MolNFT v1 · #153497 · protein

Crystal structure of aimr in complex with arbitrium peptide

6JG9 · Aimr transcriptional regulator: “Crystal structure of aimr in complex with arbitrium peptide”. X-ray diffraction, 5 pockets (best druggability 0.65). MolNFT v1 #153497 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6JG9
Type: protein
Length: 791 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aimr transcriptional regulator; Arbitrium peptide
UniProt: O64094
Pockets: 5 · best druggability 0.65

Structure

x-ray diffraction · 3 distinct chains · 72% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aimr transcriptional regulator	protein	389	72% helix, 0% strand	O64094
C, D	Arbitrium peptide	protein	6	0% helix, 0% strand	—
B	Aimr transcriptional regulator	protein	390	72% helix, 0% strand	O64094

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	431	0.65	0.78	40	empty
2	466	0.65	0.78	42	empty
3	100	0.36	0.74	20	empty
4	63	0.36	0.78	13	empty
5	82	0.32	0.74	17	empty

Interfaces

3 interfaces between chains.

A–B · 854 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 579 Å² buried · 14 hydrogen bonds · protein-protein
B–D · 578 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

6JG9 · Crystal structure of AimR in complex with arbitrium peptide · 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 O64094
Elsewhere: RCSB PDB 6JG9 · PDBe 6JG9 · UniProt O64094

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