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Crystal structure of human gitrl

Analyse Crystal structure of human gitrl in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3B94
Type: protein
Length: 427 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tumor necrosis factor ligand superfamily member 18
UniProt: Q9UNG2
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 0% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tumor necrosis factor ligand superfamily member 18	protein	102	0% helix, 52% strand	Q9UNG2
B	Tumor necrosis factor ligand superfamily member 18	protein	113	0% helix, 52% strand	Q9UNG2
C	Tumor necrosis factor ligand superfamily member 18	protein	100	0% helix, 51% strand	Q9UNG2
D	Tumor necrosis factor ligand superfamily member 18	protein	112	0% helix, 50% strand	Q9UNG2

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	656	0.74	0.81	47	empty
2	69	0.38	0.78	16	empty
3	71	0.34	0.75	17	empty

Interfaces

4 interfaces between chains.

A–C · 649 Å² buried · 1 hydrogen bond · protein-protein
B–C · 635 Å² buried · 3 hydrogen bonds · protein-protein
A–B · 544 Å² buried · 6 hydrogen bonds · protein-protein
B–D · 371 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

3B94 · Crystal structure of human GITRL · the same entry in another collection · chain D against D, TM-score 1.00
Q9UNG2 · AlphaFold monomer V2.0 prediction for tumor necrosis factor ligand superfamily member 18… · a predicted model of the same protein · chain D against A, TM-score 0.96

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 Q9UNG2
Elsewhere: RCSB PDB 3B94 · PDBe 3B94 · UniProt Q9UNG2

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