MolNFT v1 · #99194 · protein

Crystal structure of a putative epimerase from burkholderia cenocepacia J2315

4LW8: “Crystal structure of a putative epimerase from burkholderia cenocepacia J2315”. X-ray diffraction, 4 pockets (best druggability 0.71). MolNFT v1 #99194 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4LW8
Type: protein
Length: 606 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative epimerase
UniProt: B4EFL1
Pockets: 4 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative epimerase	protein	303	41% helix, 20% strand	B4EFL1

Ligands and binding sites

EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 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	756	0.71	0.77	69	empty
2	639	0.67	0.76	64	empty
3	75	0.32	0.74	17	empty
4	56	0.27	0.74	14	empty

Interfaces

1 interface between chains.

A–B · 732 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4LW8 · Crystal structure of a putative epimerase from Burkholderia cenocepacia J2315 · 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 B4EFL1
Elsewhere: RCSB PDB 4LW8 · PDBe 4LW8 · UniProt B4EFL1

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