MolNFT v1 · #124175 · protein

Crystal structure of apo aibr

5K7F · Transcriptional regulator, tetr family: “Crystal structure of apo aibr”. X-ray diffraction, 4 pockets (best druggability 0.66). MolNFT v1 #124175 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5K7F
Type: protein
Length: 357 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator, tetr family
UniProt: Q1D4I5
Pockets: 4 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator, tetr family	protein	179	74% helix, 0% strand	Q1D4I5
B	Transcriptional regulator, tetr family	protein	178	75% helix, 0% strand	Q1D4I5

Ligands and binding sites

ACT · Acetate ion · additive · chains B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	378	0.66	0.79	39	empty
2	114	0.64	0.88	27	empty
3	189	0.53	0.78	23	empty
4	93	0.33	0.73	13	empty

Interfaces

1 interface between chains.

A–B · 1261 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

5K7F · Crystal structure of apo AibR · 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 Q1D4I5
Elsewhere: RCSB PDB 5K7F · PDBe 5K7F · UniProt Q1D4I5

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