MolNFT v1 · #149418 · protein

Lasb, hydroxymate inhibitor complex

6FZX · Keratinase KP2: “Lasb, hydroxymate inhibitor complex”. X-ray diffraction, 4 ligands (EEK, ZN, CA), 2 pockets (best druggability 0.51). MolNFT v1 #149418 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6FZX
Type: protein
Length: 298 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Keratinase KP2
UniProt: E3ULB4
Ligands: EEK, ZN, CA, SO4
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Keratinase KP2	protein	298	41% helix, 16% strand	E3ULB4

Ligands and binding sites

EEK · ~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide · ligand · chains A
ZN · Zinc ion · metal · chains A
CA · Calcium ion · metal · chains A
SO4 · Sulfate ion · ion · chains A
GOL · Glycerol · additive · chains A

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

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	127	0.51	0.80	32	EEK
2	62	0.35	0.77	13	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6FZX · LasB, hydroxymate Inhibitor Complex · 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 E3ULB4
Elsewhere: RCSB PDB 6FZX · PDBe 6FZX · UniProt E3ULB4

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