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Crystal structure of ompf porin soaked in ciprofloxacin metaloantibiotic

Analyse Crystal structure of ompf porin soaked in ciprofloxacin metaloantibiotic in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6ZHP
Type: protein
Length: 341 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Outer membrane porin F
UniProt: P02931
Ligands: QLB, MG, NA
Pockets: 2 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 61% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Outer membrane porin F	protein	341	5% helix, 61% strand	P02931

Ligands and binding sites

QLB · 2-[2-(2-octoxyethoxy)ethoxy]ethanol · ligand · 2 copies · chains B
MG · Magnesium ion · metal · chains B
NA · Sodium ion · metal · chains B

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

Pockets

2 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	921	0.69	0.74	61	empty
2	334	0.52	0.73	48	empty

Compared structures

6ZHP · Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic · the same entry in another collection · chain B against B, TM-score 1.00
P02931 · AlphaFold monomer V2.0 prediction for outer membrane porin F (P02931) · a predicted model of the same protein · chain B 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 P02931
Elsewhere: RCSB PDB 6ZHP · PDBe 6ZHP · UniProt P02931

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