MolNFT v1 · #111487 · protein

Crystal structure of ETHE1 from myxococcus xanthus

4YSB · Metallo-beta-lactamase family protein: “Crystal structure of ETHE1 from myxococcus xanthus”. X-ray diffraction, 1 ligand (FE), 5 pockets (best druggability 0.58). MolNFT v1 #111487 on GenesisL1: 3D structure, binding sites and…

PDB: 4YSB
Type: protein
Length: 450 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Metallo-beta-lactamase family protein
UniProt: Q1D4C9
Ligands: FE
Pockets: 5 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Metallo-beta-lactamase family protein	protein	225	26% helix, 29% strand	Q1D4C9

Ligands and binding sites

FE · Fe (III) ion · metal · 2 copies · chains A, B

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

Pockets

5 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	247	0.58	0.79	33	empty
2	184	0.53	0.78	18	empty
3	173	0.52	0.78	29	empty
4	65	0.29	0.74	15	empty
5	55	0.26	0.73	16	empty

Interfaces

1 interface between chains.

A–B · 916 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

4YSB · Crystal structure of ETHE1 from Myxococcus xanthus · 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 Q1D4C9
Elsewhere: RCSB PDB 4YSB · PDBe 4YSB · UniProt Q1D4C9

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