MolNFT v1 · #152529 · protein

K1U complex structure of peptide deformylase from xanthomonas oryzae pv. oryzae

6IKT: “K1U complex structure of peptide deformylase from xanthomonas oryzae pv. oryzae”. X-ray diffraction, 3 ligands (K1U, CD, NI), 1 pocket (best druggability 0.49). MolNFT v1 #152529 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6IKT
Type: protein
Length: 159 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peptide deformylase
EC: 3.5.1.88
UniProt: Q5H3Z2
Ligands: K1U, CD, NI
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peptide deformylase (EC 3.5.1.88)	protein	159	28% helix, 30% strand	Q5H3Z2

Ligands and binding sites

K1U · (3R)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl) sulfanyl]butanoic acid · ligand · chains A
CD · Cadmium ion · metal · 2 copies · chains A
NI · Nickel (II) ion · metal · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	126	0.49	0.79	23	K1U

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

6IKT · K1U complex structure of peptide deformylase from Xanthomonas oryzae pv. oryzae · the same entry in another collection · chain A 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 Q5H3Z2
Elsewhere: RCSB PDB 6IKT · PDBe 6IKT · UniProt Q5H3Z2

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