MolNFT v1 · #95107 · protein

Crystal structure of maleylacetoacetate isomerase from anaeromyxobacter dehalogenans 2CP-1, target efi-507175

4IGJ: “Crystal structure of maleylacetoacetate isomerase from anaeromyxobacter dehalogenans 2CP-1, target efi-507175”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.76). MolNFT v1 #95107 on GenesisL1: 3D structure…

PDB: 4IGJ
Type: protein
Length: 422 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Maleylacetoacetate isomerase
UniProt: B8J605
Ligands: SO4
Pockets: 3 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 56% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Maleylacetoacetate isomerase	protein	212	55% helix, 10% strand	B8J605
B	Maleylacetoacetate isomerase	protein	210	57% helix, 11% strand	B8J605

Ligands and binding sites

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

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

Pockets

3 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	560	0.76	0.83	44	SO4
2	783	0.72	0.78	55	SO4
3	113	0.41	0.75	15	empty

Interfaces

1 interface between chains.

A–B · 1931 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

4IGJ · Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans… · 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 B8J605
Elsewhere: RCSB PDB 4IGJ · PDBe 4IGJ · UniProt B8J605

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