MolNFT v1 · #155528 · protein

Crystal structure of the core domain of AMUC_1100 from akkermansia muciniphila

6LAF: “Crystal structure of the core domain of AMUC_1100 from akkermansia muciniphila”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.62). MolNFT v1 #155528 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6LAF
Type: protein
Length: 358 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: AMUC_1100
UniProt: B2UR41
Ligands: SO4
Pockets: 2 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	AMUC_1100	protein	171	42% helix, 23% strand	B2UR41
B	AMUC_1100	protein	187	37% helix, 22% strand	B2UR41

Ligands and binding sites

SO4 · Sulfate ion · ion · 5 copies · chains A, B

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

Pockets

2 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	261	0.62	0.80	38	SO4
2	221	0.61	0.81	23	empty

Interfaces

1 interface between chains.

A–B · 1026 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

6LAF · Crystal structure of the core domain of Amuc_1100 from Akkermansia muciniphila · 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 B2UR41
Elsewhere: RCSB PDB 6LAF · PDBe 6LAF · UniProt B2UR41

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