MolNFT v1 · #108935 · protein

Structure of human intelectin-1

4WMQ: “Structure of human intelectin-1”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.39). MolNFT v1 #108935 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4WMQ
Type: protein
Length: 564 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Intelectin-1
UniProt: Q8WWA0
Ligands: CA
Pockets: 1 · best druggability 0.39

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Intelectin-1	protein	283	18% helix, 25% strand	Q8WWA0
B	Intelectin-1	protein	281	17% helix, 26% strand	Q8WWA0

Ligands and binding sites

CA · Calcium ion · metal · 6 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	57	0.39	0.80	19	empty

Interfaces

1 interface between chains.

A–B · 604 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

4WMQ · Structure of Human Intelectin-1 · the same entry in another collection · chain A against A, TM-score 1.00
Q8WWA0 · AlphaFold monomer V2.0 prediction for intelectin-1 (Q8WWA0) · a predicted model of the same protein · chain B 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 Q8WWA0
Elsewhere: RCSB PDB 4WMQ · PDBe 4WMQ · UniProt Q8WWA0

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