MolNFT v1 · #152494 · protein

Crystal structure of the type VI amidase immunity (TAI4) from agrobacterium tumefaciens

6IJE: “Crystal structure of the type VI amidase immunity (TAI4) from agrobacterium tumefaciens”. X-ray diffraction, 2 pockets (best druggability 0.38). MolNFT v1 #152494 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6IJE
Type: protein
Length: 200 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TAI4
UniProt: A0A083ZID3
Pockets: 2 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	TAI4	protein	100	60% helix, 4% strand	A0A083ZID3
A	TAI4	protein	100	60% helix, 4% strand	A0A083ZID3

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 7 copies · chains B, A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	86	0.38	0.76	20	EDO
2	83	0.36	0.76	22	EDO

Interfaces

1 interface between chains.

B–A · 1101 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6IJE · Crystal structure of the type VI amidase immunity (Tai4) from Agrobacterium tumefaciens · the same entry in another collection · chain B against B, 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 A0A083ZID3
Elsewhere: RCSB PDB 6IJE · PDBe 6IJE · UniProt A0A083ZID3

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