MolNFT v1 · #49501 · protein

Crystal structure of DTXR(D6A C102D) complexed with NICKEL(II)

2QQ9 · Diphtheria toxin repressor: “Crystal structure of DTXR(D6A C102D) complexed with NICKEL(II)”. X-ray diffraction, 2 ligands (NI, PO4), 1 pocket (best druggability 0.58). MolNFT v1 #49501 on GenesisL1: 3D structure, binding sites and…

PDB: 2QQ9
Type: protein
Length: 212 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Diphtheria toxin repressor
UniProt: P33120
Ligands: NI, PO4
Pockets: 1 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Diphtheria toxin repressor	protein	212	52% helix, 15% strand	P33120

Ligands and binding sites

NI · Nickel (II) ion · metal · 2 copies · chains A
PO4 · Phosphate ion · ion · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	438	0.58	0.74	48	empty

Compared structures

2QQ9 · Crystal Structure of DtxR(D6A C102D) Complexed with Nickel(II) · 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 P33120
Elsewhere: RCSB PDB 2QQ9 · PDBe 2QQ9 · UniProt P33120

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