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Structure of DUF89 - D291A mutant

Analyse Structure of DUF89 - D291A mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6UMR
Type: protein
Length: 834 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Damage-control phosphatase DUF89
EC: 3.1.3.-, 2.1.1.-
UniProt: Q9H993
Ligands: MG
Pockets: 6 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Damage-control phosphatase DUF89 (EC 3.1.3.-, 2.1.1.-)	protein	418	57% helix, 11% strand	Q9H993
B	Damage-control phosphatase DUF89 (EC 3.1.3.-, 2.1.1.-)	protein	416	56% helix, 11% strand	Q9H993

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

6 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	354	0.64	0.79	45	empty
2	617	0.64	0.74	61	empty
3	383	0.63	0.78	42	empty
4	178	0.47	0.76	22	empty
5	63	0.30	0.74	18	empty

Interfaces

1 interface between chains.

A–B · 425 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

6UMR · Structure of DUF89 - D291A mutant · the same entry in another collection · chain A against A, TM-score 1.00
Q9H993 · AlphaFold monomer V2.0 prediction for damage-control phosphatase ARMT1 (Q9H993) · a predicted model of the same protein · chain B 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
Every structure of UniProt Q9H993
Elsewhere: RCSB PDB 6UMR · PDBe 6UMR · UniProt Q9H993

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