Research workbench

E. COLI fumarase mutant - R126A

Analyse E. COLI fumarase mutant - R126A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6OS7
Type: protein
Length: 894 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fumarate hydratase class II
EC: 4.2.1.2
UniProt: P05042
Pockets: 9 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fumarate hydratase class II (EC 4.2.1.2)	protein	454	63% helix, 8% strand	P05042
B	Fumarate hydratase class II (EC 4.2.1.2)	protein	440	60% helix, 8% strand	P05042

Ligands and binding sites

FLC · Citrate anion · additive · 2 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	55	0.70	0.98	15	empty
2	271	0.48	0.73	35	FLC
3	107	0.43	0.78	17	empty
4	66	0.40	0.80	17	empty
5	86	0.37	0.76	18	empty

Interfaces

1 interface between chains.

A–B · 2930 Å² buried · 38 hydrogen bonds · protein-protein

Compared structures

6OS7 · E. coli fumarase mutant - R126A · the same entry in another collection · chain A against A, TM-score 1.00
P05042 · AlphaFold monomer V2.0 prediction for fumarate hydratase class II (P05042) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P05042
Elsewhere: RCSB PDB 6OS7 · PDBe 6OS7 · UniProt P05042

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