MolNFT v1 · #28494 · protein

Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from ralstonia metallidurans complexed with 4-chloro-3-hydroxyanthranilic acid and O2

1YFW: “Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from ralstonia metallidurans complexed with…”. X-ray diffraction, 3 ligands (4AA, FE, OXY), 2 pockets (best druggability 0.75). MolNFT v1 #28494 on GenesisL1: 3D structure…

PDB: 1YFW
Type: protein
Length: 174 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-hydroxyanthranilate-3,4-dioxygenase
EC: 1.13.11.6
Ligands: 4AA, FE, OXY
Pockets: 2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-hydroxyanthranilate-3,4-dioxygenase (EC 1.13.11.6)	protein	174	16% helix, 37% strand	—

Ligands and binding sites

4AA · 4-chloro-3-hydroxyanthranilic acid · ligand · chains A
FE · Fe (III) ion · metal · 2 copies · chains A
OXY · Oxygen molecule · ion · chains A
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

2 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	69	0.75	0.99	19	FE, OXY, 4AA
2	55	0.30	0.76	11	empty

Compared structures

1YFW · Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans… · 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
Elsewhere: RCSB PDB 1YFW · PDBe 1YFW

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