MolNFT v1 · #12438 · protein

Crystal structure at 1.50 a of an OMPR/PHOB homolog from thermotoga maritima

1KGS · DNA binding response regulator D: “Crystal structure at 1.50 a of an OMPR/PHOB homolog from thermotoga maritima”. X-ray diffraction, 1 ligand (SCN), 1 pocket (best druggability 0.41). MolNFT v1 #12438 on GenesisL1: 3D structure…

PDB: 1KGS
Type: protein
Length: 219 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA binding response regulator D
UniProt: Q9WYN0
Ligands: SCN
Pockets: 1 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA binding response regulator D	protein	219	42% helix, 22% strand	Q9WYN0

Ligands and binding sites

SCN · Thiocyanate ion · ion · 6 copies · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	110	0.41	0.76	18	empty

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

1KGS · Crystal Structure at 1.50 A of an OmpR/PhoB Homolog from Thermotoga maritima · 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 Q9WYN0
Elsewhere: RCSB PDB 1KGS · PDBe 1KGS · UniProt Q9WYN0

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