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Crystal structure of a putative formate dehydrogenase accessory protein from desulfotalea psychrophila

Analyse Crystal structure of a putative formate dehydrogenase accessory protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2PW9
Type: protein
Length: 919 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative formate dehydrogenase accessory protein
UniProt: Q6AMB9
Ligands: SO4
Pockets: 6 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 30% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative formate dehydrogenase accessory protein	protein	231	31% helix, 37% strand	Q6AMB9
B	Putative formate dehydrogenase accessory protein	protein	230	31% helix, 38% strand	Q6AMB9
C	Putative formate dehydrogenase accessory protein	protein	221	29% helix, 38% strand	Q6AMB9
D	Putative formate dehydrogenase accessory protein	protein	237	30% helix, 36% strand	Q6AMB9

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B, C, D

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	1092	0.80	0.81	89	SO4
2	972	0.76	0.79	79	SO4
3	319	0.55	0.75	31	empty
4	105	0.35	0.73	16	empty
5	92	0.32	0.73	21	empty

Interfaces

4 interfaces between chains.

A–B · 1981 Å² buried · 39 hydrogen bonds · protein-protein
C–D · 1908 Å² buried · 38 hydrogen bonds · protein-protein
A–D · 340 Å² buried · 4 hydrogen bonds · protein-protein
B–D · 20 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

2PW9 · Crystal structure of a putative formate dehydrogenase accessory protein from Desulfotalea… · 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
Every structure of UniProt Q6AMB9
Elsewhere: RCSB PDB 2PW9 · PDBe 2PW9 · UniProt Q6AMB9

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