MolNFT v1 · #112772 · protein

Crystal structure of ggdef domain of the E. COLI dosc - form III

4ZVG · Diguanylate cyclase dosc: “Crystal structure of ggdef domain of the E. COLI dosc - form III”. X-ray diffraction, 2 pockets (best druggability 0.69). MolNFT v1 #112772 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4ZVG
Type: protein
Length: 329 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Diguanylate cyclase dosc
EC: 2.7.7.65
UniProt: P0AA89
Pockets: 2 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Diguanylate cyclase dosc (EC 2.7.7.65)	protein	165	48% helix, 21% strand	P0AA89
B	Diguanylate cyclase dosc (EC 2.7.7.65)	protein	164	48% helix, 21% strand	P0AA89

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	58	0.69	0.97	19	empty
2	68	0.29	0.74	17	empty

Interfaces

1 interface between chains.

A–B · 726 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

4ZVG · Crystal structure of GGDEF domain of the E. coli DosC - form III · the same entry in another collection · chain A against A, TM-score 1.00
P0AA89 · AlphaFold monomer V2.0 prediction for diguanylate cyclase dosc (P0AA89) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P0AA89
Elsewhere: RCSB PDB 4ZVG · PDBe 4ZVG · UniProt P0AA89

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