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Crystal structure of cc-chemokine 18

Analyse Crystal structure of cc-chemokine 18 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4MHE
Type: protein
Length: 259 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: C-C motif chemokine 18
UniProt: P55774
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 23% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	C-C motif chemokine 18	protein	69	26% helix, 26% strand	P55774
C	C-C motif chemokine 18	protein	61	20% helix, 26% strand	P55774
D	C-C motif chemokine 18	protein	60	22% helix, 27% strand	P55774

Ligands and binding sites

ACT · Acetate ion · additive · chains A, B, D

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

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	590	0.66	0.76	51	ACT
2	148	0.48	0.78	23	empty
3	155	0.46	0.76	22	empty

Interfaces

5 interfaces between chains.

B–C · 562 Å² buried · 17 hydrogen bonds · protein-protein
A–D · 549 Å² buried · 14 hydrogen bonds · protein-protein
B–D · 527 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 522 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 72 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

4MHE · Crystal structure of CC-chemokine 18 · the same entry in another collection · chain D against D, TM-score 1.00
P55774 · AlphaFold monomer V2.0 prediction for C-C motif chemokine 18 (P55774) · a predicted model of the same protein · chain D against A, TM-score 0.94

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 P55774
Elsewhere: RCSB PDB 4MHE · PDBe 4MHE · UniProt P55774

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