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Crystal structure of an alternating D-alanyl, L-homoalanyl pna

Analyse Crystal structure of an alternating D-alanyl, L-homoalanyl pna in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3C1P
Type: protein
Length: 29 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peptide nucleic acid dly-hgl-agd-lhc-agd-lhc-cud-lys
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Peptide nucleic acid dly-hgl-agd-lhc-agd-lhc-cud-lys	protein	7	0% helix, 0% strand	—
D	Peptide nucleic acid dly-hgl-agd-lhc-agd-lhc-cud-lys	protein	8	0% helix, 0% strand	—

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	389	0.51	0.72	23	empty

Interfaces

4 interfaces between chains.

C–D · 278 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 265 Å² buried · 17 hydrogen bonds · protein-protein
B–D · 169 Å² buried · 7 hydrogen bonds · protein-protein
A–C · 160 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified, 4 d-amino (nonstandard, D-amino acid).

Compared structures

3C1P · Crystal Structure of an alternating D-Alanyl, L-Homoalanyl PNA · 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 3C1P · PDBe 3C1P

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