MolNFT v1 · #134967 · protein

Crystal structure of human 3HAO with zinc bound in the active site

5TKQ · 3-hydroxyanthranilate 3,4-dioxygenase: “Crystal structure of human 3HAO with zinc bound in the active site”. X-ray diffraction, 2 ligands (ZN, SO4), 3 pockets (best druggability 0.70). MolNFT v1 #134967 on GenesisL1: 3D structure…

PDB: 5TKQ
Type: protein
Length: 283 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
UniProt: P46952
Ligands: ZN, SO4
Pockets: 3 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-hydroxyanthranilate 3,4-dioxygenase (EC 1.13.11.6)	protein	283	17% helix, 41% strand	P46952

Ligands and binding sites

ZN · Zinc ion · metal · chains A
SO4 · Sulfate ion · ion · 5 copies · chains A

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

Pockets

3 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	288	0.70	0.85	41	SO4
2	62	0.34	0.76	15	empty
3	55	0.26	0.73	20	empty

Compared structures

5TKQ · Crystal structure of human 3HAO with zinc bound in the active site · the same entry in another collection · chain A against A, TM-score 1.00
P46952 · AlphaFold monomer V2.0 prediction for 3-hydroxyanthranilate 3,4-dioxygenase (P46952) · a predicted model of the same protein · chain A 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 P46952
Elsewhere: RCSB PDB 5TKQ · PDBe 5TKQ · UniProt P46952

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