MolNFT v1 · #177509 · protein

Crystal structure of AF10-ipep complex

7EKN: “Crystal structure of AF10-ipep complex”. X-ray diffraction, 1 pocket (best druggability 0.81). MolNFT v1 #177509 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7EKN
Type: protein
Length: 332 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ipep; Protein af-10
UniProt: Q5JT35
Pockets: 1 · best druggability 0.81

Structure

x-ray diffraction · 6 distinct chains · 93% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, D	Ipep	protein	41	95% helix, 0% strand	—
A	Protein af-10	protein	43	91% helix, 0% strand	Q5JT35
C, E	Protein af-10	protein	42	95% helix, 0% strand	Q5JT35
F	Ipep	protein	42	93% helix, 0% strand	—
H	Ipep	protein	40	95% helix, 0% strand	—
G	Protein af-10	protein	41	88% helix, 0% strand	Q5JT35

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	668	0.81	0.86	75	empty

Interfaces

14 interfaces between chains.

B–A · 1200 Å² buried · 8 hydrogen bonds · protein-protein
D–C · 1174 Å² buried · 8 hydrogen bonds · protein-protein
F–E · 1116 Å² buried · 8 hydrogen bonds · protein-protein
H–G · 1077 Å² buried · 8 hydrogen bonds · protein-protein
A–E · 333 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

7EKN · Crystal structure of AF10-ipep complex · the same entry in another collection · chain B against B, 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 Q5JT35
Elsewhere: RCSB PDB 7EKN · PDBe 7EKN · UniProt Q5JT35

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