MolNFT v1 · #27525 · protein

Structure of a transcriptional regulator from clostridium thermocellum cth-833

1XMA · Predicted transcriptional regulator: “Structure of a transcriptional regulator from clostridium thermocellum cth-833”. X-ray diffraction, 2 ligands (HG, UNX), 1 pocket (best druggability 0.30). MolNFT v1 #27525 on GenesisL1: 3D…

PDB: 1XMA
Type: protein
Length: 204 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Predicted transcriptional regulator
Ligands: HG, UNX
Pockets: 1 · best druggability 0.30

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Predicted transcriptional regulator	protein	101	60% helix, 17% strand	—
B	Predicted transcriptional regulator	protein	103	64% helix, 12% strand	—

Ligands and binding sites

HG · Mercury (II) ion · metal · 4 copies · chains A, B
UNX · Unknown atom or ion · ion · 13 copies · chains A, B

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	67	0.30	0.73	12	empty

Interfaces

1 interface between chains.

A–B · 480 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

1XMA · Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 · 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
Elsewhere: RCSB PDB 1XMA · PDBe 1XMA

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