MolNFT v1 · #57050 · protein

Crystal structure of the hsac extradiol dioxygenase from M. tuberculosis

2ZYQ · Probable biphenyl-2,3-diol 1,2-dioxygenase bphc: “Crystal structure of the hsac extradiol dioxygenase from M. tuberculosis”. X-ray diffraction, 1 ligand (FE2), 4 pockets (best druggability 0.59). MolNFT v1 #57050 on GenesisL1: 3D…

PDB: 2ZYQ
Type: protein
Length: 592 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable biphenyl-2,3-diol 1,2-dioxygenase bphc
EC: 1.13.11.39
UniProt: P96850
Ligands: FE2
Pockets: 4 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Probable biphenyl-2,3-diol 1,2-dioxygenase bphc (EC 1.13.11.39)	protein	296	21% helix, 35% strand	P96850

Ligands and binding sites

FE2 · Fe (II) ion · metal · 2 copies · chains A, B
TAR · D(-)-tartaric acid · additive · chains B

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

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	209	0.59	0.80	28	FE2
2	201	0.57	0.80	29	empty
3	50	0.56	0.90	16	empty
4	181	0.52	0.78	30	empty

Interfaces

1 interface between chains.

A–B · 496 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

2ZYQ · Crystal structure of the HsaC extradiol dioxygenase from M. tuberculosis · the same entry in another collection · chain B against B, 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 P96850
Elsewhere: RCSB PDB 2ZYQ · PDBe 2ZYQ · UniProt P96850

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