MolNFT v1 · #12954 · protein

Rat mannose binding protein a complexed with a-me-man

1KWU · Mannose-binding protein a: “Rat mannose binding protein a complexed with a-me-man”. X-ray diffraction, 3 ligands (MMA, CA, CL), 4 pockets (best druggability 0.66). MolNFT v1 #12954 on GenesisL1: 3D structure, binding sites and…

PDB: 1KWU
Type: protein
Length: 447 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mannose-binding protein a
UniProt: P19999
Ligands: MMA, CA, CL
Pockets: 4 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Mannose-binding protein a	protein	149	36% helix, 24% strand	P19999

Ligands and binding sites

MMA · methyl alpha-D-mannopyranoside · sugar · 3 copies · chains A, B, C
CA · Calcium ion · metal · 10 copies · chains A, B, C
CL · Chloride ion · ion · 3 copies · chains A, B, C

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

Pockets

4 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	631	0.66	0.75	63	empty
2	274	0.56	0.77	30	empty
3	272	0.56	0.77	30	empty
4	200	0.48	0.75	27	empty

Interfaces

3 interfaces between chains.

B–C · 1141 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 1075 Å² buried · 8 hydrogen bonds · protein-protein
A–C · 1045 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

1KWU · Rat mannose binding protein A complexed with a-Me-Man · the same entry in another collection · chain A against A, TM-score 1.00
P19999 · AlphaFold monomer V2.0 prediction for mannose-binding protein a (P19999) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P19999
Elsewhere: RCSB PDB 1KWU · PDBe 1KWU · UniProt P19999

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.