

4CMV · Diterpene synthase: “Crystal structure of RV3378C”. X-ray diffraction, 1 ligand (HG), 4 pockets (best druggability 0.85). MolNFT v1 #88174 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4CMV
Type: protein
Length: 570 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Diterpene synthase
EC: 3.1.7.9, 3.1.7.8
UniProt: O50407
Ligands: HG
Pockets: 4 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 49% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Diterpene synthase (EC 3.1.7.9, 3.1.7.8)	protein	285	50% helix, 15% strand	O50407
B	Diterpene synthase (EC 3.1.7.9, 3.1.7.8)	protein	285	49% helix, 14% strand	O50407

Ligands and binding sites

HG · Mercury (II) ion · metal · 12 copies · chains A, B
CIT · Citric acid · additive · 3 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	719	0.85	0.88	90	CIT
2	527	0.78	0.85	63	CIT
3	182	0.44	0.74	29	empty
4	153	0.42	0.74	27	empty

Interfaces

1 interface between chains.

A–B · 3568 Å² buried · 49 hydrogen bonds · protein-protein

Compared structures

4CMV · Crystal structure of Rv3378c · 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 O50407
Elsewhere: RCSB PDB 4CMV · PDBe 4CMV · UniProt O50407

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.