MolNFT v1 · #105595 · protein

CPMNBP1 with mannotriose bound

4R9G · MBP1: “CPMNBP1 with mannotriose bound”. X-ray diffraction, 3 ligands (BMA, MAN, ZN), 9 pockets (best druggability 0.85). MolNFT v1 #105595 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4R9G
Type: protein
Length: 788 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MBP1
UniProt: L0E2M2
Ligands: BMA, MAN, ZN
Pockets: 9 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	MBP1	protein	394	44% helix, 20% strand	L0E2M2

Ligands and binding sites

BMA · beta-D-mannopyranose · sugar · 4 copies · chains A, B
MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A, B
ZN · Zinc ion · metal · 8 copies · chains A, B

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

Pockets

9 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	768	0.85	0.88	111	BMA, MAN
2	107	0.60	0.86	21	MAN
3	62	0.50	0.86	17	empty
4	143	0.47	0.78	28	empty
5	64	0.39	0.79	13	empty

Interfaces

1 interface between chains.

A–B · 948 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4R9G · CpMnBP1 with Mannotriose Bound · 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 L0E2M2
Elsewhere: RCSB PDB 4R9G · PDBe 4R9G · UniProt L0E2M2

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