MolNFT v1 · #79612 · protein

Crystal structure of cerj from streptomyces tendae soaked with cervik

3T8E: “Crystal structure of cerj from streptomyces tendae soaked with cervik”. X-ray diffraction, 6 pockets (best druggability 0.86). MolNFT v1 #79612 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3T8E
Type: protein
Length: 683 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cerj
Pockets: 6 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cerj	protein	342	37% helix, 22% strand	—
B	Cerj	protein	341	38% helix, 22% strand	—

Ligands and binding sites

ACT · Acetate ion · additive · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	892	0.86	0.88	89	empty
2	503	0.76	0.84	45	empty
3	404	0.76	0.85	41	empty
4	105	0.39	0.76	27	empty
5	85	0.35	0.75	26	empty

Interfaces

1 interface between chains.

A–B · 3336 Å² buried · 53 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

3T8E · Crystal structure of CerJ from Streptomyces tendae soaked with CerviK · 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 3T8E · PDBe 3T8E

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