MolNFT v1 · #176923 · protein

Staphylothermus marinus amylopullulanase -smapu

7E1Y · Glycoside hydrolase, family 57: “Staphylothermus marinus amylopullulanase -smapu”. Electron microscopy, 20 pockets (best druggability 0.72). MolNFT v1 #176923 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7E1Y
Type: protein
Length: 4,304 residues
Chains: 8
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycoside hydrolase, family 57
UniProt: A3DPD7
Pockets: 20 · best druggability 0.72

Structure

electron microscopy · 1 distinct chain · 37% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H	Glycoside hydrolase, family 57	protein	538	37% helix, 24% strand	A3DPD7

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	52	0.72	0.98	20	empty
2	414	0.71	0.82	38	empty
3	398	0.70	0.82	39	empty
4	409	0.70	0.81	39	empty
5	304	0.69	0.83	42	empty

Interfaces

16 interfaces between chains.

D–F · 2075 Å² buried · 19 hydrogen bonds · protein-protein
G–H · 2073 Å² buried · 19 hydrogen bonds · protein-protein
A–E · 2070 Å² buried · 21 hydrogen bonds · protein-protein
B–C · 2043 Å² buried · 18 hydrogen bonds · protein-protein
D–H · 491 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

7E1Y · Staphylothermus marinus amylopullulanase -SmApu · 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 A3DPD7
Elsewhere: RCSB PDB 7E1Y · PDBe 7E1Y · UniProt A3DPD7

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