MolNFT v1 · #113490 · protein

Structure of lipase 1 from pelosinus fermentans

5AH0: “Structure of lipase 1 from pelosinus fermentans”. X-ray diffraction, 2 ligands (ZN, K), 6 pockets (best druggability 0.74). MolNFT v1 #113490 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5AH0
Type: protein
Length: 772 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lipase
UniProt: I8S946
Ligands: ZN, K
Pockets: 6 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lipase	protein	385	34% helix, 15% strand	I8S946
B	Lipase	protein	387	34% helix, 15% strand	I8S946

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
K · Potassium ion · metal · chains B
PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B

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

Pockets

6 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	308	0.74	0.86	39	empty
2	412	0.60	0.76	42	K
3	177	0.48	0.76	24	empty
4	141	0.45	0.76	22	empty
5	77	0.42	0.80	18	empty

Interfaces

1 interface between chains.

A–B · 734 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

5AH0 · Structure of lipase 1 from pelosinus fermentans · 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 I8S946
Elsewhere: RCSB PDB 5AH0 · PDBe 5AH0 · UniProt I8S946

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