MolNFT v1 · #184261 · protein

Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 3

7OK1: “Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 3”. X-ray diffraction, 2 ligands (VFN, CL). MolNFT v1 #184261 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7OK1
Type: protein
Length: 765 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: A6V1E4
Ligands: VFN, CL

Structure

x-ray diffraction · 3 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	258	—	A6V1E4
B	—	protein	254	—	A6V1E4
C	—	protein	253	—	A6V1E4

Ligands and binding sites

VFN · ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl) methyl]ethanamide · ligand · 3 copies · chains A, B, C
CL · Chloride ion · ion · 6 copies · chains A, B, C

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

Compared structures

7OK1 · Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 · the same entry in another collection · chain B against B, TM-score 1.00
A6V1E4 · AlphaFold monomer V2.0 prediction for acyl-[acyl-carrier… · a predicted model of the same protein · chain C against A, TM-score 0.99

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 A6V1E4
Elsewhere: RCSB PDB 7OK1 · PDBe 7OK1 · UniProt A6V1E4

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