Research workbench

Monotim mutant RMM0-1, dimeric form.

Analyse Monotim mutant RMM0-1, dimeric form. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2WSQ
Type: protein
Length: 968 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Triose phosphate isomerase, glycosomal
EC: 5.3.1.1
UniProt: P04789
Ligands: SO4
Pockets: 5 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Triose phosphate isomerase, glycosomal (EC 5.3.1.1)	protein	242	50% helix, 17% strand	P04789

Ligands and binding sites

SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D

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

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	603	0.75	0.82	61	SO4
2	979	0.74	0.77	95	empty
3	572	0.73	0.81	63	SO4
4	268	0.61	0.80	40	empty
5	324	0.56	0.75	29	empty

Interfaces

5 interfaces between chains.

B–C · 1059 Å² buried · 10 hydrogen bonds · protein-protein
A–D · 1047 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 154 Å² buried · 1 hydrogen bond · protein-protein
A–C · 147 Å² buried · 1 hydrogen bond · protein-protein
B–D · 145 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

2WSQ · MonoTIM mutant RMM0-1, dimeric form. · the same entry in another collection · chain D against D, TM-score 1.00
4TIM · Crystallographic and molecular modeling studies on trypanosomal triosephosphate… · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P04789
Elsewhere: RCSB PDB 2WSQ · PDBe 2WSQ · UniProt P04789

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