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Structure of de novo designed beta sheet heterodimer LHD29A53/B53

Analyse Structure of de novo designed beta sheet heterodimer LHD29A53/B53 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7MWQ
Type: protein
Length: 816 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: LHD29A53; LHD29B53
Pockets: 7 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 71% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	LHD29A53	protein	204	70% helix, 9% strand	—
B, D	LHD29B53	protein	204	72% helix, 8% strand	—

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	282	0.59	0.79	40	empty
2	259	0.54	0.76	38	empty
3	112	0.46	0.79	19	empty
4	212	0.46	0.74	31	empty
5	59	0.36	0.78	14	empty

Interfaces

5 interfaces between chains.

A–D · 1054 Å² buried · 25 hydrogen bonds · protein-protein
A–C · 532 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 494 Å² buried · 5 hydrogen bonds · protein-protein
C–D · 485 Å² buried · 4 hydrogen bonds · protein-protein
A–B · 454 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

7MWQ · Structure of De Novo designed beta sheet heterodimer LHD29A53/B53 · 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 7MWQ · PDBe 7MWQ

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