MolNFT v1 · #19335 · protein

Yeast phosphoglycerate mutase-3PG complex structure to 1.7 a

1QHF · Protein (phosphoglycerate mutase): “Yeast phosphoglycerate mutase-3PG complex structure to 1.7 a”. X-ray diffraction, 2 ligands (3PG, SO4), 6 pockets (best druggability 0.75). MolNFT v1 #19335 on GenesisL1: 3D structure, binding…

PDB: 1QHF
Type: protein
Length: 480 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (phosphoglycerate mutase)
EC: 5.4.2.1
UniProt: P00950
Ligands: 3PG, SO4
Pockets: 6 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Protein (phosphoglycerate mutase) (EC 5.4.2.1)	protein	240	41% helix, 13% strand	P00950

Ligands and binding sites

3PG · 3-phosphoglyceric acid · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 4 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	219	0.75	0.90	33	SO4, 3PG
2	254	0.74	0.89	36	SO4, 3PG
3	109	0.46	0.79	16	empty
4	53	0.41	0.82	17	empty
5	117	0.40	0.75	23	empty

Interfaces

1 interface between chains.

A–B · 1004 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

1QHF · Yeast phosphoglycerate mutase-3PG complex structure to 1.7 a · the same entry in another collection · chain A against A, TM-score 1.00
P00950 · AlphaFold monomer V2.0 prediction for phosphoglycerate mutase 1 (P00950) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P00950
Elsewhere: RCSB PDB 1QHF · PDBe 1QHF · UniProt P00950

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