MolNFT v1 · #30667 · protein

The crystal structure of transcriptional regulator TM0710 from thermotoga maritima

2A61: “The crystal structure of transcriptional regulator TM0710 from thermotoga maritima”. X-ray diffraction, 2 pockets (best druggability 0.87). MolNFT v1 #30667 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2A61
Type: protein
Length: 558 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator TM0710
Pockets: 2 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 74% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Transcriptional regulator TM0710	protein	142	73% helix, 11% strand	—
B, D	Transcriptional regulator TM0710	protein	137	76% helix, 8% strand	—

Pockets

2 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	1148	0.87	0.88	130	empty
2	54	0.39	0.81	15	empty

Interfaces

5 interfaces between chains.

A–B · 3134 Å² buried · 23 hydrogen bonds · protein-protein
C–D · 3126 Å² buried · 28 hydrogen bonds · protein-protein
B–D · 337 Å² buried · 0 hydrogen bonds · protein-protein
A–D · 60 Å² buried · 1 hydrogen bond · protein-protein
B–C · 58 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

2A61 · The crystal structure of transcriptional regulator Tm0710 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
Elsewhere: RCSB PDB 2A61 · PDBe 2A61

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