MolNFT v1 · #40865 · protein

H-FICOLIN

2J64 · Ficolin-3: “H-FICOLIN”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.73). MolNFT v1 #40865 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2J64
Type: protein
Length: 633 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ficolin-3
UniProt: O75636
Ligands: CA
Pockets: 2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Ficolin-3	protein	211	16% helix, 28% strand	O75636

Ligands and binding sites

CA · Calcium ion · metal · 3 copies · chains A, B, C

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	757	0.73	0.79	83	empty
2	219	0.52	0.77	27	empty

Interfaces

3 interfaces between chains.

A–B · 507 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 436 Å² buried · 10 hydrogen bonds · protein-protein
A–C · 425 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

2J64 · H-ficolin · the same entry in another collection · chain A against A, TM-score 1.00
O75636 · AlphaFold monomer V2.0 prediction for ficolin-3 (O75636) · a predicted model of the same protein · 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 O75636
Elsewhere: RCSB PDB 2J64 · PDBe 2J64 · UniProt O75636

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