MolNFT v1 · #125224 · protein

Structure of arylesterase

5L2P: “Structure of arylesterase”. X-ray diffraction, 15 pockets (best druggability 0.83). MolNFT v1 #125224 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5L2P
Type: protein
Length: 1,218 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Arylesterase
EC: 3.1.1.2, 3.1.8.1
UniProt: B5BLW5
Pockets: 15 · best druggability 0.83

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Arylesterase (EC 3.1.1.2, 3.1.8.1)	protein	306	41% helix, 18% strand	B5BLW5
B	Arylesterase (EC 3.1.1.2, 3.1.8.1)	protein	305	42% helix, 18% strand	B5BLW5
C	Arylesterase (EC 3.1.1.2, 3.1.8.1)	protein	301	42% helix, 17% strand	B5BLW5

Pockets

15 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	538	0.83	0.89	67	empty
2	495	0.82	0.88	65	empty
3	495	0.82	0.88	69	empty
4	182	0.81	0.97	24	empty
5	683	0.80	0.84	63	empty

Interfaces

6 interfaces between chains.

C–D · 1413 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 1340 Å² buried · 16 hydrogen bonds · protein-protein
A–D · 1191 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 1189 Å² buried · 10 hydrogen bonds · protein-protein
A–C · 398 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5L2P · Structure of arylesterase · the same entry in another collection · chain D against D, TM-score 1.00
B5BLW5 · AlphaFold monomer V2.0 prediction for arylesterase (B5BLW5) · a predicted model of the same protein · chain C against A, TM-score 0.98

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 B5BLW5
Elsewhere: RCSB PDB 5L2P · PDBe 5L2P · UniProt B5BLW5

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