MolNFT v1 · #53321 · protein

Double-disulfide cross-linked crystal dimer of the listeria monocytogenes inlb internalin domain

2WQW · Internalin B: “Double-disulfide cross-linked crystal dimer of the listeria monocytogenes inlb internalin domain”. X-ray diffraction, 3 pockets (best druggability 0.68). MolNFT v1 #53321 on GenesisL1: 3D structure, binding sites and…

PDB: 2WQW
Type: protein
Length: 572 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Internalin B
UniProt: P25147
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Internalin B	protein	286	17% helix, 27% strand	P25147

Ligands and binding sites

PEG · Di(hydroxyethyl)ether · additive · 9 copies · chains A, B

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	463	0.68	0.80	59	PEG
2	90	0.41	0.78	16	empty
3	51	0.26	0.74	11	empty

Interfaces

1 interface between chains.

A–B · 1015 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

2WQW · DOUBLE-DISULFIDE CROSS-LINKED CRYSTAL DIMER of the Listeria monocytogenes InlB internalin… · 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 P25147
Elsewhere: RCSB PDB 2WQW · PDBe 2WQW · UniProt P25147

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