MolNFT v1 · #88395 · protein

X-ray structure of an engineered ompg LOOP6-deletion

4CTD · Outer membrane protein G: “X-ray structure of an engineered ompg LOOP6-deletion”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.64). MolNFT v1 #88395 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4CTD
Type: protein
Length: 465 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Outer membrane protein G
UniProt: P76045
Ligands: CL
Pockets: 4 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 74% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Outer membrane protein G	protein	234	0% helix, 74% strand	P76045
B	Outer membrane protein G	protein	231	0% helix, 74% strand	P76045

Ligands and binding sites

CL · Chloride ion · ion · 12 copies · chains A, B
C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 4 copies · chains A, 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	417	0.64	0.77	33	C8E
2	804	0.63	0.72	85	CL
3	647	0.61	0.73	63	CL
4	292	0.53	0.74	35	empty

Interfaces

1 interface between chains.

A–B · 716 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4CTD · X-ray structure of an engineered OmpG loop6-deletion · the same entry in another collection · chain A against A, TM-score 1.00
P76045 · AlphaFold monomer V2.0 prediction for outer membrane porin G (P76045) · a predicted model of the same protein · chain B against A, TM-score 0.95

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 P76045
Elsewhere: RCSB PDB 4CTD · PDBe 4CTD · UniProt P76045

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