MolNFT v1 · #93608 · protein

Crystal structure of a parallel 4-helix coiled coil cc-hex-II

4H7R: “Crystal structure of a parallel 4-helix coiled coil cc-hex-II”. X-ray diffraction, 2 ligands (ACE, NH2). MolNFT v1 #93608 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4H7R
Type: protein
Length: 124 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cc-hex-II
Ligands: ACE, NH2

Structure

x-ray diffraction · 1 distinct chain · 84% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Cc-hex-II	protein	31	84% helix, 0% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · 4 copies · chains A, B, C, D
NH2 · Amino group · ion · 4 copies · chains A, B, C, D
DIO · 1,4-diethylene dioxide · additive · 4 copies · chains A, B, C, D
GOL · Glycerol · additive · 2 copies · chains B, C, D

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

Interfaces

6 interfaces between chains.

B–C · 717 Å² buried · 5 hydrogen bonds · protein-protein
A–D · 711 Å² buried · 4 hydrogen bonds · protein-protein
A–B · 693 Å² buried · 3 hydrogen bonds · protein-protein
C–D · 677 Å² buried · 4 hydrogen bonds · protein-protein
B–D · 46 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

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

Compared structures

4H7R · Crystal structure of a parallel 4-helix coiled coil CC-Hex-II · 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 4H7R · PDBe 4H7R

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