MolNFT v1 · #54094 · protein

Structural determinants for improved thermal stability of designed ankyrin repeat proteins with a redesigned C- capping module.

2XEE · NI3C darpin MUTANT5: “Structural determinants for improved thermal stability of designed ankyrin repeat proteins with a redesigned…”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #54094 on GenesisL1: 3D…

PDB: 2XEE
Type: protein
Length: 628 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NI3C darpin MUTANT5
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	NI3C darpin MUTANT5	protein	157	58% helix, 0% strand	—

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	913	0.78	0.80	91	empty
2	646	0.70	0.78	63	empty
3	50	0.55	0.90	15	empty
4	95	0.43	0.79	20	empty

Interfaces

5 interfaces between chains.

B–D · 653 Å² buried · 12 hydrogen bonds · protein-protein
A–C · 599 Å² buried · 8 hydrogen bonds · protein-protein
C–D · 498 Å² buried · 5 hydrogen bonds · protein-protein
A–D · 159 Å² buried · 1 hydrogen bond · protein-protein
B–C · 130 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

2XEE · Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat… · 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 2XEE · PDBe 2XEE

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