MolNFT v1 · #36469 · protein

Crystal structure of amidohydrorolase II; northeast structural genomics target LPR24

2F6K · Metal-dependent hydrolase: “Crystal structure of amidohydrorolase II; northeast structural genomics target LPR24”. X-ray diffraction, 1 ligand (MN), 3 pockets (best druggability 0.80). MolNFT v1 #36469 on GenesisL1: 3D structure…

PDB: 2F6K
Type: protein
Length: 612 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Metal-dependent hydrolase
EC: 4.1.1.45
Ligands: MN
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Metal-dependent hydrolase (EC 4.1.1.45)	protein	306	51% helix, 14% strand	—

Ligands and binding sites

MN · Manganese (II) ion · metal · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	960	0.80	0.81	66	empty
2	152	0.58	0.82	31	empty
3	160	0.57	0.81	29	empty

Interfaces

1 interface between chains.

A–B · 533 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

2F6K · Crystal Structure of Amidohydrorolase II; Northeast Structural Genomics Target LpR24 · 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
Elsewhere: RCSB PDB 2F6K · PDBe 2F6K

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