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ECAII(D90T,K162T) mutant in complex with citrate at pH 5.6

Analyse ECAII(D90T,K162T) mutant in complex with citrate at pH 5.6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6NX7
Type: protein
Length: 624 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.15
Source: Escherichia coli (strain K12)
Molecule: L-asparaginase 2
EC: 3.5.1.1
UniProt: P00805
Pockets: 6 · best druggability 0.48

Structure

x-ray diffraction · resolution 2.15 · 1 distinct chain · 34% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	L-asparaginase 2 (EC 3.5.1.1)	protein	312	34% helix, 21% strand	P00805

Ligands and binding sites

ACY · Acetic acid · additive · chains A
CIT · Citric acid · additive · chains 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	134	0.48	0.79	20	empty
2	173	0.48	0.76	31	empty
3	115	0.46	0.79	20	empty
4	62	0.29	0.75	18	CIT
5	60	0.28	0.74	19	ACY

Interfaces

1 interface between chains.

A–B · 991 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6NX7 · ECAII(D90T,K162T) mutant in complex with citrate at pH 5.6 · the same entry in another collection · chain A against A, TM-score 1.00
P00805 · AlphaFold monomer V2.0 prediction for L-asparaginase 2 (P00805) · a predicted model of the same protein · chain B 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 P00805
Elsewhere: RCSB PDB 6NX7 · PDBe 6NX7 · UniProt P00805

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