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Crystal structure of the tick evasin eva-P974 complexed to human chemokine CCL7

Analyse Crystal structure of the tick evasin eva-P974 complexed to human chemokine CCL7 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7S58
Type: protein
Length: 608 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Evasin P974; C-C motif chemokine 7
UniProt: A0A023FDY8, P80098
Pockets: 7 · best druggability 0.71

Structure

x-ray diffraction · 7 distinct chains · 17% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Evasin P974	protein	84	7% helix, 49% strand	A0A023FDY8
C	Evasin P974	protein	84	7% helix, 51% strand	A0A023FDY8
D	Evasin P974	protein	85	11% helix, 52% strand	A0A023FDY8
E	C-C motif chemokine 7	protein	70	27% helix, 29% strand	P80098
F	C-C motif chemokine 7	protein	65	22% helix, 28% strand	P80098
J	C-C motif chemokine 7	protein	69	28% helix, 29% strand	P80098
H	C-C motif chemokine 7	protein	67	24% helix, 27% strand	P80098

Pockets

7 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	505	0.71	0.81	77	empty
2	456	0.66	0.79	57	empty
3	417	0.65	0.79	57	empty
4	71	0.42	0.81	17	empty
5	152	0.40	0.73	20	empty

Interfaces

15 interfaces between chains.

C–J · 960 Å² buried · 9 hydrogen bonds · protein-protein
A–H · 951 Å² buried · 10 hydrogen bonds · protein-protein
D–F · 907 Å² buried · 12 hydrogen bonds · protein-protein
B–E · 885 Å² buried · 10 hydrogen bonds · protein-protein
E–J · 338 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 disulfide (disulfide).

Compared structures

7S58 · Crystal Structure of the tick evasin EVA-P974 complexed to human chemokine CCL7 · the same entry in another collection · chain H against H, TM-score 1.00
P80098 · AlphaFold monomer V2.0 prediction for C-C motif chemokine 7 (P80098) · a predicted model of the same protein · chain F against A, TM-score 0.90

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 A0A023FDY8
Every structure of UniProt P80098
Elsewhere: RCSB PDB 7S58 · PDBe 7S58 · UniProt A0A023FDY8 · UniProt P80098

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