MolNFT v1 · #176631 · protein

Crystal structure of AMUC_1102 from akkermansia muciniphila

7DSZ: “Crystal structure of AMUC_1102 from akkermansia muciniphila”. X-ray diffraction, 1 ligand (CL), 8 pockets (best druggability 0.85). MolNFT v1 #176631 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7DSZ
Type: protein
Length: 568 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: AMUC_1102
UniProt: B2UR43
Ligands: CL
Pockets: 8 · best druggability 0.85

Structure

x-ray diffraction · 3 distinct chains · 11% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	AMUC_1102	protein	186	11% helix, 46% strand	B2UR43
B	AMUC_1102	protein	190	11% helix, 45% strand	B2UR43
C	AMUC_1102	protein	192	10% helix, 45% strand	B2UR43

Ligands and binding sites

CL · Chloride ion · ion · 5 copies · chains A, B, C

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1070	0.85	0.86	133	empty
2	52	0.66	0.95	15	empty
3	94	0.51	0.83	16	empty
4	149	0.49	0.78	22	empty
5	140	0.44	0.76	21	empty

Interfaces

3 interfaces between chains.

A–B · 1517 Å² buried · 23 hydrogen bonds · protein-protein
B–C · 1488 Å² buried · 23 hydrogen bonds · protein-protein
A–C · 1294 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

7DSZ · Crystal structure of Amuc_1102 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 B2UR43
Elsewhere: RCSB PDB 7DSZ · PDBe 7DSZ · UniProt B2UR43

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