MolNFT v1 · #143754 · protein

1.9 ångström resolution crystal structure of CUPIN_2 domain (pfam 07883) of xre family transcriptional regulator from enterobacter cloacae.

6B8W: “1.9 ångström resolution crystal structure of CUPIN_2 domain (pfam 07883) of xre family transcriptional…”. X-ray diffraction, 2 ligands (MN, SCN), 2 pockets (best druggability 0.42). MolNFT v1 #143754 on GenesisL1: 3D structure…

PDB: 6B8W
Type: protein
Length: 190 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Xre family transcriptional regulator
UniProt: A0A0H3CJW2
Ligands: MN, SCN
Pockets: 2 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 55% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Xre family transcriptional regulator	protein	95	0% helix, 55% strand	A0A0H3CJW2

Ligands and binding sites

MN · Manganese (II) ion · metal · chains B
SCN · Thiocyanate ion · ion · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	77	0.42	0.80	19	empty
2	77	0.34	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 920 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

6B8W · 1.9 Angstrom Resolution Crystal Structure of Cupin_2 Domain (pfam 07883) of XRE Family… · 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 A0A0H3CJW2
Elsewhere: RCSB PDB 6B8W · PDBe 6B8W · UniProt A0A0H3CJW2

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