MolNFT v1 · #31895 · protein

Acetobacter turbidans alpha-amino acid ester hydrolase

2B9V: “Acetobacter turbidans alpha-amino acid ester hydrolase”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #31895 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2B9V
Type: protein
Length: 9,728 residues
Chains: 16
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-amino acid ester hydrolase
EC: 3.1.1.43
UniProt: Q8VRK8
Pockets: 20 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P	Alpha-amino acid ester hydrolase (EC 3.1.1.43)	protein	608	24% helix, 29% strand	Q8VRK8

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1118	0.81	0.83	112	empty
2	924	0.80	0.82	93	empty
3	1184	0.80	0.82	129	empty
4	1004	0.80	0.81	85	empty
5	1072	0.79	0.81	79	empty

Interfaces

31 interfaces between chains.

J–L · 1940 Å² buried · 18 hydrogen bonds · protein-protein
B–D · 1930 Å² buried · 19 hydrogen bonds · protein-protein
E–G · 1905 Å² buried · 21 hydrogen bonds · protein-protein
M–O · 1892 Å² buried · 19 hydrogen bonds · protein-protein
I–K · 1888 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

2B9V · Acetobacter turbidans alpha-amino acid ester hydrolase · the same entry in another collection · chain M against M, 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 Q8VRK8
Elsewhere: RCSB PDB 2B9V · PDBe 2B9V · UniProt Q8VRK8

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