MolNFT v1 · #178726 · protein

Ruminococcus bromii amylase AMY5 (RBR_07800)

7JJT · Alpha-amylase: “Ruminococcus bromii amylase AMY5 (RBR_07800)”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.56). MolNFT v1 #178726 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7JJT
Type: protein
Length: 513 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-amylase
EC: 3.2.1.1
UniProt: A0A2N0UXJ4
Ligands: CA
Pockets: 4 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha-amylase (EC 3.2.1.1)	protein	513	32% helix, 18% strand	A0A2N0UXJ4

Ligands and binding sites

CA · Calcium ion · metal · 3 copies · chains A
EDO · 1,2-ethanediol · additive · 21 copies · chains A
FMT · Formic acid · additive · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

4 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	235	0.56	0.79	45	empty
2	55	0.51	0.88	19	EDO
3	115	0.45	0.78	22	EDO
4	56	0.41	0.82	18	empty

Compared structures

7JJT · Ruminococcus bromii amylase Amy5 (RBR_07800) · 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 A0A2N0UXJ4
Elsewhere: RCSB PDB 7JJT · PDBe 7JJT · UniProt A0A2N0UXJ4

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