MolNFT v1 · #170145 · protein

Crystal structure of a de novo designed parallel four-helix coiled coil, 4-ke-4

6XY1: “Crystal structure of a de novo designed parallel four-helix coiled coil, 4-ke-4”. X-ray diffraction, 2 ligands (ACE, NH2). MolNFT v1 #170145 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6XY1
Type: protein
Length: 120 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 4-ke-4
Ligands: ACE, NH2

Structure

x-ray diffraction · 1 distinct chain · 93% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	4-ke-4	protein	30	93% helix, 0% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · 4 copies · chains A, B, C, D
NH2 · Amino group · ion · chains B

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

Interfaces

6 interfaces between chains.

B–D · 766 Å² buried · 10 hydrogen bonds · protein-protein
A–C · 743 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 738 Å² buried · 9 hydrogen bonds · protein-protein
C–D · 591 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 77 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

6XY1 · Crystal structure of a de novo designed parallel four-helix coiled coil, 4-KE-4. · the same entry in another collection · chain A against A, 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
Elsewhere: RCSB PDB 6XY1 · PDBe 6XY1

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